A0A3Q0KGY5_SCHMA Loading...

Aspartate aminotransferase

AlphaFold DB (A0A5K4EG06), UniProt , Accession A0A3Q0KGY5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 417 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.7	Very low	51.1	Low	242 Å²	242	150.2 Å²	150.2	100%	1.192	80%	0.795	S	S	*	*				0	152.8	0	-78.4	-174.8	-179.1	0	0	109.1
2	P	49.5	Very low	51.7	Low	118 Å²	118	145.5 Å²	145.5	77%	0.766	79%	0.794	S	S	*	*			cis	-128.6	164.5	-14.6	31.2	-11.5	0	0	0	114.3
3	S	53.2	Low	52.1	Low	84 Å²	84	152.2 Å²	152.2	59%	0.587	80%	0.8	S	S	*	*			trans	-49.3	130.1	168.2	162.9	0	0	0	0	113	F5	S3-F5 PolarHBondContact O-N 3.23Å
4	K	54.3	Low	52.9	Low	206 Å²	206	146.2 Å²	146.2	90%	0.896	79%	0.793	S	S	*	*			trans	-79.2	92.7	168	-72.4	-176.5	177.7	-179.6	0	108.8	S6	K4-S6 PolarHBondContact O-N 3.19Å
5	F	53.3	Low	54.1	Low	182 Å²	182	148.3 Å²	148.3	80%	0.798	80%	0.802	S	S	*	*			trans	-68	109.9	165.2	-79.8	-85.7	0	0	0	109.1	S3 V7	S3-F5 PolarHBondContact O-N 3.23Å; F5-V7 PolarHBondContact O-N 3.14Å
6	S	53.1	Low	55.7	Low	92 Å²	92	144.6 Å²	144.6	64%	0.643	79%	0.791	S	S	*	*			trans	-72.4	106.6	165.1	177.2	0	0	0	0	107.8	K4 F8	K4-S6 PolarHBondContact O-N 3.19Å; S6-F8 PolarHBondContact O-N 3.26Å; S6-F8 VanDerWaalsContact O-N 3.14Å
7	V	52.2	Low	57.7	Low	120 Å²	120	140.1 Å²	140.1	73%	0.727	77%	0.772	S	S	*	*			trans	-74	100.3	170.4	-178.5	0	0	0	0	106.7	F5 T9	F5-V7 PolarHBondContact O-N 3.14Å; V7-T9 PolarHBondContact O-N 3.04Å
8	F	52.7	Low	59.5	Low	171 Å²	171	141.2 Å²	141.2	75%	0.75	77%	0.771	S	S	*	*			trans	-65.5	101.4	164.7	-82.3	-88.5	0	0	0	108	S6 Y10	S6-F8 PolarHBondContact O-N 3.26Å; S6-F8 VanDerWaalsContact O-N 3.14Å; F8-Y10 VanDerWaalsContact C-N 3.34Å; F8-Y10 PolarHBondContact O-N 2.99Å
9	T	50.5	Low	61.2	Low	130 Å²	130	143.6 Å²	143.6	80%	0.798	77%	0.767	S	S	*	*			trans	-65.8	97.5	162.9	26.1	0	0	0	0	107.7	V7 A11	V7-T9 PolarHBondContact O-N 3.04Å; T9-A11 VanDerWaalsContact C-N 3.3Å; T9-A11 PolarHBondContact O-N 2.89Å
10	Y	52.4	Low	62.7	Low	218 Å²	218	142.5 Å²	142.5	86%	0.855	76%	0.761	S	S	*	*			trans	-59.9	100	160.3	-82.7	-90.7	0	0	0	107	F8 A12	F8-Y10 VanDerWaalsContact C-N 3.34Å; F8-Y10 PolarHBondContact O-N 2.99Å; Y10-A12 PolarHBondContact O-N 2.85Å
11	A	55.6	Low	64	Low	89 Å²	89	141.9 Å²	141.9	74%	0.736	75%	0.754	S	S	*	*			trans	-60.3	98	159.7	0	0	0	0	0	105.7	T9 R13	T9-A11 VanDerWaalsContact C-N 3.3Å; T9-A11 PolarHBondContact O-N 2.89Å; A11-R13 PolarHBondContact O-N 2.76Å
12	A	57.7	Low	66.8	Low	94 Å²	94	134.5 Å²	134.5	78%	0.777	72%	0.722	S	S	*	*			trans	-58.4	95.4	167	0	0	0	0	0	105.9	Y10 G14	Y10-A12 PolarHBondContact O-N 2.85Å; A12-G14 PolarHBondContact O-N 2.99Å
13	R	57.6	Low	68.9	Low	233 Å²	233	138 Å²	138	88%	0.879	73%	0.725	S	S	*	*			trans	-58.1	97.5	161.3	-79.6	-177.1	176.8	178.3	-0.7	104	A11 L15	A11-R13 PolarHBondContact O-N 2.76Å; R13-L15 PolarHBondContact O-N 2.8Å
14	G	63.5	Low	70.6	Confident	68 Å²	68	142.2 Å²	142.2	70%	0.701	74%	0.74	S	S	*	*			trans	-49.5	118.5	173	0	0	0	0	0	106.2	A12 S16	A12-G14 PolarHBondContact O-N 2.99Å; G14-S16 VanDerWaalsContact C-N 3.31Å; G14-S16 PolarHBondContact O-N 3.19Å
15	L	70.3	Confident	72.1	Confident	177 Å²	177	134.8 Å²	134.8	93%	0.927	72%	0.722	S	S	*	*			trans	-57.7	100.9	178	-72.7	163.2	0	0	0	106.4	R13 S17	R13-L15 PolarHBondContact O-N 2.8Å; L15-S17 PolarHBondContact O-N 2.79Å
16	S	80.3	Confident	73.4	Confident	90 Å²	90	131.9 Å²	131.9	63%	0.629	72%	0.722	S	S	*	*			trans	-66.6	119.6	176.6	60.5	0	0	0	0	106.9	G14 H18	G14-S16 VanDerWaalsContact C-N 3.31Å; G14-S16 PolarHBondContact O-N 3.19Å; S16-H18 PolarHBondContact O-N 2.99Å
17	S	88.5	Confident	74.4	Confident	67 Å²	67	133 Å²	133	47%	0.469	73%	0.727	S	S	.	*			trans	-53.6	131.1	176.6	173.1	0	0	0	0	109.9	L15 W19 N20	L15-S17 PolarHBondContact O-N 2.79Å; S17-W19 PolarHBondContact O-N 3.29Å; S17-W19 PolarHBondContact OG-N 3.1Å; S17-W19 VanDerWaalsContact OG-N 3.15Å; S17-N20 WeakPolarHBondContact O-CB 3.49Å; S17-N20 VanDerWaalsContact O-CG 3.31Å; S17-N20 PolarHBondContact O-N 3.1Å; S17-N20 VanDerWaalsContact O-N 3.1Å; S17-N20 PolarHBondContact O-OD1 3.35Å
18	H	91	Very high	75.6	Confident	161 Å²	161	131.4 Å²	131.4	75%	0.745	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.2	-17.4	172.3	-69.9	-66.1	0	0	0	112.6	S16 H21	S16-H18 PolarHBondContact O-N 2.99Å; H18-H21 PolarHBondContact O-CE1 2.89Å; H18-H21 PolarHBondContact O-ND1 3.15Å; H18-H21 VanDerWaalsContact O-ND1 3.1Å
19	W	92.1	Very high	76.8	Confident	186 Å²	186	127 Å²	127	71%	0.705	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.4	7.9	-177.3	-51.5	116.1	0	0	0	114.1	S17 H21 V22	S17-W19 PolarHBondContact O-N 3.29Å; S17-W19 PolarHBondContact OG-N 3.1Å; S17-W19 VanDerWaalsContact OG-N 3.15Å; W19-H21 PolarHBondContact O-N 2.96Å; W19-V22 HydrophobicContact CB-CG2 4.07Å; W19-V22 HydrophobicContact CD2-CG2 4.42Å; W19-V22 HydrophobicContact CE3-CG2 3.62Å; W19-V22 HydrophobicContact CZ3-CG2 4.46Å; W19-V22 WeakPolarHBondContact O-CB 3.41Å; W19-V22 PolarHBondContact O-N 3.05Å
20	N	90.5	Very high	78	Confident	121 Å²	121	123.1 Å²	123.1	65%	0.647	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59	-21.5	-179.5	68.8	-10.7	0	0	0	114.1	S17	S17-N20 WeakPolarHBondContact O-CB 3.49Å; S17-N20 VanDerWaalsContact O-CG 3.31Å; S17-N20 PolarHBondContact O-N 3.1Å; S17-N20 VanDerWaalsContact O-N 3.1Å; S17-N20 PolarHBondContact O-OD1 3.35Å
21	H	90.8	Very high	79.2	Confident	130 Å²	130	117.9 Å²	117.9	60%	0.602	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-10.9	178.5	66.9	-87.3	0	0	0	113.3	H18 W19 K23	H18-H21 PolarHBondContact O-CE1 2.89Å; H18-H21 PolarHBondContact O-ND1 3.15Å; H18-H21 VanDerWaalsContact O-ND1 3.1Å; W19-H21 PolarHBondContact O-N 2.96Å; H21-K23 PolarHBondContact O-N 3.48Å
22	V	93.5	Very high	80.5	Confident	88 Å²	88	115 Å²	115	53%	0.533	65%	0.649	S	S	.	*			trans	-71.9	112.9	178.2	179.5	0	0	0	0	108.2	W19	W19-V22 HydrophobicContact CB-CG2 4.07Å; W19-V22 HydrophobicContact CD2-CG2 4.42Å; W19-V22 HydrophobicContact CE3-CG2 3.62Å; W19-V22 HydrophobicContact CZ3-CG2 4.46Å; W19-V22 WeakPolarHBondContact O-CB 3.41Å; W19-V22 PolarHBondContact O-N 3.05Å
23	K	93.1	Very high	81.9	Confident	190 Å²	190	111.7 Å²	111.7	83%	0.826	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-73.7	142.4	178.9	-62.8	-178.8	-178.7	179	0	110	H21 G25	H21-K23 PolarHBondContact O-N 3.48Å; K23-G25 PolarHBondContact O-N 2.81Å
24	L	89.3	Confident	83.4	Confident	173 Å²	173	102.6 Å²	102.6	91%	0.906	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-57.9	124	168	-175.7	65.1	0	0	0	108.8
25	G	85.6	Confident	84.6	Confident	50 Å²	50	104.6 Å²	104.6	52%	0.515	58%	0.579	S	S	.	*	P	Polyproline II helix	trans	-65.1	154.7	175.6	0	0	0	0	0	111.4	K23	K23-G25 PolarHBondContact O-N 2.81Å
26	P	81.5	Confident	85.5	Confident	122 Å²	122	97.4 Å²	97.4	79%	0.792	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-63.1	146.7	174.2	28.8	-34.4	0	0	0	110.3
27	P	74.2	Confident	86.1	Confident	114 Å²	114	96 Å²	96	74%	0.74	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-62.4	144.6	173.4	26.8	-33.5	0	0	0	110.6	A29	P27-A29 PolarHBondContact O-N 2.92Å
28	D	77.9	Confident	86.3	Confident	87 Å²	87	97.9 Å²	97.9	47%	0.465	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-65.5	127	172.2	178.8	-73.1	0	0	0	109.5	I30 L31 G32	D28-I30 PolarHBondContact O-N 3Å; D28-I30 VanDerWaalsContact O-N 3.13Å; D28-I30 WeakPolarHBondContact OD1-CA 3.22Å; D28-I30 WeakPolarHBondContact OD1-CB 3.17Å; D28-I30 PolarHBondContact OD1-N 2.96Å; D28-L31 HydrophobicContact CB-CB 3.95Å; D28-L31 HydrophobicContact CB-CD1 3.82Å; D28-L31 HydrophobicContact CB-CG 3.82Å; D28-L31 PolarHBondContact O-N 3.45Å; D28-L31 PolarHBondContact OD1-N 3.01Å; D28-G32 PolarHBondContact O-N 3.09Å
29	A	76.4	Confident	86.4	Confident	78 Å²	78	98.3 Å²	98.3	65%	0.645	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-25.3	-173.5	0	0	0	0	0	113.4	P27 I33	P27-A29 PolarHBondContact O-N 2.92Å; A29-I33 WeakPolarHBondContact O-CD1 3.49Å; A29-I33 WeakPolarHBondContact O-CG1 3.38Å
30	I	76.6	Confident	86.6	Confident	50 Å²	50	90.8 Å²	90.8	26%	0.256	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-39	179.2	-61.1	170.6	0	0	0	110.9	D28 I33 T34 G49 T390 R394	D28-I30 PolarHBondContact O-N 3Å; D28-I30 VanDerWaalsContact O-N 3.13Å; D28-I30 WeakPolarHBondContact OD1-CA 3.22Å; D28-I30 WeakPolarHBondContact OD1-CB 3.17Å; D28-I30 PolarHBondContact OD1-N 2.96Å; I30-I33 WeakPolarHBondContact O-CB 2.97Å; I30-I33 PolarHBondContact O-N 3.3Å; I30-T34 PolarHBondContact O-N 3.25Å; I30-T34 PolarHBondContact O-OG1 3.48Å; I30-G49 VanDerWaalsContact CG2-O 3.31Å; I30-G49 WeakPolarHBondContact CG2-O 3.31Å; I30-T390 HydrophobicContact CG1-CG2 4.18Å; I30-R394 VanDerWaalsContact CD1-NH1 3.3Å
31	L	77.4	Confident	86.9	Confident	107 Å²	107	91.5 Å²	91.5	56%	0.56	51%	0.509	S	S	*	.	H	α-helix	trans	-64.7	-42.7	177.7	-62.7	-179.1	0	0	0	111.4	D28 I33 T34 E35	D28-L31 HydrophobicContact CB-CB 3.95Å; D28-L31 HydrophobicContact CB-CD1 3.82Å; D28-L31 HydrophobicContact CB-CG 3.82Å; D28-L31 PolarHBondContact O-N 3.45Å; D28-L31 PolarHBondContact OD1-N 3.01Å; L31-I33 VanDerWaalsContact C-N 3.26Å; L31-I33 PolarHBondContact O-N 3.49Å; L31-T34 WeakPolarHBondContact O-CB 3.34Å; L31-T34 PolarHBondContact O-N 3.08Å; L31-E35 PolarHBondContact O-N 3.38Å
32	G	82.6	Confident	87.1	Confident	29 Å²	29	87.3 Å²	87.3	30%	0.299	49%	0.491	S	S	.	.	H	α-helix	trans	-59.8	-35.1	177.3	0	0	0	0	0	113.5	D28 E35 A36	D28-G32 PolarHBondContact O-N 3.09Å; G32-E35 PolarHBondContact O-N 3.07Å; G32-A36 WeakPolarHBondContact O-CB 3.49Å; G32-A36 PolarHBondContact O-N 3.35Å
33	I	87.4	Confident	87.2	Confident	25 Å²	25	89.3 Å²	89.3	13%	0.128	51%	0.506	C	S	.	.	H	α-helix	trans	-64.5	-43.3	174.3	-67.3	168.4	0	0	0	110.6	A29 I30 L31 A36 Y37 L389 T390	A29-I33 WeakPolarHBondContact O-CD1 3.49Å; A29-I33 WeakPolarHBondContact O-CG1 3.38Å; I30-I33 WeakPolarHBondContact O-CB 2.97Å; I30-I33 PolarHBondContact O-N 3.3Å; L31-I33 VanDerWaalsContact C-N 3.26Å; L31-I33 PolarHBondContact O-N 3.49Å; I33-A36 PolarHBondContact O-N 2.64Å; I33-Y37 WeakPolarHBondContact O-CB 3.43Å; I33-Y37 PolarHBondContact O-N 3.02Å; I33-L389 WeakPolarHBondContact CD1-O 3.48Å; I33-T390 HydrophobicContact CD1-CG2 3.52Å
34	T	88.3	Confident	87.3	Confident	41 Å²	41	85.5 Å²	85.5	25%	0.252	49%	0.491	S	S	.	.	H	α-helix	trans	-67	-38.9	179.5	-59.4	0	0	0	0	111.5	I30 L31 N38	I30-T34 PolarHBondContact O-N 3.25Å; I30-T34 PolarHBondContact O-OG1 3.48Å; L31-T34 WeakPolarHBondContact O-CB 3.34Å; L31-T34 PolarHBondContact O-N 3.08Å; T34-N38 WeakPolarHBondContact O-CB 3.49Å; T34-N38 PolarHBondContact O-N 2.9Å; T34-N38 PolarHBondContact O-ND2 2.86Å
35	E	88.9	Confident	87.6	Confident	110 Å²	110	79.7 Å²	79.7	51%	0.514	46%	0.458	S	S	.	.	H	α-helix	trans	-64.8	-44.6	174.6	-69.9	178.5	-176.5	0	0	112.5	L31 G32 N38 R39	L31-E35 PolarHBondContact O-N 3.38Å; G32-E35 PolarHBondContact O-N 3.07Å; E35-N38 PolarHBondContact O-N 3.28Å; E35-R39 WeakPolarHBondContact O-CG 3.06Å; E35-R39 PolarHBondContact O-N 3.21Å; E35-R39 IonicContact OE2-NH1 2.62Å
36	A	90.3	Very high	88.1	Confident	27 Å²	27	77.4 Å²	77.4	22%	0.223	43%	0.434	C	S	.	.	H	α-helix	trans	-61.2	-47.3	176.2	0	0	0	0	0	111.2	G32 I33 N38 R39 D40 Y388	G32-A36 WeakPolarHBondContact O-CB 3.49Å; G32-A36 PolarHBondContact O-N 3.35Å; I33-A36 PolarHBondContact O-N 2.64Å; A36-N38 VanDerWaalsContact C-N 3.29Å; A36-N38 PolarHBondContact O-N 2.97Å; A36-R39 PolarHBondContact O-N 3.16Å; A36-R39 VanDerWaalsContact O-N 3.16Å; A36-D40 PolarHBondContact O-N 2.89Å; A36-D40 VanDerWaalsContact O-N 3.12Å; A36-Y388 HydrophobicContact CB-CD1 4.02Å; A36-Y388 HydrophobicContact CB-CE1 3.65Å
37	Y	92.7	Very high	88.7	Confident	60 Å²	60	72.8 Å²	72.8	24%	0.235	40%	0.403	C	S	.	.	H	α-helix	trans	-55.1	-42.2	172.6	169.1	-94.7	0	0	0	112.5	I33 R39 D40 K45 N47 Y388	I33-Y37 WeakPolarHBondContact O-CB 3.43Å; I33-Y37 PolarHBondContact O-N 3.02Å; Y37-R39 VanDerWaalsContact C-N 3.35Å; Y37-R39 PolarHBondContact O-N 3.44Å; Y37-D40 PolarHBondContact O-N 3.35Å; Y37-K45 HydrophobicContact CD2-CB 4.29Å; Y37-K45 HydrophobicContact CD2-CD 3.99Å; Y37-K45 HydrophobicContact CD2-CG 4.03Å; Y37-K45 HydrophobicContact CE2-CB 4.1Å; Y37-K45 HydrophobicContact CE2-CD 3.79Å; Y37-K45 HydrophobicContact CE2-CG 3.52Å; Y37-K45 WeakPolarHBondContact O-CD 3.45Å; Y37-K45 WeakPolarHBondContact O-CE 3.46Å; Y37-K45 PolarHBondContact O-NZ 3.22Å; Y37-N47 HydrophobicContact CD1-CB 4Å; Y37-N47 HydrophobicContact CD2-CB 3.59Å; Y37-N47 HydrophobicContact CE1-CB 4.11Å; Y37-N47 HydrophobicContact CE2-CB 3.66Å; Y37-N47 HydrophobicContact CG-CB 3.75Å; Y37-Y388 AromaticContact CD2-CD2 3.83Å; Y37-Y388 HydrophobicContact CD2-CD2 3.83Å; Y37-Y388 HydrophobicContact CD2-CE2 4.35Å; Y37-Y388 HydrophobicContact CG-CD2 4.4Å
38	N	92.4	Very high	89.7	Confident	106 Å²	106	67.3 Å²	67.3	57%	0.567	37%	0.368	S	S	*	.	H	α-helix	trans	-68.9	-32.2	-179.8	-73.8	-21.3	0	0	0	112.8	T34 E35 A36	T34-N38 WeakPolarHBondContact O-CB 3.49Å; T34-N38 PolarHBondContact O-N 2.9Å; T34-N38 PolarHBondContact O-ND2 2.86Å; E35-N38 PolarHBondContact O-N 3.28Å; A36-N38 VanDerWaalsContact C-N 3.29Å; A36-N38 PolarHBondContact O-N 2.97Å
39	R	94	Very high	90.2	Very high	170 Å²	170	63.2 Å²	63.2	64%	0.642	35%	0.345	S	S	*	.	H	α-helix	trans	-74.5	-27.6	176.5	-72.1	-171.5	-64.7	-99.3	0.5	113.5	E35 A36 Y37	E35-R39 WeakPolarHBondContact O-CG 3.06Å; E35-R39 PolarHBondContact O-N 3.21Å; E35-R39 IonicContact OE2-NH1 2.62Å; A36-R39 PolarHBondContact O-N 3.16Å; A36-R39 VanDerWaalsContact O-N 3.16Å; Y37-R39 VanDerWaalsContact C-N 3.35Å; Y37-R39 PolarHBondContact O-N 3.44Å
40	D	95.3	Very high	90.5	Very high	28 Å²	28	60.2 Å²	60.2	15%	0.15	32%	0.321	C	S	.	.			trans	-67.1	131.4	179.7	-166.3	-19.9	0	0	0	111.3	A36 Y37 N42 K45 S386 Y388	A36-D40 PolarHBondContact O-N 2.89Å; A36-D40 VanDerWaalsContact O-N 3.12Å; Y37-D40 PolarHBondContact O-N 3.35Å; D40-N42 WeakPolarHBondContact OD1-CB 3.44Å; D40-N42 PolarHBondContact OD1-N 2.61Å; D40-K45 HydrophobicContact CB-CD 3.88Å; D40-K45 WeakPolarHBondContact O-CD 3.5Å; D40-K45 WeakPolarHBondContact O-CE 3.39Å; D40-K45 PolarHBondContact O-NZ 3.47Å; D40-S386 WeakPolarHBondContact OD2-CB 3.13Å; D40-S386 PolarHBondContact OD2-OG 3.3Å; D40-Y388 HydrophobicContact CB-CE2 4.13Å; D40-Y388 VanDerWaalsContact CB-OH 3.32Å; D40-Y388 WeakPolarHBondContact CB-OH 3.21Å; D40-Y388 WeakPolarHBondContact OD2-CE2 3.36Å; D40-Y388 PolarHBondContact OD2-OH 3.08Å
41	T	96.2	Very high	90.9	Very high	136 Å²	136	59.5 Å²	59.5	83%	0.834	33%	0.326	S	S	*	.			trans	-97.9	-2.7	178.8	55.9	0	0	0	0	113.3
42	N	96.6	Very high	91.7	Very high	42 Å²	42	55.1 Å²	55.1	23%	0.225	31%	0.305	C	S	.	.			trans	-60.7	123.1	178.5	-176.9	-12.3	0	0	0	110.3	D40 Q44 K45 S386	D40-N42 WeakPolarHBondContact OD1-CB 3.44Å; D40-N42 PolarHBondContact OD1-N 2.61Å; N42-Q44 PolarHBondContact O-N 3.17Å; N42-Q44 PolarHBondContact OD1-N 2.94Å; N42-K45 HydrophobicContact CB-CB 4.46Å; N42-K45 WeakPolarHBondContact O-CB 3.47Å; N42-K45 WeakPolarHBondContact O-CG 3.34Å; N42-K45 PolarHBondContact O-N 3.09Å; N42-S386 WeakPolarHBondContact CB-OG 3.45Å; N42-S386 WeakPolarHBondContact ND2-CB 3.48Å; N42-S386 PolarHBondContact ND2-OG 2.8Å
43	P	94.2	Very high	92.3	Very high	131 Å²	131	54.3 Å²	54.3	85%	0.851	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-18.6	179.6	27.3	-35.9	0	0	0	113.8
44	Q	94.9	Very high	92.6	Very high	109 Å²	109	56.3 Å²	56.3	51%	0.509	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	1.5	178.6	-61.1	-174	-57.6	0	0	113.7	N42 I46 Y407	N42-Q44 PolarHBondContact O-N 3.17Å; N42-Q44 PolarHBondContact OD1-N 2.94Å; Q44-I46 WeakPolarHBondContact O-CG1 3.32Å; Q44-Y407 HydrophobicContact CB-CD1 4.39Å; Q44-Y407 HydrophobicContact CB-CE1 3.95Å
45	K	96.3	Very high	92.9	Very high	51 Å²	51	56.2 Å²	56.2	22%	0.222	30%	0.297	C	S	.	.			trans	-57.1	140.2	-177.9	68	-178.7	-176	175	0	112.7	Y37 D40 N42 S386 Y388	Y37-K45 HydrophobicContact CD2-CB 4.29Å; Y37-K45 HydrophobicContact CD2-CD 3.99Å; Y37-K45 HydrophobicContact CD2-CG 4.03Å; Y37-K45 HydrophobicContact CE2-CB 4.1Å; Y37-K45 HydrophobicContact CE2-CD 3.79Å; Y37-K45 HydrophobicContact CE2-CG 3.52Å; Y37-K45 WeakPolarHBondContact O-CD 3.45Å; Y37-K45 WeakPolarHBondContact O-CE 3.46Å; Y37-K45 PolarHBondContact O-NZ 3.22Å; D40-K45 HydrophobicContact CB-CD 3.88Å; D40-K45 WeakPolarHBondContact O-CD 3.5Å; D40-K45 WeakPolarHBondContact O-CE 3.39Å; D40-K45 PolarHBondContact O-NZ 3.47Å; N42-K45 HydrophobicContact CB-CB 4.46Å; N42-K45 WeakPolarHBondContact O-CB 3.47Å; N42-K45 WeakPolarHBondContact O-CG 3.34Å; N42-K45 PolarHBondContact O-N 3.09Å; K45-S386 CarbonylContact C-O 3.56Å; K45-S386 WeakPolarHBondContact CA-O 3.39Å; K45-Y388 HydrophobicContact CB-CE2 4.4Å
46	I	95.6	Very high	93.1	Very high	3 Å²	3	53.3 Å²	53.3	2%	0.015	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	133.5	179.3	-54.1	-177.7	0	0	0	110.1	Q44 L48 S386 I387 Y388 N404 Y407 L408	Q44-I46 WeakPolarHBondContact O-CG1 3.32Å; I46-L48 HydrophobicContact CG2-CD2 3.55Å; I46-L48 HydrophobicContact CG2-CG 3.79Å; I46-S386 PolarHBondContact N-O 2.95Å; I46-I387 HydrophobicContact CB-CG1 4.23Å; I46-I387 HydrophobicContact CD1-CG1 4.24Å; I46-I387 HydrophobicContact CG1-CG1 4.3Å; I46-Y388 WeakPolarHBondContact O-CB 3.25Å; I46-Y388 PolarHBondContact O-N 3.3Å; I46-N404 HydrophobicContact CD1-CB 3.76Å; I46-N404 HydrophobicContact CG1-CB 4.23Å; I46-Y407 HydrophobicContact CD1-CD1 3.9Å; I46-Y407 HydrophobicContact CG1-CD1 4.44Å; I46-L408 HydrophobicContact CD1-CB 4.1Å
47	N	94.1	Very high	93.3	Very high	24 Å²	24	56.7 Å²	56.7	13%	0.128	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	105.2	170.3	-171.7	-15.3	0	0	0	110.6	Y37 G49 A50	Y37-N47 HydrophobicContact CD1-CB 4Å; Y37-N47 HydrophobicContact CD2-CB 3.59Å; Y37-N47 HydrophobicContact CE1-CB 4.11Å; Y37-N47 HydrophobicContact CE2-CB 3.66Å; Y37-N47 HydrophobicContact CG-CB 3.75Å; N47-G49 WeakPolarHBondContact OD1-CA 3.47Å; N47-G49 PolarHBondContact OD1-N 3.01Å; N47-A50 PolarHBondContact OD1-N 3.36Å
48	L	95	Very high	93.2	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.311	C	S	.	.			trans	-100.9	4.3	172.7	-54.6	178.5	0	0	0	112.1	I46 I387 Y388 L389 I395 S396 L400 L408	I46-L48 HydrophobicContact CG2-CD2 3.55Å; I46-L48 HydrophobicContact CG2-CG 3.79Å; L48-I387 HydrophobicContact CD1-CG2 3.78Å; L48-I387 HydrophobicContact CG-CG2 4.41Å; L48-Y388 CarbonylContact C-O 3.58Å; L48-Y388 WeakPolarHBondContact CA-O 3.49Å; L48-Y388 WeakPolarHBondContact CB-O 3.26Å; L48-Y388 PolarHBondContact N-O 3.25Å; L48-L389 HydrophobicContact CB-CB 4.03Å; L48-I395 HydrophobicContact CB-CB 4.05Å; L48-I395 HydrophobicContact CB-CG2 4.11Å; L48-I395 HydrophobicContact CD1-CB 4.09Å; L48-I395 HydrophobicContact CD1-CG2 3.68Å; L48-S396 VanDerWaalsContact O-CB 3.24Å; L48-S396 WeakPolarHBondContact O-CB 3.27Å; L48-S396 PolarHBondContact O-N 3.48Å; L48-L400 HydrophobicContact CD2-CD2 3.63Å; L48-L400 HydrophobicContact CD2-CG 4.46Å; L48-L408 HydrophobicContact CD1-CD1 3.82Å; L48-L408 HydrophobicContact CD1-CD2 3.81Å; L48-L408 HydrophobicContact CD2-CD2 4.47Å
49	G	89.3	Confident	93.2	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.312	C	S	.	.			trans	-83.8	-22	175.8	0	0	0	0	0	114.2	I30 N47 G51 Y388 R394	I30-G49 VanDerWaalsContact CG2-O 3.31Å; I30-G49 WeakPolarHBondContact CG2-O 3.31Å; N47-G49 WeakPolarHBondContact OD1-CA 3.47Å; N47-G49 PolarHBondContact OD1-N 3.01Å; G49-G51 PolarHBondContact O-N 3.02Å; G49-Y388 PolarHBondContact N-O 3.24Å; G49-R394 PolarHBondContact O-NH2 3.19Å
50	A	81.6	Confident	93.2	Very high	15 Å²	15	53.5 Å²	53.5	12%	0.124	31%	0.309	C	S	.	.			trans	-61.1	130.6	-170.5	0	0	0	0	0	113.7	N47 A52 S396	N47-A50 PolarHBondContact OD1-N 3.36Å; A50-A52 PolarHBondContact O-N 3.08Å; A50-S396 WeakPolarHBondContact O-CB 3.31Å; A50-S396 PolarHBondContact O-OG 2.98Å
51	G	87	Confident	93.2	Very high	36 Å²	36	55 Å²	55	37%	0.371	31%	0.314	S	S	.	.			trans	-90.9	15.6	-179.4	0	0	0	0	0	115.8	G49 M367	G49-G51 PolarHBondContact O-N 3.02Å; G51-M367 VanDerWaalsContact O-CE 3.31Å; G51-M367 WeakPolarHBondContact O-CE 3.48Å
52	A	93	Very high	93.2	Very high	15 Å²	15	51.8 Å²	51.8	12%	0.124	29%	0.294	C	S	.	.	S	Bend	trans	-132.2	148.3	-178.4	0	0	0	0	0	110.6	A50 Y271	A50-A52 PolarHBondContact O-N 3.08Å; A52-Y271 HydrophobicContact CB-CD1 3.99Å; A52-Y271 HydrophobicContact CB-CD2 4.29Å; A52-Y271 HydrophobicContact CB-CE1 3.79Å; A52-Y271 HydrophobicContact CB-CE2 4.1Å; A52-Y271 HydrophobicContact CB-CG 4.26Å
53	Y	95.2	Very high	93.3	Very high	11 Å²	11	49.9 Å²	49.9	4%	0.043	28%	0.284	C	S	.	.			trans	-63.1	145.8	179.2	179.5	-90.5	0	0	0	111.3	F61 F234 Y271 M334 R337 I338 A398	Y53-F61 HydrophobicContact CD1-CB 3.64Å; Y53-F61 HydrophobicContact CD1-CD1 4.06Å; Y53-F61 HydrophobicContact CD1-CG 4.21Å; Y53-F61 HydrophobicContact CE1-CB 3.65Å; Y53-F61 AromaticContact CE1-CD1 3.69Å; Y53-F61 HydrophobicContact CE1-CD1 3.69Å; Y53-F61 AromaticContact CE1-CG 3.83Å; Y53-F61 HydrophobicContact CE1-CG 3.83Å; Y53-F234 HydrophobicContact CD2-CE2 4.13Å; Y53-F234 AromaticContact CD2-CZ 3.79Å; Y53-F234 HydrophobicContact CD2-CZ 3.79Å; Y53-F234 HydrophobicContact CE2-CE2 4.46Å; Y53-Y271 WeakPolarHBondContact CB-OH 3.42Å; Y53-Y271 PolarHBondContact N-OH 2.75Å; Y53-M334 HydrophobicContact CD1-CG 4.29Å; Y53-M334 HydrophobicContact CD1-SD 4Å; Y53-M334 HydrophobicContact CD2-CB 4.31Å; Y53-M334 HydrophobicContact CD2-CG 4.44Å; Y53-M334 HydrophobicContact CD2-SD 4.49Å; Y53-M334 HydrophobicContact CE1-CG 3.85Å; Y53-M334 HydrophobicContact CE1-SD 4.15Å; Y53-M334 HydrophobicContact CE2-CB 3.79Å; Y53-M334 HydrophobicContact CE2-CG 3.99Å; Y53-M334 HydrophobicContact CG-SD 4.16Å; Y53-R337 WeakPolarHBondContact OH-CD 3.23Å; Y53-I338 HydrophobicContact CD2-CD1 4.31Å; Y53-I338 HydrophobicContact CD2-CG1 4.44Å; Y53-I338 HydrophobicContact CE2-CD1 4.33Å; Y53-I338 HydrophobicContact CE2-CG1 4.25Å; Y53-A398 HydrophobicContact CD2-CB 4.39Å
54	R	94.3	Very high	93.5	Very high	68 Å²	68	46.8 Å²	46.8	26%	0.257	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-131.3	146.5	173.7	-58.6	-65.9	176.9	-113.9	7.4	109	K59 R337	R54-K59 VanDerWaalsContact CA-O 3.23Å; R54-K59 WeakPolarHBondContact CA-O 3.32Å; R54-K59 VanDerWaalsContact CD-C 3.47Å; R54-K59 WeakPolarHBondContact CD-O 3.46Å; R54-R337 PolarHBondContact O-NH1 3.38Å
55	D	94	Very high	93.7	Very high	38 Å²	38	41.7 Å²	41.7	20%	0.203	24%	0.24	C	C	.	.			trans	-74.2	-177.7	172.4	71.1	6.5	0	0	0	111.6	N57 G58 K59 F61 R337	D55-N57 PolarHBondContact O-N 3.06Å; D55-N57 VanDerWaalsContact O-N 3.13Å; D55-N57 WeakPolarHBondContact OD1-CA 3.4Å; D55-N57 WeakPolarHBondContact OD1-CB 3.37Å; D55-N57 PolarHBondContact OD1-N 2.93Å; D55-G58 PolarHBondContact O-N 3.46Å; D55-G58 PolarHBondContact OD1-N 3Å; D55-G58 VanDerWaalsContact OD1-N 3.12Å; D55-K59 PolarHBondContact N-O 3.32Å; D55-K59 PolarHBondContact OD1-N 3.26Å; D55-F61 HydrophobicContact CB-CB 4.46Å; D55-F61 HydrophobicContact CB-CD2 4.42Å; D55-R337 PolarHBondContact O-NH2 3.24Å
56	D	94.3	Very high	93.8	Very high	50 Å²	50	39.4 Å²	39.4	27%	0.267	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-5.6	180	-152.5	57	0	0	0	114.8	R337 S401 S402	D56-R337 IonicContact OD1-CZ 3.76Å; D56-R337 IonicContact OD1-NE 2.89Å; D56-R337 IonicContact OD1-NH2 3.77Å; D56-R337 PolarHBondContact OD1-NH2 3.41Å; D56-S401 WeakPolarHBondContact O-CB 3.45Å; D56-S401 VanDerWaalsContact OD1-CA 3.22Å; D56-S401 WeakPolarHBondContact OD1-CA 3.43Å; D56-S401 WeakPolarHBondContact OD1-CB 3.42Å; D56-S402 PolarHBondContact OD1-N 3.02Å; D56-S402 WeakPolarHBondContact OD2-CB 3.46Å; D56-S402 PolarHBondContact OD2-OG 3.44Å
57	N	93.1	Very high	93.9	Very high	98 Å²	98	44.7 Å²	44.7	52%	0.524	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	8.8	171.5	-62.1	-57.3	0	0	0	112.2	D55 K59 K403	D55-N57 PolarHBondContact O-N 3.06Å; D55-N57 VanDerWaalsContact O-N 3.13Å; D55-N57 WeakPolarHBondContact OD1-CA 3.4Å; D55-N57 WeakPolarHBondContact OD1-CB 3.37Å; D55-N57 PolarHBondContact OD1-N 2.93Å; N57-K59 HydrophobicContact CB-CG 4.27Å; N57-K59 PolarHBondContact O-N 3.39Å; N57-K403 PolarHBondContact OD1-NZ 3.31Å
58	G	90.9	Very high	94.2	Very high	47 Å²	47	46.9 Å²	46.9	49%	0.485	26%	0.263	S	S	.	.	S	Bend	trans	69.5	17.1	-178.5	0	0	0	0	0	113.5	D55	D55-G58 PolarHBondContact O-N 3.46Å; D55-G58 PolarHBondContact OD1-N 3Å; D55-G58 VanDerWaalsContact OD1-N 3.12Å
59	K	92.4	Very high	94.3	Very high	134 Å²	134	46.9 Å²	46.9	58%	0.583	26%	0.263	S	S	*	.			trans	-96.1	150.4	-178.3	-61	-58	-176.6	-177.5	0	111.6	R54 D55 N57 F61	R54-K59 VanDerWaalsContact CA-O 3.23Å; R54-K59 WeakPolarHBondContact CA-O 3.32Å; R54-K59 VanDerWaalsContact CD-C 3.47Å; R54-K59 WeakPolarHBondContact CD-O 3.46Å; D55-K59 PolarHBondContact N-O 3.32Å; D55-K59 PolarHBondContact OD1-N 3.26Å; N57-K59 HydrophobicContact CB-CG 4.27Å; N57-K59 PolarHBondContact O-N 3.39Å; K59-F61 PolarHBondContact O-N 3.03Å
60	P	93.9	Very high	94.7	Very high	88 Å²	88	50.2 Å²	50.2	57%	0.571	28%	0.279	S	S	*	.	B	Isolated β-bridge	trans	-53.1	131.4	166.8	-23.2	33.5	0	0	0	110.5
61	F	95	Very high	95.5	Very high	59 Å²	59	53.2 Å²	53.2	26%	0.259	30%	0.298	S	S	.	.			trans	-104.3	118.9	180	-177.4	-114.9	0	0	0	109.7	Y53 D55 K59 L63 M334	Y53-F61 HydrophobicContact CD1-CB 3.64Å; Y53-F61 HydrophobicContact CD1-CD1 4.06Å; Y53-F61 HydrophobicContact CD1-CG 4.21Å; Y53-F61 HydrophobicContact CE1-CB 3.65Å; Y53-F61 AromaticContact CE1-CD1 3.69Å; Y53-F61 HydrophobicContact CE1-CD1 3.69Å; Y53-F61 AromaticContact CE1-CG 3.83Å; Y53-F61 HydrophobicContact CE1-CG 3.83Å; D55-F61 HydrophobicContact CB-CB 4.46Å; D55-F61 HydrophobicContact CB-CD2 4.42Å; K59-F61 PolarHBondContact O-N 3.03Å; F61-L63 HydrophobicContact CD1-CD1 4.11Å; F61-L63 HydrophobicContact CE1-CD1 4.26Å; F61-L63 HydrophobicContact CE1-CG 4.22Å; F61-M334 HydrophobicContact CD1-CG 4.13Å; F61-M334 HydrophobicContact CD1-SD 3.96Å; F61-M334 HydrophobicContact CE1-CG 4.04Å; F61-M334 HydrophobicContact CE1-SD 4.23Å
62	V	97.4	Very high	96.1	Very high	69 Å²	69	54.4 Å²	54.4	42%	0.418	30%	0.296	S	S	.	.			trans	-98.3	120	170.1	-177	0	0	0	0	107.2	V66 K67	V62-V66 HydrophobicContact CG1-CB 4.46Å; V62-V66 HydrophobicContact CG1-CG1 4.14Å; V62-K67 HydrophobicContact CG1-CD 4.48Å; V62-K67 HydrophobicContact CG1-CG 3.79Å
63	L	98.2	Very high	96.3	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	29%	0.294	C	S	.	.			trans	-57.2	132.1	-176.1	-79	67.3	0	0	0	110.4	F61 S65 V66 K67 D330 M334	F61-L63 HydrophobicContact CD1-CD1 4.11Å; F61-L63 HydrophobicContact CE1-CD1 4.26Å; F61-L63 HydrophobicContact CE1-CG 4.22Å; L63-S65 PolarHBondContact O-N 2.83Å; L63-V66 HydrophobicContact CB-CB 4.09Å; L63-V66 HydrophobicContact CB-CG2 3.79Å; L63-V66 HydrophobicContact CD2-CG2 4.48Å; L63-V66 WeakPolarHBondContact O-CB 3.31Å; L63-V66 PolarHBondContact O-N 3.4Å; L63-K67 PolarHBondContact O-N 3.47Å; L63-K67 VanDerWaalsContact O-N 3.16Å; L63-D330 HydrophobicContact CB-CB 4.28Å; L63-D330 WeakPolarHBondContact CB-OD2 3.27Å; L63-D330 HydrophobicContact CD2-CB 3.81Å; L63-D330 HydrophobicContact CG-CB 3.91Å; L63-M334 HydrophobicContact CD1-CE 4.04Å; L63-M334 HydrophobicContact CD1-SD 3.9Å; L63-M334 HydrophobicContact CD2-CE 3.96Å; L63-M334 HydrophobicContact CG-CE 4.21Å; L63-M334 HydrophobicContact CG-SD 4.44Å
64	P	98.4	Very high	96.4	Very high	67 Å²	67	60.8 Å²	60.8	44%	0.435	33%	0.328	S	S	.	.	H	α-helix	trans	-48.1	-44.2	171.8	-30.5	34.4	0	0	0	113.6	V66 K67 E68 D330	P64-V66 VanDerWaalsContact C-N 3.32Å; P64-V66 PolarHBondContact O-N 2.89Å; P64-K67 PolarHBondContact O-N 2.77Å; P64-E68 PolarHBondContact O-N 3.19Å; P64-E68 VanDerWaalsContact O-N 3.13Å; P64-D330 WeakPolarHBondContact CD-OD1 3.46Å
65	S	98.6	Very high	96.5	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.007	35%	0.349	C	S	.	.	H	α-helix	trans	-60.4	-37.6	176	57.1	0	0	0	0	113.1	L63 E68 A69 L317 W327 D330	L63-S65 PolarHBondContact O-N 2.83Å; S65-E68 PolarHBondContact O-N 2.79Å; S65-A69 WeakPolarHBondContact O-CB 3.41Å; S65-A69 PolarHBondContact O-N 3.4Å; S65-L317 WeakPolarHBondContact O-CD2 3.4Å; S65-W327 WeakPolarHBondContact OG-CA 3.33Å; S65-D330 WeakPolarHBondContact CB-OD2 3.41Å; S65-D330 PolarHBondContact N-OD2 3.47Å; S65-D330 PolarHBondContact OG-OD2 3.27Å
66	V	98.6	Very high	96.7	Very high	4 Å²	4	64.6 Å²	64.6	2%	0.024	36%	0.36	C	S	.	.	H	α-helix	trans	-64.2	-45.9	176.2	167	0	0	0	0	111	V62 L63 P64 E68 A69 E70 M268 L270 I313 L317	V62-V66 HydrophobicContact CG1-CB 4.46Å; V62-V66 HydrophobicContact CG1-CG1 4.14Å; L63-V66 HydrophobicContact CB-CB 4.09Å; L63-V66 HydrophobicContact CB-CG2 3.79Å; L63-V66 HydrophobicContact CD2-CG2 4.48Å; L63-V66 WeakPolarHBondContact O-CB 3.31Å; L63-V66 PolarHBondContact O-N 3.4Å; P64-V66 VanDerWaalsContact C-N 3.32Å; P64-V66 PolarHBondContact O-N 2.89Å; V66-E68 VanDerWaalsContact C-N 3.27Å; V66-E68 PolarHBondContact O-N 3.48Å; V66-A69 PolarHBondContact O-N 3.4Å; V66-E70 HydrophobicContact CG1-CG 4.43Å; V66-E70 WeakPolarHBondContact O-CG 3.32Å; V66-E70 PolarHBondContact O-N 2.88Å; V66-M268 WeakPolarHBondContact CG2-O 3.47Å; V66-L270 HydrophobicContact CG1-CD2 3.91Å; V66-L270 HydrophobicContact CG2-CD2 4.17Å; V66-I313 HydrophobicContact CG1-CG2 4.1Å; V66-I313 HydrophobicContact CG2-CG2 4.45Å; V66-L317 HydrophobicContact CG2-CD1 3.85Å
67	K	98.5	Very high	96.8	Very high	113 Å²	113	69.3 Å²	69.3	49%	0.491	39%	0.386	S	S	.	.	H	α-helix	trans	-61.1	-38.4	178.5	-62.8	179.1	-176.8	175.6	0	112	V62 L63 P64 S71	V62-K67 HydrophobicContact CG1-CD 4.48Å; V62-K67 HydrophobicContact CG1-CG 3.79Å; L63-K67 PolarHBondContact O-N 3.47Å; L63-K67 VanDerWaalsContact O-N 3.16Å; P64-K67 PolarHBondContact O-N 2.77Å; K67-S71 PolarHBondContact O-N 3.06Å; K67-S71 PolarHBondContact O-OG 3.02Å
68	E	98.6	Very high	96.9	Very high	70 Å²	70	68.1 Å²	68.1	33%	0.327	38%	0.379	S	S	.	.	H	α-helix	trans	-68.4	-44.6	176.5	-168.5	177.2	151.3	0	0	111.3	P64 S65 V66 E70 S71 L72 L323 K326	P64-E68 PolarHBondContact O-N 3.19Å; P64-E68 VanDerWaalsContact O-N 3.13Å; S65-E68 PolarHBondContact O-N 2.79Å; V66-E68 VanDerWaalsContact C-N 3.27Å; V66-E68 PolarHBondContact O-N 3.48Å; E68-E70 VanDerWaalsContact C-N 3.34Å; E68-E70 PolarHBondContact O-N 3.3Å; E68-S71 WeakPolarHBondContact O-CB 3.12Å; E68-S71 PolarHBondContact O-N 3.28Å; E68-L72 WeakPolarHBondContact O-CG 3.49Å; E68-L72 PolarHBondContact O-N 3.24Å; E68-L323 HydrophobicContact CB-CD2 3.8Å; E68-L323 HydrophobicContact CG-CD2 3.72Å; E68-K326 IonicContact OE1-NZ 3.89Å; E68-K326 PolarHBondContact OE1-NZ 3.35Å; E68-K326 WeakPolarHBondContact OE2-CD 3.37Å; E68-K326 IonicContact OE2-NZ 2.65Å; E68-K326 PolarHBondContact OE2-NZ 2.84Å
69	A	98.6	Very high	97.1	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-59.2	-42.4	173.8	0	0	0	0	0	112.3	S65 V66 S71 L72 L73 I313 E316 L317 L323	S65-A69 WeakPolarHBondContact O-CB 3.41Å; S65-A69 PolarHBondContact O-N 3.4Å; V66-A69 PolarHBondContact O-N 3.4Å; A69-S71 VanDerWaalsContact C-N 3.34Å; A69-S71 PolarHBondContact O-N 3.18Å; A69-L72 PolarHBondContact O-N 3.47Å; A69-L73 WeakPolarHBondContact O-CB 3.21Å; A69-L73 VanDerWaalsContact O-CG 3.24Å; A69-L73 WeakPolarHBondContact O-CG 2.7Å; A69-L73 PolarHBondContact O-N 3.46Å; A69-I313 HydrophobicContact CB-CG2 4.13Å; A69-E316 HydrophobicContact CB-CB 4.06Å; A69-E316 HydrophobicContact CB-CG 4.12Å; A69-L317 HydrophobicContact CB-CD2 3.87Å; A69-L317 HydrophobicContact CB-CG 4.15Å; A69-L323 HydrophobicContact CB-CD1 4.06Å
70	E	98.2	Very high	97.3	Very high	71 Å²	71	71.8 Å²	71.8	33%	0.332	39%	0.386	S	S	.	.	H	α-helix	trans	-59.3	-44.2	174	-75.2	176.6	150.9	0	0	112	V66 E68 L73 L74 I313	V66-E70 HydrophobicContact CG1-CG 4.43Å; V66-E70 WeakPolarHBondContact O-CG 3.32Å; V66-E70 PolarHBondContact O-N 2.88Å; E68-E70 VanDerWaalsContact C-N 3.34Å; E68-E70 PolarHBondContact O-N 3.3Å; E70-L73 PolarHBondContact O-N 2.98Å; E70-L74 WeakPolarHBondContact O-CB 3.47Å; E70-L74 PolarHBondContact O-N 3.44Å; E70-I313 HydrophobicContact CG-CD1 3.61Å; E70-I313 HydrophobicContact CG-CG1 4.05Å
71	S	98.3	Very high	97.5	Very high	77 Å²	77	73.7 Å²	73.7	54%	0.538	39%	0.387	S	S	.	.	H	α-helix	trans	-62.8	-43.3	178.2	-58.7	0	0	0	0	111.7	K67 E68 A69 L74 A75	K67-S71 PolarHBondContact O-N 3.06Å; K67-S71 PolarHBondContact O-OG 3.02Å; E68-S71 WeakPolarHBondContact O-CB 3.12Å; E68-S71 PolarHBondContact O-N 3.28Å; A69-S71 VanDerWaalsContact C-N 3.34Å; A69-S71 PolarHBondContact O-N 3.18Å; S71-L74 PolarHBondContact O-N 3.4Å; S71-A75 PolarHBondContact O-N 2.86Å; S71-A75 VanDerWaalsContact O-N 3.08Å
72	L	98.1	Very high	97.6	Very high	62 Å²	62	79.9 Å²	79.9	33%	0.325	41%	0.41	S	S	.	.	H	α-helix	trans	-63.9	-42.2	175	-69.3	174.8	0	0	0	111.9	E68 A69 L74 A75 K76 E316 L323	E68-L72 WeakPolarHBondContact O-CG 3.49Å; E68-L72 PolarHBondContact O-N 3.24Å; A69-L72 PolarHBondContact O-N 3.47Å; L72-L74 VanDerWaalsContact C-N 3.34Å; L72-L74 PolarHBondContact O-N 2.91Å; L72-A75 PolarHBondContact O-N 2.58Å; L72-K76 WeakPolarHBondContact O-CG 3.43Å; L72-K76 PolarHBondContact O-N 3.12Å; L72-E316 HydrophobicContact CD1-CG 4.45Å; L72-L323 HydrophobicContact CD1-CD1 3.6Å; L72-L323 HydrophobicContact CD1-CG 4.36Å
73	L	97.5	Very high	97.6	Very high	15 Å²	15	77.1 Å²	77.1	8%	0.079	40%	0.395	C	S	.	.	H	α-helix	trans	-66.2	-36.4	178.4	-73.1	171.9	0	0	0	112.6	A69 E70 K76 L78 R312 I313	A69-L73 WeakPolarHBondContact O-CB 3.21Å; A69-L73 VanDerWaalsContact O-CG 3.24Å; A69-L73 WeakPolarHBondContact O-CG 2.7Å; A69-L73 PolarHBondContact O-N 3.46Å; E70-L73 PolarHBondContact O-N 2.98Å; L73-K76 HydrophobicContact CD2-CD 4.49Å; L73-K76 PolarHBondContact O-N 2.88Å; L73-L78 HydrophobicContact CD2-CD1 4.09Å; L73-R312 HydrophobicContact CD1-CB 3.89Å; L73-R312 HydrophobicContact CD2-CB 3.96Å; L73-I313 HydrophobicContact CD1-CB 4.22Å; L73-I313 HydrophobicContact CD1-CG1 3.58Å
74	L	97.2	Very high	97.6	Very high	144 Å²	144	80.5 Å²	80.5	75%	0.754	42%	0.416	S	S	*	.	H	α-helix	trans	-62.7	-44.8	173.2	-175.9	63.5	0	0	0	110.6	E70 S71 L72 K76 N77	E70-L74 WeakPolarHBondContact O-CB 3.47Å; E70-L74 PolarHBondContact O-N 3.44Å; S71-L74 PolarHBondContact O-N 3.4Å; L72-L74 VanDerWaalsContact C-N 3.34Å; L72-L74 PolarHBondContact O-N 2.91Å; L74-K76 VanDerWaalsContact C-N 3.29Å; L74-K76 PolarHBondContact O-N 3.43Å; L74-N77 PolarHBondContact O-N 3.02Å
75	A	97.7	Very high	97.6	Very high	84 Å²	84	79.7 Å²	79.7	69%	0.694	41%	0.408	S	S	*	.	H	α-helix	trans	-64.3	-30.1	178.1	0	0	0	0	0	113.5	S71 L72 N77	S71-A75 PolarHBondContact O-N 2.86Å; S71-A75 VanDerWaalsContact O-N 3.08Å; L72-A75 PolarHBondContact O-N 2.58Å; A75-N77 PolarHBondContact O-N 3.04Å
76	K	97.6	Very high	97.6	Very high	103 Å²	103	80.5 Å²	80.5	45%	0.448	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-10.6	176.4	-72	176	-170.4	-173.8	0	114.1	L72 L73 L74 L78 E316	L72-K76 WeakPolarHBondContact O-CG 3.43Å; L72-K76 PolarHBondContact O-N 3.12Å; L73-K76 HydrophobicContact CD2-CD 4.49Å; L73-K76 PolarHBondContact O-N 2.88Å; L74-K76 VanDerWaalsContact C-N 3.29Å; L74-K76 PolarHBondContact O-N 3.43Å; K76-L78 HydrophobicContact CB-CD1 4.39Å; K76-L78 HydrophobicContact CB-CD2 4.08Å; K76-L78 HydrophobicContact CB-CG 3.85Å; K76-L78 PolarHBondContact O-N 2.72Å; K76-L78 VanDerWaalsContact O-N 3.12Å; K76-E316 IonicContact NZ-OE1 3.19Å; K76-E316 PolarHBondContact NZ-OE1 3.02Å; K76-E316 IonicContact NZ-OE2 3.87Å; K76-E316 PolarHBondContact NZ-OE2 3.37Å
77	N	95.5	Very high	97.6	Very high	149 Å²	149	80.3 Å²	80.3	80%	0.797	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	46	44.8	177.7	-163.5	27.4	0	0	0	114.1	L74 A75	L74-N77 PolarHBondContact O-N 3.02Å; A75-N77 PolarHBondContact O-N 3.04Å
78	L	95.9	Very high	97.6	Very high	73 Å²	73	76.3 Å²	76.3	38%	0.382	40%	0.396	S	S	.	.			trans	-71.9	147.5	-176.3	-59	175.9	0	0	0	111.7	L73 K76	L73-L78 HydrophobicContact CD2-CD1 4.09Å; K76-L78 HydrophobicContact CB-CD1 4.39Å; K76-L78 HydrophobicContact CB-CD2 4.08Å; K76-L78 HydrophobicContact CB-CG 3.85Å; K76-L78 PolarHBondContact O-N 2.72Å; K76-L78 VanDerWaalsContact O-N 3.12Å
79	N	95.9	Very high	97.6	Very high	96 Å²	96	76.9 Å²	76.9	51%	0.513	41%	0.406	S	S	.	.			trans	-61.2	167.4	174.1	69	58.7	0	0	0	113	E81 R312	N79-E81 HydrophobicContact CB-CG 4.29Å; N79-E81 WeakPolarHBondContact OD1-CB 3.36Å; N79-E81 PolarHBondContact OD1-N 2.91Å; N79-E81 VanDerWaalsContact OD1-N 3.16Å; N79-R312 PolarHBondContact O-NH1 3.47Å; N79-R312 PolarHBondContact O-NH2 3.36Å; N79-R312 VanDerWaalsContact O-NH2 3.07Å
80	K	96	Very high	97.6	Very high	161 Å²	161	81.8 Å²	81.8	70%	0.7	43%	0.429	S	S	*	.			trans	-112.9	27.7	178.4	-56.8	-66.5	-176.4	166	0	112.6
81	E	97.5	Very high	97.6	Very high	128 Å²	128	78.4 Å²	78.4	60%	0.598	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-69.6	160.8	179.3	-66.8	-60.9	153.1	0	0	112.4	N79	N79-E81 HydrophobicContact CB-CG 4.29Å; N79-E81 WeakPolarHBondContact OD1-CB 3.36Å; N79-E81 PolarHBondContact OD1-N 2.91Å; N79-E81 VanDerWaalsContact OD1-N 3.16Å
82	Y	97.8	Very high	97.6	Very high	190 Å²	190	75.1 Å²	75.1	75%	0.745	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-57.5	142.9	175.4	-63.5	-64.6	0	0	0	112.2	N305	Y82-N305 WeakPolarHBondContact CD1-ND2 3.45Å
83	A	97.2	Very high	97.7	Very high	11 Å²	11	76.5 Å²	76.5	9%	0.091	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-71.5	161	164.9	0	0	0	0	0	110.6	N305 I308	A83-N305 PolarHBondContact N-OD1 2.98Å; A83-N305 WeakPolarHBondContact O-CB 3.32Å; A83-I308 HydrophobicContact CB-CG2 3.7Å
84	P	98.3	Very high	97.7	Very high	71 Å²	71	77.2 Å²	77.2	46%	0.461	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-51.3	155.8	157.8	-23.6	34	0	0	0	111.2	S86 G87	P84-S86 PolarHBondContact O-N 3Å; P84-G87 WeakPolarHBondContact O-CA 3.47Å; P84-G87 PolarHBondContact O-N 2.82Å
85	I	98.6	Very high	97.8	Very high	51 Å²	51	70.3 Å²	70.3	26%	0.262	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-39.7	178.9	-63.5	172.9	0	0	0	111.6	G87 K296 I299 R300	I85-G87 PolarHBondContact O-N 3.3Å; I85-K296 HydrophobicContact CB-CB 4.46Å; I85-K296 HydrophobicContact CB-CG 4.38Å; I85-K296 HydrophobicContact CG2-CB 3.88Å; I85-K296 HydrophobicContact CG2-CG 4.11Å; I85-K296 WeakPolarHBondContact CG2-O 3.15Å; I85-I299 HydrophobicContact CG2-CB 3.97Å; I85-I299 HydrophobicContact CG2-CG2 3.7Å; I85-R300 HydrophobicContact CD1-CB 4.42Å; I85-R300 HydrophobicContact CD1-CG 4.49Å
86	S	98.4	Very high	97.8	Very high	18 Å²	18	66.4 Å²	66.4	13%	0.126	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-10.4	176	48.7	0	0	0	0	114.1	P84 C92 T115 Q116	P84-S86 PolarHBondContact O-N 3Å; S86-C92 PolarHBondContact O-SG 3.09Å; S86-C92 VanDerWaalsContact O-SG 3.37Å; S86-T115 CarbonylContact O-C 3.5Å; S86-T115 VanDerWaalsContact O-CA 3.32Å; S86-T115 WeakPolarHBondContact O-CA 3.42Å; S86-Q116 PolarHBondContact O-N 3Å
87	G	98.7	Very high	97.9	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.326	C	S	.	.			trans	96.1	-170.7	-173.7	0	0	0	0	0	114.7	P84 I85 P89	P84-G87 WeakPolarHBondContact O-CA 3.47Å; P84-G87 PolarHBondContact O-N 2.82Å; I85-G87 PolarHBondContact O-N 3.3Å; G87-P89 WeakPolarHBondContact O-CD 3.21Å
88	I	98.3	Very high	98	Very high	29 Å²	29	58 Å²	58	15%	0.149	29%	0.289	C	S	.	.			trans	-68.5	119.5	178.8	-58.7	175.5	0	0	0	108.5	Q90 F91 C92 I308 A311 R312	I88-Q90 VanDerWaalsContact C-N 3.34Å; I88-Q90 PolarHBondContact O-N 3.38Å; I88-F91 HydrophobicContact CB-CB 3.95Å; I88-F91 HydrophobicContact CG2-CB 4.28Å; I88-F91 WeakPolarHBondContact O-CB 3.41Å; I88-F91 PolarHBondContact O-N 2.86Å; I88-F91 VanDerWaalsContact O-N 3.1Å; I88-C92 PolarHBondContact O-N 3.33Å; I88-C92 PolarHBondContact O-SG 3.39Å; I88-I308 HydrophobicContact CD1-CB 4.36Å; I88-I308 HydrophobicContact CD1-CG2 4.35Å; I88-I308 HydrophobicContact CG1-CG2 4.49Å; I88-A311 HydrophobicContact CD1-CB 3.92Å; I88-R312 HydrophobicContact CD1-CG 3.67Å
89	P	98.4	Very high	98.2	Very high	81 Å²	81	54.5 Å²	54.5	53%	0.526	27%	0.271	S	S	.	.	H	α-helix	trans	-56.1	-46.1	-175	-28.6	36.1	0	0	0	113.2	G87 F91 C92 D93	G87-P89 WeakPolarHBondContact O-CD 3.21Å; P89-F91 VanDerWaalsContact C-N 3.32Å; P89-F91 PolarHBondContact O-N 3.45Å; P89-C92 WeakPolarHBondContact O-CB 3.33Å; P89-C92 PolarHBondContact O-N 2.84Å; P89-C92 VanDerWaalsContact O-N 3.08Å; P89-D93 PolarHBondContact O-N 3.16Å
90	Q	98.5	Very high	98.3	Very high	104 Å²	104	50 Å²	50	49%	0.486	25%	0.246	S	C	.	.	H	α-helix	trans	-62.6	-36.7	179	-167	-177.8	13.1	0	0	112.8	I88 L94 T315	I88-Q90 VanDerWaalsContact C-N 3.34Å; I88-Q90 PolarHBondContact O-N 3.38Å; Q90-L94 HydrophobicContact CG-CD1 3.91Å; Q90-L94 HydrophobicContact CG-CG 4.47Å; Q90-L94 WeakPolarHBondContact O-CB 3.38Å; Q90-L94 WeakPolarHBondContact O-CD1 3.48Å; Q90-L94 VanDerWaalsContact O-CG 3.22Å; Q90-L94 WeakPolarHBondContact O-CG 3.47Å; Q90-L94 PolarHBondContact O-N 3.35Å; Q90-T315 HydrophobicContact CB-CG2 4.15Å; Q90-T315 HydrophobicContact CG-CG2 3.83Å
91	F	98.9	Very high	98.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.4	-44.8	173.4	172.4	-98.7	0	0	0	110.8	I88 P89 D93 L94 S95 Q116 F264 V275 G276 A277 A311 A314 T315 M318	I88-F91 HydrophobicContact CB-CB 3.95Å; I88-F91 HydrophobicContact CG2-CB 4.28Å; I88-F91 WeakPolarHBondContact O-CB 3.41Å; I88-F91 PolarHBondContact O-N 2.86Å; I88-F91 VanDerWaalsContact O-N 3.1Å; P89-F91 VanDerWaalsContact C-N 3.32Å; P89-F91 PolarHBondContact O-N 3.45Å; F91-D93 PolarHBondContact O-N 3.07Å; F91-L94 PolarHBondContact O-N 3.33Å; F91-S95 VanDerWaalsContact O-CB 3.24Å; F91-S95 WeakPolarHBondContact O-CB 3.31Å; F91-S95 PolarHBondContact O-N 3.14Å; F91-S95 PolarHBondContact O-OG 3.47Å; F91-Q116 HydrophobicContact CD1-CB 3.73Å; F91-Q116 HydrophobicContact CD1-CG 3.71Å; F91-Q116 HydrophobicContact CE1-CB 3.8Å; F91-Q116 HydrophobicContact CE1-CG 3.56Å; F91-F264 HydrophobicContact CE2-CD2 4.07Å; F91-F264 AromaticContact CE2-CE2 3.79Å; F91-F264 HydrophobicContact CE2-CE2 3.79Å; F91-F264 HydrophobicContact CE2-CZ 4.17Å; F91-F264 AromaticContact CZ-CD2 3.8Å; F91-F264 HydrophobicContact CZ-CD2 3.8Å; F91-F264 AromaticContact CZ-CE2 3.43Å; F91-F264 HydrophobicContact CZ-CE2 3.43Å; F91-F264 VanDerWaalsContact CZ-CE2 3.43Å; F91-F264 HydrophobicContact CZ-CZ 4.17Å; F91-V275 HydrophobicContact CD2-CG1 4.49Å; F91-V275 HydrophobicContact CE2-CG1 3.48Å; F91-V275 VanDerWaalsContact CE2-CG1 3.48Å; F91-V275 HydrophobicContact CZ-CG1 3.49Å; F91-V275 VanDerWaalsContact CZ-CG1 3.49Å; F91-G276 WeakPolarHBondContact CE1-O 3.4Å; F91-A277 HydrophobicContact CE1-CB 4.2Å; F91-A311 HydrophobicContact CD1-CB 4.48Å; F91-A311 HydrophobicContact CD2-CB 4.18Å; F91-A311 HydrophobicContact CG-CB 4.12Å; F91-A314 HydrophobicContact CD2-CB 4.04Å; F91-A314 HydrophobicContact CE2-CB 3.76Å; F91-T315 WeakPolarHBondContact CB-OG1 3.47Å; F91-M318 HydrophobicContact CD2-CE 3.97Å; F91-M318 HydrophobicContact CE2-CE 4.09Å
92	C	98.8	Very high	98.2	Very high	8 Å²	8	42.4 Å²	42.4	5%	0.054	22%	0.22	C	C	.	.	H	α-helix	trans	-59.3	-48.9	178.6	-62.1	0	0	0	0	110.3	S86 I88 P89 L94 S95 I96 T114	S86-C92 PolarHBondContact O-SG 3.09Å; S86-C92 VanDerWaalsContact O-SG 3.37Å; I88-C92 PolarHBondContact O-N 3.33Å; I88-C92 PolarHBondContact O-SG 3.39Å; P89-C92 WeakPolarHBondContact O-CB 3.33Å; P89-C92 PolarHBondContact O-N 2.84Å; P89-C92 VanDerWaalsContact O-N 3.08Å; C92-L94 PolarHBondContact O-N 2.78Å; C92-S95 PolarHBondContact O-N 2.82Å; C92-S95 PolarHBondContact O-OG 3.02Å; C92-I96 PolarHBondContact O-N 3.37Å; C92-T114 HydrophobicContact CB-CG2 3.87Å; C92-T114 WeakPolarHBondContact O-CG2 3.49Å
93	D	98.5	Very high	98.1	Very high	90 Å²	90	39.8 Å²	39.8	48%	0.481	21%	0.214	S	C	.	.	H	α-helix	trans	-59	-48	177.7	-66.5	-19.6	0	0	0	112.1	P89 F91 I96 K97	P89-D93 PolarHBondContact O-N 3.16Å; F91-D93 PolarHBondContact O-N 3.07Å; D93-I96 VanDerWaalsContact O-CG2 3.32Å; D93-I96 WeakPolarHBondContact O-CG2 3.33Å; D93-K97 WeakPolarHBondContact O-CB 3.12Å; D93-K97 VanDerWaalsContact O-CD 3.3Å; D93-K97 WeakPolarHBondContact O-CD 3.31Å; D93-K97 WeakPolarHBondContact O-CG 3.38Å; D93-K97 PolarHBondContact O-N 3.26Å; D93-K97 VanDerWaalsContact O-N 3.14Å
94	L	98.7	Very high	98.1	Very high	30 Å²	30	39.4 Å²	39.4	16%	0.157	21%	0.211	C	C	.	.	H	α-helix	trans	-69.1	-34.7	-179.1	-69.3	167.5	0	0	0	112.4	Q90 F91 C92 K97 L98 T315 M318	Q90-L94 HydrophobicContact CG-CD1 3.91Å; Q90-L94 HydrophobicContact CG-CG 4.47Å; Q90-L94 WeakPolarHBondContact O-CB 3.38Å; Q90-L94 WeakPolarHBondContact O-CD1 3.48Å; Q90-L94 VanDerWaalsContact O-CG 3.22Å; Q90-L94 WeakPolarHBondContact O-CG 3.47Å; Q90-L94 PolarHBondContact O-N 3.35Å; F91-L94 PolarHBondContact O-N 3.33Å; C92-L94 PolarHBondContact O-N 2.78Å; L94-K97 PolarHBondContact O-N 2.93Å; L94-L98 PolarHBondContact O-N 3.41Å; L94-T315 HydrophobicContact CD1-CG2 3.93Å; L94-M318 HydrophobicContact CB-CB 4.02Å; L94-M318 HydrophobicContact CB-CE 3.73Å; L94-M318 HydrophobicContact CB-SD 3.95Å; L94-M318 HydrophobicContact CD1-CB 3.93Å; L94-M318 HydrophobicContact CD2-CB 4.31Å; L94-M318 HydrophobicContact CG-CB 4.32Å
95	S	98.8	Very high	98	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.8	-50.1	178.7	69.8	0	0	0	0	111.4	F91 C92 K97 L98 A99 Q262 A277	F91-S95 VanDerWaalsContact O-CB 3.24Å; F91-S95 WeakPolarHBondContact O-CB 3.31Å; F91-S95 PolarHBondContact O-N 3.14Å; F91-S95 PolarHBondContact O-OG 3.47Å; C92-S95 PolarHBondContact O-N 2.82Å; C92-S95 PolarHBondContact O-OG 3.02Å; S95-K97 PolarHBondContact O-N 2.82Å; S95-L98 WeakPolarHBondContact O-CB 3.4Å; S95-L98 PolarHBondContact O-N 2.83Å; S95-A99 PolarHBondContact O-N 3.3Å; S95-Q262 PolarHBondContact O-NE2 3.44Å; S95-Q262 PolarHBondContact O-OE1 2.89Å; S95-A277 WeakPolarHBondContact OG-CB 3.45Å
96	I	98.7	Very high	97.9	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-68.6	-35	178.9	-169.9	53.1	0	0	0	112.2	C92 D93 L98 A99 L100 I107 T114 L260 T279 L281	C92-I96 PolarHBondContact O-N 3.37Å; D93-I96 VanDerWaalsContact O-CG2 3.32Å; D93-I96 WeakPolarHBondContact O-CG2 3.33Å; I96-L98 VanDerWaalsContact C-N 3.29Å; I96-L98 PolarHBondContact O-N 2.82Å; I96-A99 PolarHBondContact O-N 3.27Å; I96-A99 VanDerWaalsContact O-N 3.15Å; I96-L100 HydrophobicContact CD1-CD1 3.67Å; I96-L100 HydrophobicContact CD1-CG 3.88Å; I96-L100 HydrophobicContact CG1-CD1 4.07Å; I96-L100 HydrophobicContact CG1-CG 4.45Å; I96-L100 PolarHBondContact O-N 3.46Å; I96-I107 HydrophobicContact CG1-CD1 4.2Å; I96-I107 HydrophobicContact CG1-CG1 4.22Å; I96-I107 HydrophobicContact CG2-CD1 4.19Å; I96-I107 HydrophobicContact CG2-CG1 4.27Å; I96-T114 HydrophobicContact CB-CG2 4.4Å; I96-L260 HydrophobicContact CD1-CD2 3.91Å; I96-T279 HydrophobicContact CD1-CG2 3.68Å; I96-T279 HydrophobicContact CG1-CG2 4.14Å; I96-L281 HydrophobicContact CD1-CD2 4.38Å
97	K	98.5	Very high	97.8	Very high	71 Å²	71	37.3 Å²	37.3	31%	0.309	20%	0.197	S	C	.	.	H	α-helix	trans	-63	-33.5	173	-73.8	168	175.9	-139.6	0	112.7	D93 L94 S95 A99 T101 D102 I107	D93-K97 WeakPolarHBondContact O-CB 3.12Å; D93-K97 VanDerWaalsContact O-CD 3.3Å; D93-K97 WeakPolarHBondContact O-CD 3.31Å; D93-K97 WeakPolarHBondContact O-CG 3.38Å; D93-K97 PolarHBondContact O-N 3.26Å; D93-K97 VanDerWaalsContact O-N 3.14Å; L94-K97 PolarHBondContact O-N 2.93Å; S95-K97 PolarHBondContact O-N 2.82Å; K97-A99 VanDerWaalsContact C-N 3.3Å; K97-A99 PolarHBondContact O-N 3.02Å; K97-T101 WeakPolarHBondContact O-CA 3.09Å; K97-T101 PolarHBondContact O-N 3.48Å; K97-D102 WeakPolarHBondContact CD-OD1 3.38Å; K97-D102 WeakPolarHBondContact CE-OD1 3.17Å; K97-D102 WeakPolarHBondContact CG-OD1 3.45Å; K97-D102 IonicContact NZ-OD1 3.54Å; K97-D102 PolarHBondContact NZ-OD1 3.29Å; K97-I107 HydrophobicContact CG-CD1 3.93Å
98	L	98.4	Very high	97.8	Very high	4 Å²	4	43 Å²	43	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-61.4	-42.2	173.7	-175.4	67.1	0	0	0	110.9	L94 S95 I96 Q232 I239 R247 F264 M318 W327	L94-L98 PolarHBondContact O-N 3.41Å; S95-L98 WeakPolarHBondContact O-CB 3.4Å; S95-L98 PolarHBondContact O-N 2.83Å; I96-L98 VanDerWaalsContact C-N 3.29Å; I96-L98 PolarHBondContact O-N 2.82Å; L98-Q232 PolarHBondContact O-NE2 2.87Å; L98-I239 HydrophobicContact CD1-CB 4.28Å; L98-I239 HydrophobicContact CD1-CD1 3.74Å; L98-I239 HydrophobicContact CD1-CG2 4.26Å; L98-R247 PolarHBondContact O-NH2 2.78Å; L98-F264 HydrophobicContact CD2-CE1 3.82Å; L98-F264 HydrophobicContact CD2-CZ 4.49Å; L98-M318 HydrophobicContact CD2-SD 4.42Å; L98-W327 HydrophobicContact CD1-CH2 3.85Å; L98-W327 HydrophobicContact CD1-CZ3 4.11Å; L98-W327 HydrophobicContact CD2-CH2 3.93Å
99	A	98.6	Very high	97.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-73.1	-46.8	179.6	0	0	0	0	0	112.9	S95 I96 K97 R247 L260	S95-A99 PolarHBondContact O-N 3.3Å; I96-A99 PolarHBondContact O-N 3.27Å; I96-A99 VanDerWaalsContact O-N 3.15Å; K97-A99 VanDerWaalsContact C-N 3.3Å; K97-A99 PolarHBondContact O-N 3.02Å; A99-R247 PolarHBondContact O-NE 2.82Å; A99-R247 PolarHBondContact O-NH2 3.17Å; A99-L260 HydrophobicContact CB-CD2 3.6Å
100	L	98.3	Very high	97.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-108.1	-7	-167.6	-56.4	-176	0	0	0	115.4	I96 S104 R106 I107 I246 T250 L281	I96-L100 HydrophobicContact CD1-CD1 3.67Å; I96-L100 HydrophobicContact CD1-CG 3.88Å; I96-L100 HydrophobicContact CG1-CD1 4.07Å; I96-L100 HydrophobicContact CG1-CG 4.45Å; I96-L100 PolarHBondContact O-N 3.46Å; L100-S104 WeakPolarHBondContact O-CB 3.33Å; L100-R106 HydrophobicContact CD1-CB 4.41Å; L100-I107 HydrophobicContact CB-CD1 4.05Å; L100-I246 HydrophobicContact CD2-CG2 3.59Å; L100-T250 HydrophobicContact CD2-CG2 3.97Å; L100-L281 HydrophobicContact CD1-CD1 3.83Å; L100-L281 HydrophobicContact CD1-CD2 4Å
101	T	97.2	Very high	97.7	Very high	42 Å²	42	47.5 Å²	47.5	26%	0.258	23%	0.231	S	C	.	.			trans	67.1	160.8	-167.8	82.8	0	0	0	0	114	K97 Q103 S104 I107	K97-T101 WeakPolarHBondContact O-CA 3.09Å; K97-T101 PolarHBondContact O-N 3.48Å; T101-Q103 PolarHBondContact O-N 2.86Å; T101-Q103 VanDerWaalsContact O-N 3.12Å; T101-Q103 PolarHBondContact OG1-N 2.86Å; T101-S104 PolarHBondContact O-N 2.86Å; T101-I107 WeakPolarHBondContact O-CD1 3.47Å
102	D	94.5	Very high	97.7	Very high	89 Å²	89	49 Å²	49	48%	0.476	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-14.5	172.3	-69.2	-65.4	0	0	0	113.8	K97 K108	K97-D102 WeakPolarHBondContact CD-OD1 3.38Å; K97-D102 WeakPolarHBondContact CE-OD1 3.17Å; K97-D102 WeakPolarHBondContact CG-OD1 3.45Å; K97-D102 IonicContact NZ-OD1 3.54Å; K97-D102 PolarHBondContact NZ-OD1 3.29Å; D102-K108 WeakPolarHBondContact O-CE 3.32Å
103	Q	95.3	Very high	97.7	Very high	135 Å²	135	48.6 Å²	48.6	63%	0.631	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-16	-176.9	-60.2	-53.6	-34.4	0	0	113.7	T101 S105 K108	T101-Q103 PolarHBondContact O-N 2.86Å; T101-Q103 VanDerWaalsContact O-N 3.12Å; T101-Q103 PolarHBondContact OG1-N 2.86Å; Q103-S105 PolarHBondContact O-N 3.28Å; Q103-K108 PolarHBondContact O-NZ 3.35Å
104	S	97.1	Very high	97.7	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.021	22%	0.217	C	C	.	.			trans	-60	130.8	-177.8	-177.5	0	0	0	0	111.8	L100 T101 R106 I107 K108 D251	L100-S104 WeakPolarHBondContact O-CB 3.33Å; T101-S104 PolarHBondContact O-N 2.86Å; S104-R106 PolarHBondContact O-N 2.84Å; S104-R106 PolarHBondContact OG-N 3.49Å; S104-I107 PolarHBondContact O-N 2.97Å; S104-I107 VanDerWaalsContact O-N 3.15Å; S104-K108 PolarHBondContact O-N 3Å; S104-K108 VanDerWaalsContact O-N 3.12Å; S104-D251 PolarHBondContact OG-OD1 2.76Å
105	S	96.5	Very high	97.7	Very high	53 Å²	53	43.4 Å²	43.4	37%	0.371	21%	0.21	S	C	.	.	H	α-helix	trans	-59.8	-30.6	176	60.9	0	0	0	0	111.8	Q103 I107 K108 N109	Q103-S105 PolarHBondContact O-N 3.28Å; S105-I107 VanDerWaalsContact C-N 3.3Å; S105-I107 PolarHBondContact O-N 3.39Å; S105-K108 PolarHBondContact O-N 3.33Å; S105-N109 WeakPolarHBondContact O-CB 3.39Å; S105-N109 PolarHBondContact O-N 2.92Å; S105-N109 PolarHBondContact O-ND2 2.98Å
106	R	97.2	Very high	97.7	Very high	13 Å²	13	43.5 Å²	43.5	5%	0.049	21%	0.21	C	C	.	.	H	α-helix	trans	-62	-37.6	177.5	-60.9	-66.5	170.7	145.3	3.4	112.1	L100 S104 R110 C111 N112 N254 F255 P256 L281 C282	L100-R106 HydrophobicContact CD1-CB 4.41Å; S104-R106 PolarHBondContact O-N 2.84Å; S104-R106 PolarHBondContact OG-N 3.49Å; R106-R110 PolarHBondContact O-N 3.5Å; R106-C111 PolarHBondContact O-N 2.96Å; R106-N112 PolarHBondContact O-OD1 3.13Å; R106-N254 PolarHBondContact NH2-OD1 2.98Å; R106-F255 PolarHBondContact NH2-O 3.39Å; R106-P256 PolarHBondContact NH1-O 2.68Å; R106-L281 HydrophobicContact CB-CD2 4.21Å; R106-L281 HydrophobicContact CG-CD1 4.37Å; R106-C282 PolarHBondContact NH1-O 2.93Å
107	I	97.1	Very high	97.8	Very high	29 Å²	29	43.4 Å²	43.4	15%	0.149	21%	0.21	C	C	.	.	H	α-helix	trans	-78.4	-49.1	177.2	-65.5	166.8	0	0	0	110.3	I96 K97 L100 T101 S104 S105 N109 R110	I96-I107 HydrophobicContact CG1-CD1 4.2Å; I96-I107 HydrophobicContact CG1-CG1 4.22Å; I96-I107 HydrophobicContact CG2-CD1 4.19Å; I96-I107 HydrophobicContact CG2-CG1 4.27Å; K97-I107 HydrophobicContact CG-CD1 3.93Å; L100-I107 HydrophobicContact CB-CD1 4.05Å; T101-I107 WeakPolarHBondContact O-CD1 3.47Å; S104-I107 PolarHBondContact O-N 2.97Å; S104-I107 VanDerWaalsContact O-N 3.15Å; S105-I107 VanDerWaalsContact C-N 3.3Å; S105-I107 PolarHBondContact O-N 3.39Å; I107-N109 VanDerWaalsContact C-N 3.26Å; I107-N109 PolarHBondContact O-N 3.28Å; I107-R110 PolarHBondContact O-N 2.91Å
108	K	97.5	Very high	97.7	Very high	119 Å²	119	42.8 Å²	42.8	52%	0.517	21%	0.209	S	C	.	.	H	α-helix	trans	-57.6	-39.1	-179.2	-72.2	176	177.8	165.3	0	112.6	D102 Q103 S104 S105	D102-K108 WeakPolarHBondContact O-CE 3.32Å; Q103-K108 PolarHBondContact O-NZ 3.35Å; S104-K108 PolarHBondContact O-N 3Å; S104-K108 VanDerWaalsContact O-N 3.12Å; S105-K108 PolarHBondContact O-N 3.33Å
109	N	97.6	Very high	97.7	Very high	101 Å²	101	42.8 Å²	42.8	54%	0.54	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	5.1	-179.5	-59.8	-21.9	0	0	0	113.3	S105 I107 C111	S105-N109 WeakPolarHBondContact O-CB 3.39Å; S105-N109 PolarHBondContact O-N 2.92Å; S105-N109 PolarHBondContact O-ND2 2.98Å; I107-N109 VanDerWaalsContact C-N 3.26Å; I107-N109 PolarHBondContact O-N 3.28Å; N109-C111 PolarHBondContact O-N 2.84Å
110	R	97.9	Very high	97.7	Very high	197 Å²	197	43.1 Å²	43.1	74%	0.743	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.4	34.7	-179	-53.3	-179.1	-178.7	178.3	0	113.8	R106 I107 N112 S285	R106-R110 PolarHBondContact O-N 3.5Å; I107-R110 PolarHBondContact O-N 2.91Å; R110-N112 PolarHBondContact O-N 3.45Å; R110-S285 WeakPolarHBondContact O-CA 3.45Å
111	C	98.4	Very high	97.7	Very high	11 Å²	11	45.2 Å²	45.2	7%	0.074	23%	0.226	C	C	.	.			trans	-89.3	31.6	178.6	-55.8	0	0	0	0	112.3	R106 N109 C282 S284	R106-C111 PolarHBondContact O-N 2.96Å; N109-C111 PolarHBondContact O-N 2.84Å; C111-C282 VanDerWaalsContact CB-O 3.31Å; C111-C282 WeakPolarHBondContact CB-O 3.45Å; C111-C282 PolarHBondContact O-N 2.87Å; C111-S284 VanDerWaalsContact SG-C 3.59Å
112	N	98.6	Very high	97.8	Very high	31 Å²	31	43.7 Å²	43.7	17%	0.166	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	131.2	179.4	67.4	-75	0	0	0	111.4	R106 R110 T114 T279 L280 L281	R106-N112 PolarHBondContact O-OD1 3.13Å; R110-N112 PolarHBondContact O-N 3.45Å; N112-T114 PolarHBondContact ND2-OG1 3.43Å; N112-T279 HydrophobicContact CB-CG2 3.96Å; N112-L280 WeakPolarHBondContact CA-O 3.31Å; N112-L281 HydrophobicContact CB-CD2 3.54Å
113	A	98.7	Very high	98	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	92.9	170	0	0	0	0	0	109	T279 L280 C291 L292 I295	A113-T279 WeakPolarHBondContact O-CA 3.47Å; A113-L280 HydrophobicContact CB-CB 4.35Å; A113-L280 PolarHBondContact N-O 3.15Å; A113-L280 PolarHBondContact O-N 3.3Å; A113-C291 HydrophobicContact CB-CB 4.36Å; A113-L292 HydrophobicContact CB-CB 3.78Å; A113-L292 HydrophobicContact CB-CD1 4.4Å; A113-I295 HydrophobicContact CB-CD1 3.94Å
114	T	98.9	Very high	98.2	Very high	12 Å²	12	33 Å²	33	7%	0.074	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	134	-178	-57.1	0	0	0	0	111.4	C92 I96 N112 F278 T279	C92-T114 HydrophobicContact CB-CG2 3.87Å; C92-T114 WeakPolarHBondContact O-CG2 3.49Å; I96-T114 HydrophobicContact CB-CG2 4.4Å; N112-T114 PolarHBondContact ND2-OG1 3.43Å; T114-F278 CarbonylContact C-O 3.5Å; T114-F278 WeakPolarHBondContact CA-O 3.45Å; T114-T279 WeakPolarHBondContact CB-OG1 3.29Å; T114-T279 VanDerWaalsContact CG2-OG1 3.26Å; T114-T279 WeakPolarHBondContact CG2-OG1 3.41Å; T114-T279 VanDerWaalsContact OG1-CG2 3.3Å; T114-T279 WeakPolarHBondContact OG1-CG2 3.41Å; T114-T279 PolarHBondContact OG1-OG1 2.87Å
115	T	98.9	Very high	98.3	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	143.2	175.1	58	0	0	0	0	110.9	S86 A277 F278 L292 I295 I299	S86-T115 CarbonylContact O-C 3.5Å; S86-T115 VanDerWaalsContact O-CA 3.32Å; S86-T115 WeakPolarHBondContact O-CA 3.42Å; T115-A277 CarbonylContact O-C 3.52Å; T115-A277 WeakPolarHBondContact O-CA 3.27Å; T115-F278 PolarHBondContact N-O 3.35Å; T115-F278 PolarHBondContact O-N 3.25Å; T115-F278 PolarHBondContact OG1-O 2.84Å; T115-L292 HydrophobicContact CG2-CD1 3.58Å; T115-I295 HydrophobicContact CG2-CG2 3.67Å; T115-I299 HydrophobicContact CG2-CD1 4Å
116	Q	98.9	Very high	98.4	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	141.1	166.1	-178.1	-172.4	-26.2	0	0	109.9	S86 F91 G276 Y303 P306 P307 A311	S86-Q116 PolarHBondContact O-N 3Å; F91-Q116 HydrophobicContact CD1-CB 3.73Å; F91-Q116 HydrophobicContact CD1-CG 3.71Å; F91-Q116 HydrophobicContact CE1-CB 3.8Å; F91-Q116 HydrophobicContact CE1-CG 3.56Å; Q116-G276 WeakPolarHBondContact CA-O 3.33Å; Q116-Y303 PolarHBondContact O-OH 3.01Å; Q116-P306 HydrophobicContact CB-CB 4.3Å; Q116-P306 HydrophobicContact CB-CG 3.73Å; Q116-P306 HydrophobicContact CG-CB 3.81Å; Q116-P306 HydrophobicContact CG-CG 3.7Å; Q116-P307 PolarHBondContact NE2-O 3.33Å; Q116-A311 VanDerWaalsContact CD-CB 3.47Å; Q116-A311 HydrophobicContact CG-CB 4.49Å
117	T	98.9	Very high	98.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	173.7	-177.8	63.2	0	0	0	0	111	S119 A123 V126 G276 A277 F278	T117-S119 VanDerWaalsContact C-N 3.29Å; T117-S119 PolarHBondContact O-N 3.07Å; T117-S119 PolarHBondContact OG1-O 2.75Å; T117-A123 HydrophobicContact CG2-CB 4.3Å; T117-A123 WeakPolarHBondContact OG1-CB 3.41Å; T117-A123 PolarHBondContact OG1-N 2.93Å; T117-V126 HydrophobicContact CG2-CG2 4.29Å; T117-G276 PolarHBondContact N-O 3.18Å; T117-G276 PolarHBondContact O-N 2.53Å; T117-A277 PolarHBondContact OG1-N 2.96Å; T117-F278 HydrophobicContact CG2-CB 3.74Å
118	I	98.4	Very high	98.5	Very high	59 Å²	59	32.4 Å²	32.4	30%	0.303	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	78.7	176.2	-54.4	177.6	0	0	0	108.8	G122 R274 Y303	I118-G122 WeakPolarHBondContact O-CA 3.47Å; I118-G122 PolarHBondContact O-N 3.48Å; I118-R274 CarbonylContact C-O 3.49Å; I118-R274 WeakPolarHBondContact CA-O 3.45Å; I118-R274 HydrophobicContact CG2-CB 3.58Å; I118-R274 HydrophobicContact CG2-CG 4.12Å; I118-Y303 HydrophobicContact CD1-CD1 3.87Å; I118-Y303 HydrophobicContact CD1-CD2 4.24Å; I118-Y303 HydrophobicContact CD1-CG 3.69Å; I118-Y303 HydrophobicContact CG1-CD1 4.3Å; I118-Y303 HydrophobicContact CG1-CD2 4.39Å; I118-Y303 HydrophobicContact CG1-CG 4.24Å
119	S	98.1	Very high	98.6	Very high	4 Å²	4	27.4 Å²	27.4	3%	0.028	13%	0.133	C	C	.	.	H	α-helix	trans	60	-168.5	-177.5	-163.3	0	0	0	0	112.9	T117 T121 G122 A123 S263 R274 V275	T117-S119 VanDerWaalsContact C-N 3.29Å; T117-S119 PolarHBondContact O-N 3.07Å; T117-S119 PolarHBondContact OG1-O 2.75Å; S119-T121 VanDerWaalsContact C-N 3.25Å; S119-T121 PolarHBondContact O-N 2.73Å; S119-G122 PolarHBondContact O-N 3.34Å; S119-A123 PolarHBondContact O-N 3.08Å; S119-S263 PolarHBondContact OG-OG 3.1Å; S119-R274 VanDerWaalsContact CB-CZ 3.41Å; S119-R274 PolarHBondContact N-O 3.02Å; S119-R274 PolarHBondContact OG-NH1 3.23Å; S119-R274 PolarHBondContact OG-NH2 3.29Å; S119-V275 WeakPolarHBondContact CA-O 3.37Å
120	G	98.3	Very high	98.7	Very high	6 Å²	6	23.8 Å²	23.8	6%	0.062	11%	0.113	C	C	.	.	H	α-helix	trans	-60	-33.8	176	0	0	0	0	0	113	A123 L124	G120-A123 WeakPolarHBondContact O-CB 3.48Å; G120-A123 PolarHBondContact O-N 3.31Å; G120-L124 WeakPolarHBondContact O-CB 3.26Å; G120-L124 WeakPolarHBondContact O-CD1 3.4Å; G120-L124 VanDerWaalsContact O-CG 3.25Å; G120-L124 WeakPolarHBondContact O-CG 3.39Å; G120-L124 PolarHBondContact O-N 3.05Å
121	T	98.4	Very high	98.7	Very high	45 Å²	45	14.5 Å²	14.5	28%	0.276	8%	0.078	S	C	.	.	H	α-helix	trans	-62	-48	177.3	-51.9	0	0	0	0	112.4	S119 A123 L124 R125 W147 I153	S119-T121 VanDerWaalsContact C-N 3.25Å; S119-T121 PolarHBondContact O-N 2.73Å; T121-A123 VanDerWaalsContact C-N 3.31Å; T121-L124 PolarHBondContact O-N 3.31Å; T121-R125 WeakPolarHBondContact O-CB 3.47Å; T121-R125 PolarHBondContact O-N 3.29Å; T121-W147 WeakPolarHBondContact OG1-CH2 3.34Å; T121-I153 HydrophobicContact CG2-CD1 4.01Å; T121-I153 HydrophobicContact CG2-CG1 4.47Å
122	G	98.7	Very high	98.7	Very high	10 Å²	10	16.1 Å²	16.1	10%	0.103	9%	0.086	C	C	.	.	H	α-helix	trans	-63.4	-40.7	175.3	0	0	0	0	0	111.3	I118 S119 R125 V126	I118-G122 WeakPolarHBondContact O-CA 3.47Å; I118-G122 PolarHBondContact O-N 3.48Å; S119-G122 PolarHBondContact O-N 3.34Å; G122-R125 PolarHBondContact O-N 3.29Å; G122-V126 VanDerWaalsContact O-CG2 3.31Å; G122-V126 WeakPolarHBondContact O-CG2 3.32Å; G122-V126 PolarHBondContact O-N 3.49Å
123	A	98.9	Very high	98.7	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-60	-48.2	177.2	0	0	0	0	0	112.8	T117 S119 G120 T121 R125 V126 G127 T261 A277 F278	T117-A123 HydrophobicContact CG2-CB 4.3Å; T117-A123 WeakPolarHBondContact OG1-CB 3.41Å; T117-A123 PolarHBondContact OG1-N 2.93Å; S119-A123 PolarHBondContact O-N 3.08Å; G120-A123 WeakPolarHBondContact O-CB 3.48Å; G120-A123 PolarHBondContact O-N 3.31Å; T121-A123 VanDerWaalsContact C-N 3.31Å; A123-R125 VanDerWaalsContact C-N 3.33Å; A123-R125 PolarHBondContact O-N 2.79Å; A123-V126 PolarHBondContact O-N 3.32Å; A123-G127 PolarHBondContact O-N 3.22Å; A123-T261 VanDerWaalsContact C-CG2 3.45Å; A123-T261 HydrophobicContact CB-CG2 3.47Å; A123-T261 VanDerWaalsContact CB-CG2 3.47Å; A123-A277 VanDerWaalsContact CB-O 3.3Å; A123-A277 WeakPolarHBondContact CB-O 3.46Å; A123-F278 HydrophobicContact CB-CB 4.08Å
124	L	98.9	Very high	98.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61.5	-41.2	175.9	-70.6	160.3	0	0	0	111.4	G120 T121 G127 G128 W147 I153 F154 L193 F226 D228 T261	G120-L124 WeakPolarHBondContact O-CB 3.26Å; G120-L124 WeakPolarHBondContact O-CD1 3.4Å; G120-L124 VanDerWaalsContact O-CG 3.25Å; G120-L124 WeakPolarHBondContact O-CG 3.39Å; G120-L124 PolarHBondContact O-N 3.05Å; T121-L124 PolarHBondContact O-N 3.31Å; L124-G127 PolarHBondContact O-N 3.27Å; L124-G128 PolarHBondContact O-N 3.35Å; L124-W147 HydrophobicContact CD1-CE3 4.38Å; L124-W147 HydrophobicContact CD1-CZ3 3.98Å; L124-I153 HydrophobicContact CB-CD1 4.12Å; L124-I153 HydrophobicContact CB-CG2 3.93Å; L124-I153 HydrophobicContact CD1-CD1 3.97Å; L124-F154 HydrophobicContact CD2-CE2 4.27Å; L124-F154 HydrophobicContact CD2-CZ 3.69Å; L124-L193 HydrophobicContact CD2-CD1 4.13Å; L124-F226 HydrophobicContact CD2-CD1 4.49Å; L124-F226 HydrophobicContact CD2-CE1 3.68Å; L124-F226 HydrophobicContact CD2-CZ 4.16Å; L124-D228 HydrophobicContact CD2-CB 4.44Å; L124-T261 HydrophobicContact CD2-CG2 4.15Å; L124-T261 HydrophobicContact CG-CG2 4.14Å
125	R	98.8	Very high	98.7	Very high	85 Å²	85	25.4 Å²	25.4	32%	0.321	13%	0.131	S	C	.	.	H	α-helix	trans	-67.1	-40	179.5	-176.1	63.9	-176.1	87.5	-2.6	112.8	T121 G122 A123 A129 I153 H156 S157 M302	T121-R125 WeakPolarHBondContact O-CB 3.47Å; T121-R125 PolarHBondContact O-N 3.29Å; G122-R125 PolarHBondContact O-N 3.29Å; A123-R125 VanDerWaalsContact C-N 3.33Å; A123-R125 PolarHBondContact O-N 2.79Å; R125-A129 WeakPolarHBondContact O-CB 3.14Å; R125-A129 PolarHBondContact O-N 3.02Å; R125-I153 HydrophobicContact CB-CG2 4.2Å; R125-H156 PolarHBondContact NH2-O 3.24Å; R125-S157 WeakPolarHBondContact CD-OG 3.47Å; R125-S157 PolarHBondContact NH1-OG 2.72Å; R125-S157 VanDerWaalsContact NH1-OG 3.09Å; R125-M302 HydrophobicContact CG-SD 4.43Å
126	V	98.9	Very high	98.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-64.7	-48.4	174.4	170.2	0	0	0	0	110.1	T117 G122 A123 G128 A129 F130 F278 I295 I299 M302 Y303	T117-V126 HydrophobicContact CG2-CG2 4.29Å; G122-V126 VanDerWaalsContact O-CG2 3.31Å; G122-V126 WeakPolarHBondContact O-CG2 3.32Å; G122-V126 PolarHBondContact O-N 3.49Å; A123-V126 PolarHBondContact O-N 3.32Å; V126-G128 PolarHBondContact O-N 3.47Å; V126-A129 PolarHBondContact O-N 3.34Å; V126-F130 PolarHBondContact O-N 3.33Å; V126-F278 HydrophobicContact CB-CD1 4.46Å; V126-F278 HydrophobicContact CG1-CD1 3.63Å; V126-F278 HydrophobicContact CG1-CE1 4.11Å; V126-F278 HydrophobicContact CG1-CG 4.19Å; V126-I295 HydrophobicContact CG1-CG2 3.87Å; V126-I299 HydrophobicContact CG1-CD1 4.4Å; V126-I299 HydrophobicContact CG1-CG1 4.22Å; V126-I299 HydrophobicContact CG2-CD1 4.47Å; V126-I299 HydrophobicContact CG2-CG1 3.88Å; V126-M302 HydrophobicContact CG2-SD 3.93Å; V126-Y303 HydrophobicContact CG2-CE1 4.14Å
127	G	98.9	Very high	98.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.8	-43.9	176.6	0	0	0	0	0	112.7	A123 L124 A129 F130 I131	A123-G127 PolarHBondContact O-N 3.22Å; L124-G127 PolarHBondContact O-N 3.27Å; G127-A129 PolarHBondContact O-N 3.4Å; G127-F130 PolarHBondContact O-N 3.36Å; G127-I131 WeakPolarHBondContact O-CG1 3.32Å; G127-I131 PolarHBondContact O-N 3.04Å
128	G	98.9	Very high	98.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.9	-40.7	175.8	0	0	0	0	0	113.4	L124 V126 N132	L124-G128 PolarHBondContact O-N 3.35Å; V126-G128 PolarHBondContact O-N 3.47Å; G128-N132 PolarHBondContact O-N 2.84Å
129	A	98.8	Very high	98.6	Very high	13 Å²	13	40.7 Å²	40.7	11%	0.107	20%	0.199	C	C	.	.	H	α-helix	trans	-65.6	-42	175.4	0	0	0	0	0	112.2	R125 V126 G127 I131 N132 E133 I298 M302	R125-A129 WeakPolarHBondContact O-CB 3.14Å; R125-A129 PolarHBondContact O-N 3.02Å; V126-A129 PolarHBondContact O-N 3.34Å; G127-A129 PolarHBondContact O-N 3.4Å; A129-I131 VanDerWaalsContact C-N 3.34Å; A129-I131 PolarHBondContact O-N 2.83Å; A129-N132 PolarHBondContact O-N 3.2Å; A129-E133 WeakPolarHBondContact O-CB 3.49Å; A129-E133 PolarHBondContact O-N 3.01Å; A129-I298 HydrophobicContact CB-CD1 4.47Å; A129-I298 HydrophobicContact CB-CG2 3.69Å; A129-M302 HydrophobicContact CB-CE 3.35Å
130	F	98.9	Very high	98.6	Very high	25 Å²	25	40.5 Å²	40.5	11%	0.11	20%	0.198	C	C	.	.	H	α-helix	trans	-61.1	-44.1	178.1	-176.6	-89	0	0	0	111.4	V126 G127 E133 F134 L280 C291 Q294 I295 I298	V126-F130 PolarHBondContact O-N 3.33Å; G127-F130 PolarHBondContact O-N 3.36Å; F130-E133 PolarHBondContact O-N 3.37Å; F130-F134 AromaticContact CD2-CD2 3.65Å; F130-F134 HydrophobicContact CD2-CD2 3.65Å; F130-F134 AromaticContact CD2-CE2 4Å; F130-F134 HydrophobicContact CD2-CE2 4Å; F130-F134 AromaticContact CE2-CD2 3.59Å; F130-F134 HydrophobicContact CE2-CD2 3.59Å; F130-F134 HydrophobicContact CE2-CE2 4.02Å; F130-F134 HydrophobicContact CE2-CG 4.46Å; F130-F134 HydrophobicContact CG-CD2 4.16Å; F130-F134 HydrophobicContact CZ-CD2 4.05Å; F130-F134 WeakPolarHBondContact O-CD2 3.3Å; F130-F134 PolarHBondContact O-N 3.39Å; F130-L280 HydrophobicContact CD1-CD2 4.33Å; F130-L280 HydrophobicContact CE1-CD2 3.56Å; F130-L280 HydrophobicContact CE2-CD2 4.37Å; F130-L280 HydrophobicContact CZ-CD2 3.59Å; F130-C291 HydrophobicContact CE2-CB 4.26Å; F130-C291 HydrophobicContact CZ-CB 4.09Å; F130-Q294 HydrophobicContact CE2-CB 4.3Å; F130-I295 HydrophobicContact CD2-CD1 4.38Å; F130-I295 HydrophobicContact CD2-CG1 3.59Å; F130-I295 HydrophobicContact CE2-CD1 4.44Å; F130-I295 HydrophobicContact CE2-CG1 3.93Å; F130-I295 HydrophobicContact CG-CG1 4.41Å; F130-I298 HydrophobicContact CB-CD1 3.99Å; F130-I298 HydrophobicContact CD2-CD1 4.09Å
131	I	98.9	Very high	98.6	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-59.3	-49.7	174.1	-66.2	167.6	0	0	0	110.5	G127 A129 E133 F134 A135 L159 F191 F226 L259	G127-I131 WeakPolarHBondContact O-CG1 3.32Å; G127-I131 PolarHBondContact O-N 3.04Å; A129-I131 VanDerWaalsContact C-N 3.34Å; A129-I131 PolarHBondContact O-N 2.83Å; I131-E133 PolarHBondContact O-N 3.15Å; I131-F134 PolarHBondContact O-N 3.26Å; I131-A135 HydrophobicContact CB-CB 4.45Å; I131-A135 HydrophobicContact CG2-CB 3.8Å; I131-A135 WeakPolarHBondContact O-CB 3.3Å; I131-A135 PolarHBondContact O-N 3.4Å; I131-L159 HydrophobicContact CB-CD1 4.17Å; I131-L159 HydrophobicContact CB-CD2 4.03Å; I131-L159 HydrophobicContact CD1-CD1 4.1Å; I131-L159 HydrophobicContact CG2-CD1 4.03Å; I131-L159 HydrophobicContact CG2-CD2 3.52Å; I131-L159 HydrophobicContact CG2-CG 4.46Å; I131-F191 HydrophobicContact CB-CE2 4.37Å; I131-F191 HydrophobicContact CB-CZ 4.39Å; I131-F191 HydrophobicContact CD1-CB 4.44Å; I131-F191 HydrophobicContact CD1-CD1 3.61Å; I131-F191 HydrophobicContact CD1-CD2 4.06Å; I131-F191 HydrophobicContact CD1-CE1 3.8Å; I131-F191 HydrophobicContact CD1-CE2 4.25Å; I131-F191 HydrophobicContact CD1-CG 3.75Å; I131-F191 HydrophobicContact CD1-CZ 4.12Å; I131-F191 HydrophobicContact CG1-CD1 4.11Å; I131-F191 HydrophobicContact CG1-CD2 4.37Å; I131-F191 HydrophobicContact CG1-CE1 3.74Å; I131-F191 HydrophobicContact CG1-CE2 4.06Å; I131-F191 HydrophobicContact CG1-CG 4.41Å; I131-F191 HydrophobicContact CG1-CZ 3.72Å; I131-F191 HydrophobicContact CG2-CD2 3.79Å; I131-F191 HydrophobicContact CG2-CE2 3.43Å; I131-F191 VanDerWaalsContact CG2-CE2 3.43Å; I131-F191 HydrophobicContact CG2-CZ 3.91Å; I131-F226 HydrophobicContact CD1-CD2 3.92Å; I131-F226 HydrophobicContact CD1-CE2 3.96Å; I131-L259 HydrophobicContact CD1-CD2 3.94Å; I131-L259 HydrophobicContact CG1-CD2 4.04Å
132	N	98.7	Very high	98.6	Very high	45 Å²	45	40.3 Å²	40.3	24%	0.241	19%	0.19	C	C	.	.	H	α-helix	trans	-61.8	-32.9	-176.5	178.9	65.5	0	0	0	113.2	G128 A129 K138 S157 G158 L159	G128-N132 PolarHBondContact O-N 2.84Å; A129-N132 PolarHBondContact O-N 3.2Å; N132-K138 WeakPolarHBondContact O-CE 3.45Å; N132-K138 PolarHBondContact O-NZ 2.96Å; N132-S157 WeakPolarHBondContact CB-O 3.41Å; N132-S157 PolarHBondContact ND2-O 2.84Å; N132-G158 PolarHBondContact OD1-O 2.98Å; N132-L159 HydrophobicContact CB-CD2 3.89Å
133	E	98.4	Very high	98.6	Very high	126 Å²	126	39.9 Å²	39.9	59%	0.589	19%	0.186	S	C	*	.	H	α-helix	trans	-79.3	-45.7	-179.6	-167.6	65.5	-162.6	0	0	112.3	A129 F130 I131	A129-E133 WeakPolarHBondContact O-CB 3.49Å; A129-E133 PolarHBondContact O-N 3.01Å; F130-E133 PolarHBondContact O-N 3.37Å; I131-E133 PolarHBondContact O-N 3.15Å
134	F	98.4	Very high	98.6	Very high	89 Å²	89	42.4 Å²	42.4	39%	0.39	20%	0.201	S	C	.	.	H	α-helix	trans	-116.2	-20.4	-165.1	-60.1	-67.8	0	0	0	115.7	F130 I131 Q294 I298	F130-F134 AromaticContact CD2-CD2 3.65Å; F130-F134 HydrophobicContact CD2-CD2 3.65Å; F130-F134 AromaticContact CD2-CE2 4Å; F130-F134 HydrophobicContact CD2-CE2 4Å; F130-F134 AromaticContact CE2-CD2 3.59Å; F130-F134 HydrophobicContact CE2-CD2 3.59Å; F130-F134 HydrophobicContact CE2-CE2 4.02Å; F130-F134 HydrophobicContact CE2-CG 4.46Å; F130-F134 HydrophobicContact CG-CD2 4.16Å; F130-F134 HydrophobicContact CZ-CD2 4.05Å; F130-F134 WeakPolarHBondContact O-CD2 3.3Å; F130-F134 PolarHBondContact O-N 3.39Å; I131-F134 PolarHBondContact O-N 3.26Å; F134-Q294 HydrophobicContact CE1-CG 4.12Å; F134-Q294 HydrophobicContact CE2-CB 3.61Å; F134-Q294 HydrophobicContact CE2-CG 4.09Å; F134-Q294 HydrophobicContact CZ-CB 3.63Å; F134-Q294 HydrophobicContact CZ-CG 3.63Å; F134-Q294 VanDerWaalsContact CZ-OE1 3.27Å; F134-I298 HydrophobicContact CE2-CD1 3.98Å
135	A	98.1	Very high	98.4	Very high	24 Å²	24	43.9 Å²	43.9	20%	0.198	21%	0.211	C	C	.	.			trans	-79.7	139.4	-179.2	0	0	0	0	0	111	I131 Q137 F191	I131-A135 HydrophobicContact CB-CB 4.45Å; I131-A135 HydrophobicContact CG2-CB 3.8Å; I131-A135 WeakPolarHBondContact O-CB 3.3Å; I131-A135 PolarHBondContact O-N 3.4Å; A135-Q137 VanDerWaalsContact C-N 3.29Å; A135-Q137 PolarHBondContact O-N 3.4Å; A135-F191 HydrophobicContact CB-CE2 3.75Å; A135-F191 HydrophobicContact CB-CZ 3.79Å
136	E	97.4	Very high	98.3	Very high	182 Å²	182	40.9 Å²	40.9	85%	0.85	20%	0.202	S	C	*	.	S	Bend	trans	-60.9	-41.8	171	-64.3	-177.9	177.6	0	0	111.1
137	Q	98	Very high	98.1	Very high	69 Å²	69	44 Å²	44	32%	0.322	21%	0.214	S	C	.	.			trans	-99	119.2	179.7	-57	-54.2	-38.1	0	0	110.9	A135 H139 G189 F191	A135-Q137 VanDerWaalsContact C-N 3.29Å; A135-Q137 PolarHBondContact O-N 3.4Å; Q137-H139 VanDerWaalsContact C-N 3.33Å; Q137-H139 PolarHBondContact O-N 2.9Å; Q137-G189 WeakPolarHBondContact CB-O 3.21Å; Q137-F191 WeakPolarHBondContact O-CE2 3.43Å
138	K	98.6	Very high	97.8	Very high	84 Å²	84	47.1 Å²	47.1	37%	0.365	25%	0.245	S	C	.	.			trans	-99.4	39.4	-178.8	-55.7	-172.7	-174.4	-161.1	0	112.4	N132 L159 N160	N132-K138 WeakPolarHBondContact O-CE 3.45Å; N132-K138 PolarHBondContact O-NZ 2.96Å; K138-L159 HydrophobicContact CB-CD2 4.16Å; K138-L159 WeakPolarHBondContact O-CA 3.3Å; K138-N160 PolarHBondContact O-N 3.01Å
139	H	98.8	Very high	97.5	Very high	45 Å²	45	49.7 Å²	49.7	21%	0.208	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	130.7	-172.7	-67.5	-79.1	0	0	0	111.3	Q137 N160 H162 H190 F191	Q137-H139 VanDerWaalsContact C-N 3.33Å; Q137-H139 PolarHBondContact O-N 2.9Å; H139-N160 WeakPolarHBondContact CA-O 3.34Å; H139-N160 PolarHBondContact CE1-ND2 3.29Å; H139-N160 VanDerWaalsContact CE1-ND2 3.27Å; H139-N160 WeakPolarHBondContact ND1-CB 3.31Å; H139-H162 AromaticContact CE1-NE2 3.76Å; H139-H162 AromaticContact CG-NE2 3.71Å; H139-H162 AromaticContact ND1-CD2 3.72Å; H139-H162 AromaticContact ND1-CE1 3.9Å; H139-H162 AromaticContact ND1-NE2 2.89Å; H139-H162 PolarHBondContact ND1-NE2 3.12Å; H139-H190 HydrophobicContact CB-CB 4.41Å; H139-H190 WeakPolarHBondContact CB-CE1 3.31Å; H139-H190 WeakPolarHBondContact CB-ND1 3.5Å; H139-H190 AromaticContact CD2-CE1 3.47Å; H139-H190 PolarHBondContact CD2-CE1 3.45Å; H139-H190 VanDerWaalsContact CD2-CE1 3.47Å; H139-H190 AromaticContact CD2-NE2 3.61Å; H139-H190 AromaticContact CG-CE1 3.32Å; H139-H190 AromaticContact CG-ND1 3.69Å; H139-H190 AromaticContact CG-NE2 3.89Å; H139-F191 PolarHBondContact O-N 3.02Å
140	I	98.9	Very high	97.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	131.6	175.8	-169.6	166.5	0	0	0	111.1	M142 F154 L159 N160 V161 H162 F191 L193 F226	I140-M142 HydrophobicContact CG2-CE 4.36Å; I140-F154 HydrophobicContact CD1-CD1 3.89Å; I140-F154 HydrophobicContact CD1-CD2 3.99Å; I140-F154 HydrophobicContact CD1-CE1 3.62Å; I140-F154 HydrophobicContact CD1-CE2 3.74Å; I140-F154 HydrophobicContact CD1-CG 4.07Å; I140-F154 HydrophobicContact CD1-CZ 3.53Å; I140-F154 HydrophobicContact CG2-CB 3.9Å; I140-F154 HydrophobicContact CG2-CD1 4.45Å; I140-F154 HydrophobicContact CG2-CD2 4.32Å; I140-F154 HydrophobicContact CG2-CG 3.98Å; I140-L159 HydrophobicContact CB-CD1 4.29Å; I140-L159 HydrophobicContact CG2-CB 4.13Å; I140-L159 HydrophobicContact CG2-CD1 4.04Å; I140-N160 PolarHBondContact N-O 3Å; I140-V161 HydrophobicContact CG2-CG2 4.05Å; I140-H162 PolarHBondContact O-N 3.33Å; I140-F191 CarbonylContact C-O 3.31Å; I140-F191 WeakPolarHBondContact CA-O 3.43Å; I140-F191 HydrophobicContact CB-CB 4.23Å; I140-F191 HydrophobicContact CD1-CB 4.42Å; I140-F191 HydrophobicContact CG1-CB 4.01Å; I140-L193 HydrophobicContact CD1-CB 4.28Å; I140-L193 HydrophobicContact CG1-CB 4.42Å; I140-F226 HydrophobicContact CD1-CD2 4.23Å
141	W	98.9	Very high	97.5	Very high	46 Å²	46	53.8 Å²	53.8	17%	0.174	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	130.1	176.9	-66.2	80.6	0	0	0	109.8	H162 Q163 Y164 I186 H190 F191 L193	W141-H162 WeakPolarHBondContact CA-O 3.37Å; W141-H162 HydrophobicContact CD2-CB 3.33Å; W141-H162 AromaticContact CE2-CD2 3.76Å; W141-H162 AromaticContact CE2-CG 3.8Å; W141-H162 HydrophobicContact CE3-CB 3.45Å; W141-H162 VanDerWaalsContact CE3-CB 3.45Å; W141-H162 HydrophobicContact CG-CB 3.85Å; W141-H162 HydrophobicContact CH2-CB 4.04Å; W141-H162 HydrophobicContact CZ2-CB 3.96Å; W141-H162 AromaticContact CZ2-CG 3.92Å; W141-H162 HydrophobicContact CZ3-CB 3.81Å; W141-H162 AromaticContact NE1-CD2 3.76Å; W141-Q163 VanDerWaalsContact CZ3-O 3.29Å; W141-Q163 WeakPolarHBondContact CZ3-O 3.31Å; W141-Y164 HydrophobicContact CB-CD1 4.08Å; W141-I186 HydrophobicContact CB-CD1 3.87Å; W141-I186 HydrophobicContact CD2-CD1 3.69Å; W141-I186 HydrophobicContact CD2-CG1 3.76Å; W141-I186 HydrophobicContact CD2-CG2 4.49Å; W141-I186 HydrophobicContact CE3-CD1 4.13Å; W141-I186 HydrophobicContact CE3-CG1 4.13Å; W141-I186 HydrophobicContact CG-CD1 3.55Å; W141-I186 HydrophobicContact CG-CG1 4.08Å; W141-I186 HydrophobicContact CG-CG2 4.36Å; W141-I186 HydrophobicContact CZ2-CG1 4.18Å; W141-I186 VanDerWaalsContact NE1-CG2 3.35Å; W141-H190 AromaticContact CD1-ND1 3.87Å; W141-H190 AromaticContact NE1-CG 3.84Å; W141-H190 AromaticContact NE1-ND1 3.09Å; W141-H190 PolarHBondContact NE1-ND1 3.14Å; W141-F191 PolarHBondContact N-O 3.25Å; W141-L193 PolarHBondContact O-N 3.23Å
142	M	98.8	Very high	97.4	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.01	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	151.9	179.6	63.5	-170.5	62.1	0	0	111.7	I140 T146 H150 K151 F154 V161 H162 Q163 Y164 L193	I140-M142 HydrophobicContact CG2-CE 4.36Å; M142-T146 HydrophobicContact CB-CG2 4.3Å; M142-T146 HydrophobicContact CG-CG2 4.12Å; M142-T146 HydrophobicContact SD-CG2 3.91Å; M142-H150 HydrophobicContact CE-CB 4.32Å; M142-H150 HydrophobicContact SD-CB 4.03Å; M142-K151 HydrophobicContact SD-CB 4.08Å; M142-F154 HydrophobicContact CE-CD2 3.72Å; M142-F154 HydrophobicContact CE-CE2 4.47Å; M142-V161 HydrophobicContact CE-CB 4.18Å; M142-V161 HydrophobicContact CE-CG1 3.29Å; M142-V161 HydrophobicContact CE-CG2 3.9Å; M142-V161 HydrophobicContact CG-CG1 4.39Å; M142-V161 HydrophobicContact SD-CG1 3.7Å; M142-H162 WeakPolarHBondContact CG-O 3.19Å; M142-H162 PolarHBondContact N-O 2.9Å; M142-Q163 HydrophobicContact CG-CG 4.42Å; M142-Q163 VanDerWaalsContact O-CA 3.31Å; M142-Q163 WeakPolarHBondContact O-CA 3.25Å; M142-Y164 VanDerWaalsContact O-CD1 3.3Å; M142-Y164 WeakPolarHBondContact O-CD1 3.44Å; M142-Y164 PolarHBondContact O-N 3.21Å; M142-L193 HydrophobicContact CB-CB 4.12Å; M142-L193 HydrophobicContact CB-CD2 3.84Å
143	P	98.5	Very high	97.4	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	153.4	-178.8	22.8	-29.3	0	0	0	110.9	P145 T146 Y164 Y166 L193 H199	P143-P145 CarbonylContact C-O 3.35Å; P143-P145 CarbonylContact O-C 3.58Å; P143-T146 VanDerWaalsContact O-CB 3.32Å; P143-T146 WeakPolarHBondContact O-CB 3.45Å; P143-T146 PolarHBondContact O-N 2.84Å; P143-Y164 CarbonylContact C-O 3.57Å; P143-Y164 HydrophobicContact CB-CE1 4.2Å; P143-Y164 HydrophobicContact CB-CE2 3.94Å; P143-Y164 WeakPolarHBondContact CD-OH 3.33Å; P143-Y164 HydrophobicContact CG-CE1 4.49Å; P143-Y166 HydrophobicContact CB-CD1 4.35Å; P143-Y166 HydrophobicContact CB-CD2 3.65Å; P143-Y166 HydrophobicContact CB-CE2 4.41Å; P143-Y166 HydrophobicContact CB-CG 3.59Å; P143-L193 WeakPolarHBondContact CD-O 3.48Å; P143-H199 VanDerWaalsContact CG-NE2 3.3Å; P143-H199 WeakPolarHBondContact CG-NE2 3.14Å
144	T	97.8	Very high	97.4	Very high	54 Å²	54	48.6 Å²	48.6	33%	0.331	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	117.6	171.6	-56.2	0	0	0	0	110.4	Q163 Y164 Y167	T144-Q163 VanDerWaalsContact OG1-CB 3.31Å; T144-Q163 WeakPolarHBondContact OG1-CB 3.25Å; T144-Q163 WeakPolarHBondContact OG1-CG 3.24Å; T144-Q163 PolarHBondContact OG1-NE2 3.29Å; T144-Y164 PolarHBondContact N-O 2.81Å; T144-Y167 PolarHBondContact O-N 3.02Å
145	P	95.8	Very high	97.4	Very high	30 Å²	30	47.7 Å²	47.7	20%	0.195	26%	0.255	C	S	.	.	S	Bend	cis	-74.5	175.8	-7.4	36.5	-38.6	0	0	0	112.1	P143 H199 P201 T202 Y370	P143-P145 CarbonylContact C-O 3.35Å; P143-P145 CarbonylContact O-C 3.58Å; P145-H199 PolarHBondContact O-CE1 3.41Å; P145-P201 HydrophobicContact CB-CG 4.21Å; P145-P201 HydrophobicContact CG-CG 4.02Å; P145-T202 HydrophobicContact CG-CG2 3.63Å; P145-Y370 HydrophobicContact CG-CE2 3.67Å
146	T	96.5	Very high	97.4	Very high	22 Å²	22	53.4 Å²	53.4	14%	0.135	28%	0.278	C	S	.	.			trans	-146.9	178.2	168.9	-162.5	0	0	0	0	110.2	M142 P143 G148 H150 H195 N200	M142-T146 HydrophobicContact CB-CG2 4.3Å; M142-T146 HydrophobicContact CG-CG2 4.12Å; M142-T146 HydrophobicContact SD-CG2 3.91Å; P143-T146 VanDerWaalsContact O-CB 3.32Å; P143-T146 WeakPolarHBondContact O-CB 3.45Å; P143-T146 PolarHBondContact O-N 2.84Å; T146-G148 PolarHBondContact O-N 3.13Å; T146-H150 HydrophobicContact CG2-CB 3.88Å; T146-H150 PolarHBondContact OG1-ND1 3.19Å; T146-H195 PolarHBondContact OG1-NE2 2.93Å; T146-N200 CarbonylContact C-O 3.57Å; T146-N200 VanDerWaalsContact C-O 3.31Å
147	W	94.3	Very high	97.5	Very high	67 Å²	67	45 Å²	45	25%	0.254	24%	0.239	S	C	.	.			trans	-57.9	126.6	176.9	179	46.2	0	0	0	110.3	T121 L124 N149 H150 I153 N200	T121-W147 WeakPolarHBondContact OG1-CH2 3.34Å; L124-W147 HydrophobicContact CD1-CE3 4.38Å; L124-W147 HydrophobicContact CD1-CZ3 3.98Å; W147-N149 HydrophobicContact CD2-CB 3.87Å; W147-N149 HydrophobicContact CE3-CB 3.82Å; W147-N149 HydrophobicContact CH2-CB 3.46Å; W147-N149 VanDerWaalsContact CH2-CB 3.46Å; W147-N149 WeakPolarHBondContact CH2-ND2 3.38Å; W147-N149 HydrophobicContact CZ2-CB 3.49Å; W147-N149 VanDerWaalsContact CZ2-CB 3.49Å; W147-N149 HydrophobicContact CZ3-CB 3.63Å; W147-N149 PolarHBondContact O-N 2.99Å; W147-H150 AromaticContact CE3-CD2 3.9Å; W147-H150 AromaticContact CE3-NE2 3.71Å; W147-H150 WeakPolarHBondContact O-CB 3.34Å; W147-H150 PolarHBondContact O-N 2.89Å; W147-H150 PolarHBondContact O-ND1 3.25Å; W147-I153 HydrophobicContact CZ3-CD1 4.07Å; W147-N200 HydrophobicContact CB-CB 4.43Å; W147-N200 PolarHBondContact N-O 2.8Å
148	G	91.6	Very high	97.5	Very high	64 Å²	64	43.7 Å²	43.7	66%	0.66	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-19.5	-168.5	0	0	0	0	0	115.6	T146 P152	T146-G148 PolarHBondContact O-N 3.13Å; G148-P152 WeakPolarHBondContact O-CD 3.3Å
149	N	94.3	Very high	97.5	Very high	55 Å²	55	40 Å²	40	29%	0.294	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-13.3	178.2	-152.7	22	0	0	0	114	W147 P152 I153	W147-N149 HydrophobicContact CD2-CB 3.87Å; W147-N149 HydrophobicContact CE3-CB 3.82Å; W147-N149 HydrophobicContact CH2-CB 3.46Å; W147-N149 VanDerWaalsContact CH2-CB 3.46Å; W147-N149 WeakPolarHBondContact CH2-ND2 3.38Å; W147-N149 HydrophobicContact CZ2-CB 3.49Å; W147-N149 VanDerWaalsContact CZ2-CB 3.49Å; W147-N149 HydrophobicContact CZ3-CB 3.63Å; W147-N149 PolarHBondContact O-N 2.99Å; N149-P152 WeakPolarHBondContact O-CD 3.16Å; N149-I153 HydrophobicContact CB-CD1 4.14Å; N149-I153 WeakPolarHBondContact O-CB 3.33Å; N149-I153 VanDerWaalsContact O-CD1 3.31Å; N149-I153 WeakPolarHBondContact O-CD1 3.38Å; N149-I153 WeakPolarHBondContact O-CG1 3.3Å; N149-I153 PolarHBondContact O-N 2.81Å
150	H	98.2	Very high	97.5	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-58.3	-52.7	179.4	-72.3	146.7	0	0	0	112.4	M142 T146 W147 I153 F154 L193 H195 D228	M142-H150 HydrophobicContact CE-CB 4.32Å; M142-H150 HydrophobicContact SD-CB 4.03Å; T146-H150 HydrophobicContact CG2-CB 3.88Å; T146-H150 PolarHBondContact OG1-ND1 3.19Å; W147-H150 AromaticContact CE3-CD2 3.9Å; W147-H150 AromaticContact CE3-NE2 3.71Å; W147-H150 WeakPolarHBondContact O-CB 3.34Å; W147-H150 PolarHBondContact O-N 2.89Å; W147-H150 PolarHBondContact O-ND1 3.25Å; H150-I153 PolarHBondContact O-N 2.7Å; H150-F154 HydrophobicContact CB-CD2 4.38Å; H150-F154 HydrophobicContact CB-CE2 4.33Å; H150-F154 WeakPolarHBondContact O-CD2 3.44Å; H150-F154 PolarHBondContact O-N 3.35Å; H150-L193 HydrophobicContact CB-CD2 4.04Å; H150-L193 WeakPolarHBondContact ND1-CD2 3.36Å; H150-H195 AromaticContact CE1-CE1 3.56Å; H150-H195 AromaticContact CE1-NE2 3.26Å; H150-H195 PolarHBondContact CE1-NE2 3.26Å; H150-H195 VanDerWaalsContact CE1-NE2 3.26Å; H150-H195 AromaticContact ND1-NE2 3.72Å; H150-D228 IonicContact CE1-OD2 2.73Å; H150-D228 IonicContact NE2-OD2 2.76Å; H150-D228 PolarHBondContact NE2-OD2 3.36Å
151	K	98	Very high	97.5	Very high	124 Å²	124	43.7 Å²	43.7	54%	0.539	25%	0.251	S	S	.	.	H	α-helix	trans	-58.8	-53.5	-179.8	174.3	175.6	-176.6	176.8	0	111.8	M142 I153 F154 T155 V161	M142-K151 HydrophobicContact SD-CB 4.08Å; K151-I153 PolarHBondContact O-N 3.23Å; K151-F154 PolarHBondContact O-N 2.87Å; K151-T155 VanDerWaalsContact O-CB 3.31Å; K151-T155 WeakPolarHBondContact O-CB 3.49Å; K151-T155 PolarHBondContact O-N 2.77Å; K151-T155 PolarHBondContact O-OG1 3.24Å; K151-T155 VanDerWaalsContact O-OG1 3.04Å; K151-V161 HydrophobicContact CB-CG1 4.39Å; K151-V161 HydrophobicContact CG-CG1 4.13Å
152	P	97.3	Very high	97.5	Very high	52 Å²	52	44.3 Å²	44.3	34%	0.338	26%	0.256	S	S	.	.	H	α-helix	trans	-53.5	-47.6	173.8	-27.6	34	0	0	0	113.8	G148 N149 F154 H156	G148-P152 WeakPolarHBondContact O-CD 3.3Å; N149-P152 WeakPolarHBondContact O-CD 3.16Å; P152-F154 PolarHBondContact O-N 2.76Å; P152-H156 VanDerWaalsContact O-CB 3.27Å; P152-H156 WeakPolarHBondContact O-CB 3.32Å; P152-H156 PolarHBondContact O-CD2 2.91Å; P152-H156 PolarHBondContact O-N 3.49Å
153	I	98.6	Very high	97.5	Very high	11 Å²	11	49.5 Å²	49.5	6%	0.056	28%	0.28	C	S	.	.	H	α-helix	trans	-57.4	-50.8	-179.1	-70.4	163.5	0	0	0	111.2	T121 L124 R125 W147 N149 H150 K151 S157	T121-I153 HydrophobicContact CG2-CD1 4.01Å; T121-I153 HydrophobicContact CG2-CG1 4.47Å; L124-I153 HydrophobicContact CB-CD1 4.12Å; L124-I153 HydrophobicContact CB-CG2 3.93Å; L124-I153 HydrophobicContact CD1-CD1 3.97Å; R125-I153 HydrophobicContact CB-CG2 4.2Å; W147-I153 HydrophobicContact CZ3-CD1 4.07Å; N149-I153 HydrophobicContact CB-CD1 4.14Å; N149-I153 WeakPolarHBondContact O-CB 3.33Å; N149-I153 VanDerWaalsContact O-CD1 3.31Å; N149-I153 WeakPolarHBondContact O-CD1 3.38Å; N149-I153 WeakPolarHBondContact O-CG1 3.3Å; N149-I153 PolarHBondContact O-N 2.81Å; H150-I153 PolarHBondContact O-N 2.7Å; K151-I153 PolarHBondContact O-N 3.23Å; I153-S157 WeakPolarHBondContact O-CB 3.48Å; I153-S157 PolarHBondContact O-N 2.89Å; I153-S157 PolarHBondContact O-OG 2.8Å
154	F	98.8	Very high	97.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-74.8	-38.3	-174.9	-68.1	-58	0	0	0	112.4	L124 I140 M142 H150 K151 P152 S157 G158 L159 V161 L193 F226	L124-F154 HydrophobicContact CD2-CE2 4.27Å; L124-F154 HydrophobicContact CD2-CZ 3.69Å; I140-F154 HydrophobicContact CD1-CD1 3.89Å; I140-F154 HydrophobicContact CD1-CD2 3.99Å; I140-F154 HydrophobicContact CD1-CE1 3.62Å; I140-F154 HydrophobicContact CD1-CE2 3.74Å; I140-F154 HydrophobicContact CD1-CG 4.07Å; I140-F154 HydrophobicContact CD1-CZ 3.53Å; I140-F154 HydrophobicContact CG2-CB 3.9Å; I140-F154 HydrophobicContact CG2-CD1 4.45Å; I140-F154 HydrophobicContact CG2-CD2 4.32Å; I140-F154 HydrophobicContact CG2-CG 3.98Å; M142-F154 HydrophobicContact CE-CD2 3.72Å; M142-F154 HydrophobicContact CE-CE2 4.47Å; H150-F154 HydrophobicContact CB-CD2 4.38Å; H150-F154 HydrophobicContact CB-CE2 4.33Å; H150-F154 WeakPolarHBondContact O-CD2 3.44Å; H150-F154 PolarHBondContact O-N 3.35Å; K151-F154 PolarHBondContact O-N 2.87Å; P152-F154 PolarHBondContact O-N 2.76Å; F154-S157 WeakPolarHBondContact O-CB 3.33Å; F154-S157 PolarHBondContact O-N 2.86Å; F154-S157 VanDerWaalsContact O-N 3.08Å; F154-G158 PolarHBondContact O-N 2.83Å; F154-L159 HydrophobicContact CB-CB 4.39Å; F154-L159 HydrophobicContact CB-CD1 4.4Å; F154-L159 HydrophobicContact CD1-CD1 3.84Å; F154-L159 HydrophobicContact CG-CD1 4.48Å; F154-L159 WeakPolarHBondContact O-CB 3.38Å; F154-L159 PolarHBondContact O-N 3.48Å; F154-V161 HydrophobicContact CB-CG2 3.69Å; F154-L193 HydrophobicContact CE2-CD1 4.07Å; F154-L193 HydrophobicContact CE2-CD2 3.94Å; F154-L193 HydrophobicContact CZ-CD1 4.04Å; F154-F226 AromaticContact CE1-CE2 3.97Å; F154-F226 HydrophobicContact CE1-CE2 3.97Å; F154-F226 HydrophobicContact CE1-CZ 4.14Å; F154-F226 HydrophobicContact CZ-CE1 4.44Å; F154-F226 HydrophobicContact CZ-CE2 4.26Å; F154-F226 HydrophobicContact CZ-CZ 4.18Å
155	T	98.5	Very high	97.5	Very high	70 Å²	70	52.2 Å²	52.2	43%	0.429	28%	0.284	S	S	.	.	H	α-helix	trans	-60.7	-46.2	172.1	-62.4	0	0	0	0	111.3	K151 S157 G158	K151-T155 VanDerWaalsContact O-CB 3.31Å; K151-T155 WeakPolarHBondContact O-CB 3.49Å; K151-T155 PolarHBondContact O-N 2.77Å; K151-T155 PolarHBondContact O-OG1 3.24Å; K151-T155 VanDerWaalsContact O-OG1 3.04Å; T155-S157 PolarHBondContact O-N 3.07Å; T155-G158 PolarHBondContact O-N 2.77Å
156	H	98	Very high	97.7	Very high	144 Å²	144	51.1 Å²	51.1	67%	0.667	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-6	175.9	-73.4	-67.9	0	0	0	114	R125 P152	R125-H156 PolarHBondContact NH2-O 3.24Å; P152-H156 VanDerWaalsContact O-CB 3.27Å; P152-H156 WeakPolarHBondContact O-CB 3.32Å; P152-H156 PolarHBondContact O-CD2 2.91Å; P152-H156 PolarHBondContact O-N 3.49Å
157	S	98.3	Very high	97.7	Very high	5 Å²	5	52 Å²	52	4%	0.035	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-6.1	167	-57.7	0	0	0	0	112.9	R125 N132 I153 F154 T155	R125-S157 WeakPolarHBondContact CD-OG 3.47Å; R125-S157 PolarHBondContact NH1-OG 2.72Å; R125-S157 VanDerWaalsContact NH1-OG 3.09Å; N132-S157 WeakPolarHBondContact CB-O 3.41Å; N132-S157 PolarHBondContact ND2-O 2.84Å; I153-S157 WeakPolarHBondContact O-CB 3.48Å; I153-S157 PolarHBondContact O-N 2.89Å; I153-S157 PolarHBondContact O-OG 2.8Å; F154-S157 WeakPolarHBondContact O-CB 3.33Å; F154-S157 PolarHBondContact O-N 2.86Å; F154-S157 VanDerWaalsContact O-N 3.08Å; T155-S157 PolarHBondContact O-N 3.07Å
158	G	98.4	Very high	97.7	Very high	42 Å²	42	51 Å²	51	43%	0.433	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.2	9.5	-177.3	0	0	0	0	0	114.5	N132 F154 T155	N132-G158 PolarHBondContact OD1-O 2.98Å; F154-G158 PolarHBondContact O-N 2.83Å; T155-G158 PolarHBondContact O-N 2.77Å
159	L	98.8	Very high	97.7	Very high	7 Å²	7	52.1 Å²	52.1	4%	0.037	27%	0.274	C	S	.	.			trans	-89.1	143.1	-179.3	-54	-172.1	0	0	0	112.3	I131 N132 K138 I140 F154 V161	I131-L159 HydrophobicContact CB-CD1 4.17Å; I131-L159 HydrophobicContact CB-CD2 4.03Å; I131-L159 HydrophobicContact CD1-CD1 4.1Å; I131-L159 HydrophobicContact CG2-CD1 4.03Å; I131-L159 HydrophobicContact CG2-CD2 3.52Å; I131-L159 HydrophobicContact CG2-CG 4.46Å; N132-L159 HydrophobicContact CB-CD2 3.89Å; K138-L159 HydrophobicContact CB-CD2 4.16Å; K138-L159 WeakPolarHBondContact O-CA 3.3Å; I140-L159 HydrophobicContact CB-CD1 4.29Å; I140-L159 HydrophobicContact CG2-CB 4.13Å; I140-L159 HydrophobicContact CG2-CD1 4.04Å; F154-L159 HydrophobicContact CB-CB 4.39Å; F154-L159 HydrophobicContact CB-CD1 4.4Å; F154-L159 HydrophobicContact CD1-CD1 3.84Å; F154-L159 HydrophobicContact CG-CD1 4.48Å; F154-L159 WeakPolarHBondContact O-CB 3.38Å; F154-L159 PolarHBondContact O-N 3.48Å; L159-V161 PolarHBondContact O-N 2.9Å
160	N	98.8	Very high	97.6	Very high	86 Å²	86	56.5 Å²	56.5	46%	0.46	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	109.9	167.3	-67.5	-53.9	0	0	0	109.1	K138 H139 I140	K138-N160 PolarHBondContact O-N 3.01Å; H139-N160 WeakPolarHBondContact CA-O 3.34Å; H139-N160 PolarHBondContact CE1-ND2 3.29Å; H139-N160 VanDerWaalsContact CE1-ND2 3.27Å; H139-N160 WeakPolarHBondContact ND1-CB 3.31Å; I140-N160 PolarHBondContact N-O 3Å
161	V	98.8	Very high	97.3	Very high	37 Å²	37	60.9 Å²	60.9	22%	0.224	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	124.4	-176.9	168	0	0	0	0	110.7	I140 M142 K151 F154 L159	I140-V161 HydrophobicContact CG2-CG2 4.05Å; M142-V161 HydrophobicContact CE-CB 4.18Å; M142-V161 HydrophobicContact CE-CG1 3.29Å; M142-V161 HydrophobicContact CE-CG2 3.9Å; M142-V161 HydrophobicContact CG-CG1 4.39Å; M142-V161 HydrophobicContact SD-CG1 3.7Å; K151-V161 HydrophobicContact CB-CG1 4.39Å; K151-V161 HydrophobicContact CG-CG1 4.13Å; F154-V161 HydrophobicContact CB-CG2 3.69Å; L159-V161 PolarHBondContact O-N 2.9Å
162	H	98.8	Very high	97	Very high	59 Å²	59	55.6 Å²	55.6	27%	0.273	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	166.6	175.4	-58.6	-71.6	0	0	0	111.2	H139 I140 W141 M142	H139-H162 AromaticContact CE1-NE2 3.76Å; H139-H162 AromaticContact CG-NE2 3.71Å; H139-H162 AromaticContact ND1-CD2 3.72Å; H139-H162 AromaticContact ND1-CE1 3.9Å; H139-H162 AromaticContact ND1-NE2 2.89Å; H139-H162 PolarHBondContact ND1-NE2 3.12Å; I140-H162 PolarHBondContact O-N 3.33Å; W141-H162 WeakPolarHBondContact CA-O 3.37Å; W141-H162 HydrophobicContact CD2-CB 3.33Å; W141-H162 AromaticContact CE2-CD2 3.76Å; W141-H162 AromaticContact CE2-CG 3.8Å; W141-H162 HydrophobicContact CE3-CB 3.45Å; W141-H162 VanDerWaalsContact CE3-CB 3.45Å; W141-H162 HydrophobicContact CG-CB 3.85Å; W141-H162 HydrophobicContact CH2-CB 4.04Å; W141-H162 HydrophobicContact CZ2-CB 3.96Å; W141-H162 AromaticContact CZ2-CG 3.92Å; W141-H162 HydrophobicContact CZ3-CB 3.81Å; W141-H162 AromaticContact NE1-CD2 3.76Å; M142-H162 WeakPolarHBondContact CG-O 3.19Å; M142-H162 PolarHBondContact N-O 2.9Å
163	Q	98.5	Very high	96.9	Very high	110 Å²	110	54 Å²	54	51%	0.514	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	142.9	-175.9	-80.3	-178.5	-40	0	0	111.2	W141 M142 T144	W141-Q163 VanDerWaalsContact CZ3-O 3.29Å; W141-Q163 WeakPolarHBondContact CZ3-O 3.31Å; M142-Q163 HydrophobicContact CG-CG 4.42Å; M142-Q163 VanDerWaalsContact O-CA 3.31Å; M142-Q163 WeakPolarHBondContact O-CA 3.25Å; T144-Q163 VanDerWaalsContact OG1-CB 3.31Å; T144-Q163 WeakPolarHBondContact OG1-CB 3.25Å; T144-Q163 WeakPolarHBondContact OG1-CG 3.24Å; T144-Q163 PolarHBondContact OG1-NE2 3.29Å
164	Y	98.8	Very high	96.9	Very high	5 Å²	5	54.7 Å²	54.7	2%	0.02	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	151.4	168.5	67.4	-89.6	0	0	0	110.5	W141 M142 P143 T144 Y166 L183 V192 L193	W141-Y164 HydrophobicContact CB-CD1 4.08Å; M142-Y164 VanDerWaalsContact O-CD1 3.3Å; M142-Y164 WeakPolarHBondContact O-CD1 3.44Å; M142-Y164 PolarHBondContact O-N 3.21Å; P143-Y164 CarbonylContact C-O 3.57Å; P143-Y164 HydrophobicContact CB-CE1 4.2Å; P143-Y164 HydrophobicContact CB-CE2 3.94Å; P143-Y164 WeakPolarHBondContact CD-OH 3.33Å; P143-Y164 HydrophobicContact CG-CE1 4.49Å; T144-Y164 PolarHBondContact N-O 2.81Å; Y164-Y166 HydrophobicContact CE2-CD2 4.01Å; Y164-L183 HydrophobicContact CD1-CD2 4.37Å; Y164-L183 HydrophobicContact CD2-CD2 4.24Å; Y164-L183 HydrophobicContact CD2-CG 4.48Å; Y164-L183 HydrophobicContact CE2-CD2 4.44Å; Y164-L183 HydrophobicContact CG-CD2 4.22Å; Y164-V192 HydrophobicContact CE1-CG1 4.04Å; Y164-L193 PolarHBondContact OH-O 3.17Å; Y164-L193 VanDerWaalsContact OH-O 3.07Å
165	R	98.7	Very high	96.8	Very high	106 Å²	106	56.4 Å²	56.4	40%	0.4	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	139.9	178.7	-74.1	172.5	-73	163.4	-1.2	111.3	G178 C179 D182	R165-G178 VanDerWaalsContact CZ-CA 3.45Å; R165-G178 PolarHBondContact NH2-O 2.89Å; R165-C179 WeakPolarHBondContact O-CA 3.35Å; R165-C179 VanDerWaalsContact O-CB 3.32Å; R165-C179 WeakPolarHBondContact O-CB 3.41Å; R165-D182 WeakPolarHBondContact CB-OD2 3.14Å; R165-D182 WeakPolarHBondContact CG-OD2 3.36Å; R165-D182 IonicContact CZ-OD1 2.65Å; R165-D182 IonicContact CZ-OD2 3.18Å; R165-D182 PolarHBondContact N-OD2 3.49Å; R165-D182 IonicContact NE-OD1 3.88Å; R165-D182 PolarHBondContact NE-OD1 3.27Å; R165-D182 IonicContact NE-OD2 2.86Å; R165-D182 PolarHBondContact NE-OD2 2.87Å; R165-D182 IonicContact NH2-OD1 2.71Å; R165-D182 PolarHBondContact NH2-OD1 2.67Å; R165-D182 IonicContact NH2-OD2 2.72Å
166	Y	98.6	Very high	96.8	Very high	8 Å²	8	54.4 Å²	54.4	3%	0.031	30%	0.296	C	S	.	.			trans	-143.3	-46.2	-177.2	-171.5	-90.3	0	0	0	112.8	P143 Y164 L174 D175 H199 V204 P206	P143-Y166 HydrophobicContact CB-CD1 4.35Å; P143-Y166 HydrophobicContact CB-CD2 3.65Å; P143-Y166 HydrophobicContact CB-CE2 4.41Å; P143-Y166 HydrophobicContact CB-CG 3.59Å; Y164-Y166 HydrophobicContact CE2-CD2 4.01Å; Y166-L174 HydrophobicContact CD1-CD1 4.03Å; Y166-L174 HydrophobicContact CD2-CD1 3.79Å; Y166-L174 HydrophobicContact CE1-CD1 3.82Å; Y166-L174 HydrophobicContact CE2-CD1 3.59Å; Y166-L174 HydrophobicContact CG-CD1 4.02Å; Y166-L174 CarbonylContact O-C 3.59Å; Y166-L174 WeakPolarHBondContact O-CA 3.38Å; Y166-L174 WeakPolarHBondContact O-CD1 3.24Å; Y166-D175 PolarHBondContact O-N 2.71Å; Y166-H199 AromaticContact CD1-CE1 3.92Å; Y166-H199 AromaticContact CD1-NE2 3.94Å; Y166-H199 HydrophobicContact CE1-CB 4.24Å; Y166-H199 AromaticContact CE1-CD2 3.56Å; Y166-H199 AromaticContact CE1-CE1 3.79Å; Y166-H199 AromaticContact CE1-CG 3.58Å; Y166-H199 AromaticContact CE1-ND1 3.72Å; Y166-H199 AromaticContact CE1-NE2 3.74Å; Y166-H199 AromaticContact CZ-CD2 3.51Å; Y166-H199 AromaticContact CZ-CG 3.81Å; Y166-V204 HydrophobicContact CE1-CB 4.45Å; Y166-V204 WeakPolarHBondContact CE1-O 3.3Å; Y166-V204 PolarHBondContact OH-O 3.02Å; Y166-P206 WeakPolarHBondContact OH-CD 3.3Å
167	Y	96.8	Very high	96.9	Very high	39 Å²	39	53.6 Å²	53.6	15%	0.153	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	132.7	-175.3	-179.6	-100.6	0	0	0	112	T144 C172 T202 V204 Y370	T144-Y167 PolarHBondContact O-N 3.02Å; Y167-C172 VanDerWaalsContact OH-CA 3.3Å; Y167-C172 WeakPolarHBondContact OH-CA 3.46Å; Y167-C172 WeakPolarHBondContact OH-CB 3.48Å; Y167-C172 PolarHBondContact OH-SG 2.98Å; Y167-C172 VanDerWaalsContact OH-SG 3.36Å; Y167-T202 HydrophobicContact CD2-CG2 3.73Å; Y167-T202 HydrophobicContact CE2-CG2 4.36Å; Y167-T202 HydrophobicContact CG-CG2 4.03Å; Y167-V204 HydrophobicContact CD2-CG2 4.04Å; Y167-V204 HydrophobicContact CE2-CG2 4.05Å; Y167-Y370 HydrophobicContact CD1-CD2 4.15Å; Y167-Y370 HydrophobicContact CD1-CE2 4.44Å; Y167-Y370 HydrophobicContact CD2-CD2 4.44Å; Y167-Y370 AromaticContact CE1-CD2 3.71Å; Y167-Y370 HydrophobicContact CE1-CD2 3.71Å; Y167-Y370 HydrophobicContact CE1-CE2 4.34Å; Y167-Y370 HydrophobicContact CE2-CD2 4.02Å; Y167-Y370 HydrophobicContact CG-CD2 4.48Å; Y167-Y370 AromaticContact CZ-CD2 3.63Å
168	N	95.4	Very high	96.9	Very high	47 Å²	47	53.4 Å²	53.4	25%	0.251	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	112.1	172	-175.6	-23.9	0	0	0	109.7	N170 T171 C172 G173 D175	N168-N170 VanDerWaalsContact C-N 3.25Å; N168-N170 PolarHBondContact O-N 2.92Å; N168-N170 WeakPolarHBondContact OD1-CB 3.22Å; N168-N170 PolarHBondContact OD1-N 3.27Å; N168-T171 WeakPolarHBondContact CB-OG1 3.31Å; N168-T171 PolarHBondContact O-N 3.45Å; N168-T171 PolarHBondContact OD1-N 3.36Å; N168-C172 WeakPolarHBondContact O-CA 3.45Å; N168-C172 PolarHBondContact O-N 2.91Å; N168-G173 PolarHBondContact N-O 2.89Å; N168-G173 PolarHBondContact O-N 2.96Å; N168-D175 HydrophobicContact CB-CB 4.08Å
169	S	92.1	Very high	96.9	Very high	87 Å²	87	51.4 Å²	51.4	61%	0.608	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-24.4	-179.7	55.9	0	0	0	0	114.1
170	N	91	Very high	96.9	Very high	148 Å²	148	52.5 Å²	52.5	79%	0.791	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-29.4	-179.1	-60.4	-22	0	0	0	111.8	N168	N168-N170 VanDerWaalsContact C-N 3.25Å; N168-N170 PolarHBondContact O-N 2.92Å; N168-N170 WeakPolarHBondContact OD1-CB 3.22Å; N168-N170 PolarHBondContact OD1-N 3.27Å
171	T	91.9	Very high	96.9	Very high	91 Å²	91	50.5 Å²	50.5	56%	0.558	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	-6.1	-179.9	64.7	0	0	0	0	113.3	N168 G173	N168-T171 WeakPolarHBondContact CB-OG1 3.31Å; N168-T171 PolarHBondContact O-N 3.45Å; N168-T171 PolarHBondContact OD1-N 3.36Å; T171-G173 PolarHBondContact O-N 3.06Å; T171-G173 VanDerWaalsContact O-N 3.11Å; T171-G173 PolarHBondContact OG1-N 3.24Å
172	C	92.8	Very high	96.9	Very high	14 Å²	14	50.2 Å²	50.2	10%	0.095	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	51	28.8	-171.3	-63.6	0	0	0	0	114.3	Y167 N168 H360 Q364	Y167-C172 VanDerWaalsContact OH-CA 3.3Å; Y167-C172 WeakPolarHBondContact OH-CA 3.46Å; Y167-C172 WeakPolarHBondContact OH-CB 3.48Å; Y167-C172 PolarHBondContact OH-SG 2.98Å; Y167-C172 VanDerWaalsContact OH-SG 3.36Å; N168-C172 WeakPolarHBondContact O-CA 3.45Å; N168-C172 PolarHBondContact O-N 2.91Å; C172-H360 HydrophobicContact CB-CB 3.55Å; C172-Q364 PolarHBondContact O-NE2 3.04Å; C172-Q364 VanDerWaalsContact O-NE2 3.09Å
173	G	95	Very high	96.9	Very high	18 Å²	18	47.4 Å²	47.4	19%	0.186	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	-166.8	-174.8	0	0	0	0	0	113.2	N168 T171	N168-G173 PolarHBondContact N-O 2.89Å; N168-G173 PolarHBondContact O-N 2.96Å; T171-G173 PolarHBondContact O-N 3.06Å; T171-G173 VanDerWaalsContact O-N 3.11Å; T171-G173 PolarHBondContact OG1-N 3.24Å
174	L	97.6	Very high	96.9	Very high	26 Å²	26	44.7 Å²	44.7	14%	0.136	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	124	-179.5	-172.4	74.3	0	0	0	109.7	Y166 I176 V204 P206	Y166-L174 HydrophobicContact CD1-CD1 4.03Å; Y166-L174 HydrophobicContact CD2-CD1 3.79Å; Y166-L174 HydrophobicContact CE1-CD1 3.82Å; Y166-L174 HydrophobicContact CE2-CD1 3.59Å; Y166-L174 HydrophobicContact CG-CD1 4.02Å; Y166-L174 CarbonylContact O-C 3.59Å; Y166-L174 WeakPolarHBondContact O-CA 3.38Å; Y166-L174 WeakPolarHBondContact O-CD1 3.24Å; L174-I176 HydrophobicContact CD2-CB 4.05Å; L174-I176 HydrophobicContact CD2-CD1 3.88Å; L174-I176 HydrophobicContact CD2-CG1 4.48Å; L174-I176 HydrophobicContact CG-CB 4.34Å; L174-I176 PolarHBondContact O-N 2.99Å; L174-V204 HydrophobicContact CB-CG1 3.7Å; L174-V204 HydrophobicContact CD1-CG1 4.37Å; L174-V204 VanDerWaalsContact N-CG1 3.34Å; L174-P206 HydrophobicContact CD2-CB 3.98Å; L174-P206 HydrophobicContact CD2-CG 4.16Å
175	D	98.3	Very high	96.9	Very high	35 Å²	35	51.1 Å²	51.1	19%	0.187	28%	0.278	C	S	.	.			trans	-75	71.9	163.6	-177.1	11.2	0	0	0	109	Y166 N168 D177 G178 C179	Y166-D175 PolarHBondContact O-N 2.71Å; N168-D175 HydrophobicContact CB-CB 4.08Å; D175-D177 VanDerWaalsContact C-N 3.31Å; D175-D177 PolarHBondContact O-N 3.31Å; D175-G178 PolarHBondContact O-N 3.49Å; D175-G178 WeakPolarHBondContact OD1-CA 3.3Å; D175-G178 PolarHBondContact OD1-N 3.21Å; D175-G178 WeakPolarHBondContact OD2-CA 3.07Å; D175-C179 WeakPolarHBondContact O-CB 3.06Å; D175-C179 PolarHBondContact O-N 3.28Å
176	I	98.4	Very high	96.9	Very high	29 Å²	29	46.1 Å²	46.1	15%	0.149	26%	0.259	C	S	.	.	H	α-helix	trans	-61.9	-40.7	-175.6	-176.4	60.6	0	0	0	111.3	L174 C179 L180 Q210	L174-I176 HydrophobicContact CD2-CB 4.05Å; L174-I176 HydrophobicContact CD2-CD1 3.88Å; L174-I176 HydrophobicContact CD2-CG1 4.48Å; L174-I176 HydrophobicContact CG-CB 4.34Å; L174-I176 PolarHBondContact O-N 2.99Å; I176-C179 WeakPolarHBondContact O-CB 3.15Å; I176-C179 PolarHBondContact O-N 3.17Å; I176-L180 HydrophobicContact CD1-CD1 3.91Å; I176-L180 HydrophobicContact CD1-CD2 4.07Å; I176-L180 HydrophobicContact CD1-CG 3.8Å; I176-L180 HydrophobicContact CG1-CD1 3.87Å; I176-L180 HydrophobicContact CG1-CG 4.17Å; I176-L180 WeakPolarHBondContact O-CB 3.47Å; I176-L180 VanDerWaalsContact O-CG 3.23Å; I176-L180 WeakPolarHBondContact O-CG 3.38Å; I176-L180 PolarHBondContact O-N 3.31Å; I176-Q210 HydrophobicContact CD1-CB 3.93Å; I176-Q210 HydrophobicContact CD1-CG 3.88Å; I176-Q210 HydrophobicContact CG1-CG 4.07Å
177	D	98.5	Very high	96.9	Very high	126 Å²	126	48.6 Å²	48.6	67%	0.674	28%	0.277	S	S	*	.	H	α-helix	trans	-69.5	-42.3	-178.4	-63.7	-33.3	0	0	0	111.3	D175 S181	D175-D177 VanDerWaalsContact C-N 3.31Å; D175-D177 PolarHBondContact O-N 3.31Å; D177-S181 WeakPolarHBondContact O-CB 3.24Å; D177-S181 PolarHBondContact O-N 2.93Å
178	G	98.6	Very high	97	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.01	30%	0.299	C	S	.	.	H	α-helix	trans	-62.6	-43.5	172.8	0	0	0	0	0	112.5	R165 D175 S181 D182	R165-G178 VanDerWaalsContact CZ-CA 3.45Å; R165-G178 PolarHBondContact NH2-O 2.89Å; D175-G178 PolarHBondContact O-N 3.49Å; D175-G178 WeakPolarHBondContact OD1-CA 3.3Å; D175-G178 PolarHBondContact OD1-N 3.21Å; D175-G178 WeakPolarHBondContact OD2-CA 3.07Å; G178-S181 PolarHBondContact O-N 2.73Å; G178-D182 VanDerWaalsContact O-CG 3.32Å; G178-D182 PolarHBondContact O-N 3.06Å
179	C	98.8	Very high	97.1	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.007	30%	0.295	C	S	.	.	H	α-helix	trans	-57.5	-56.6	176	179	0	0	0	0	111.4	R165 D175 I176 S181 D182 L183	R165-C179 WeakPolarHBondContact O-CA 3.35Å; R165-C179 VanDerWaalsContact O-CB 3.32Å; R165-C179 WeakPolarHBondContact O-CB 3.41Å; D175-C179 WeakPolarHBondContact O-CB 3.06Å; D175-C179 PolarHBondContact O-N 3.28Å; I176-C179 WeakPolarHBondContact O-CB 3.15Å; I176-C179 PolarHBondContact O-N 3.17Å; C179-S181 VanDerWaalsContact C-N 3.31Å; C179-S181 PolarHBondContact O-N 3.12Å; C179-D182 PolarHBondContact O-N 2.87Å; C179-L183 WeakPolarHBondContact O-CB 3.33Å; C179-L183 VanDerWaalsContact O-CG 3.24Å; C179-L183 WeakPolarHBondContact O-CG 3.47Å; C179-L183 PolarHBondContact O-N 3.33Å
180	L	98.8	Very high	97.4	Very high	29 Å²	29	48.5 Å²	48.5	15%	0.152	27%	0.269	C	S	.	.	H	α-helix	trans	-63.5	-36.9	-179.3	-61.3	176.5	0	0	0	111.9	I176 S184 K213 I214 I217	I176-L180 HydrophobicContact CD1-CD1 3.91Å; I176-L180 HydrophobicContact CD1-CD2 4.07Å; I176-L180 HydrophobicContact CD1-CG 3.8Å; I176-L180 HydrophobicContact CG1-CD1 3.87Å; I176-L180 HydrophobicContact CG1-CG 4.17Å; I176-L180 WeakPolarHBondContact O-CB 3.47Å; I176-L180 VanDerWaalsContact O-CG 3.23Å; I176-L180 WeakPolarHBondContact O-CG 3.38Å; I176-L180 PolarHBondContact O-N 3.31Å; L180-S184 WeakPolarHBondContact O-CB 3.4Å; L180-S184 PolarHBondContact O-N 2.71Å; L180-S184 PolarHBondContact O-OG 3.32Å; L180-K213 HydrophobicContact CD1-CB 4.14Å; L180-K213 HydrophobicContact CD1-CD 4.04Å; L180-K213 HydrophobicContact CD2-CB 3.86Å; L180-I214 HydrophobicContact CD2-CG1 3.96Å; L180-I217 HydrophobicContact CB-CD1 3.72Å; L180-I217 HydrophobicContact CD2-CD1 3.46Å; L180-I217 VanDerWaalsContact CD2-CD1 3.46Å; L180-I217 HydrophobicContact CG-CD1 4.09Å
181	S	98.8	Very high	97.8	Very high	44 Å²	44	42 Å²	42	31%	0.308	23%	0.233	S	C	.	.	H	α-helix	trans	-62.7	-42.3	176.9	-173.6	0	0	0	0	112.6	D177 G178 C179 K185	D177-S181 WeakPolarHBondContact O-CB 3.24Å; D177-S181 PolarHBondContact O-N 2.93Å; G178-S181 PolarHBondContact O-N 2.73Å; C179-S181 VanDerWaalsContact C-N 3.31Å; C179-S181 PolarHBondContact O-N 3.12Å; S181-K185 WeakPolarHBondContact O-CD 3.48Å; S181-K185 WeakPolarHBondContact O-CE 3.46Å; S181-K185 WeakPolarHBondContact O-CG 3.47Å; S181-K185 PolarHBondContact OG-NZ 3.23Å
182	D	98.9	Very high	98.1	Very high	31 Å²	31	37.6 Å²	37.6	17%	0.166	21%	0.207	C	C	.	.	H	α-helix	trans	-74.6	-45.7	-180	-68.9	-11.9	0	0	0	110.9	R165 G178 C179 S184 K185 I186	R165-D182 WeakPolarHBondContact CB-OD2 3.14Å; R165-D182 WeakPolarHBondContact CG-OD2 3.36Å; R165-D182 IonicContact CZ-OD1 2.65Å; R165-D182 IonicContact CZ-OD2 3.18Å; R165-D182 PolarHBondContact N-OD2 3.49Å; R165-D182 IonicContact NE-OD1 3.88Å; R165-D182 PolarHBondContact NE-OD1 3.27Å; R165-D182 IonicContact NE-OD2 2.86Å; R165-D182 PolarHBondContact NE-OD2 2.87Å; R165-D182 IonicContact NH2-OD1 2.71Å; R165-D182 PolarHBondContact NH2-OD1 2.67Å; R165-D182 IonicContact NH2-OD2 2.72Å; G178-D182 VanDerWaalsContact O-CG 3.32Å; G178-D182 PolarHBondContact O-N 3.06Å; C179-D182 PolarHBondContact O-N 2.87Å; D182-S184 PolarHBondContact O-N 3.48Å; D182-K185 PolarHBondContact O-N 3.04Å; D182-I186 PolarHBondContact O-N 3.5Å
183	L	98.9	Very high	98.4	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-57.3	-37.1	177.4	-68.2	178.3	0	0	0	112.3	Y164 C179 K185 I186 V192 I214 I217 L218	Y164-L183 HydrophobicContact CD1-CD2 4.37Å; Y164-L183 HydrophobicContact CD2-CD2 4.24Å; Y164-L183 HydrophobicContact CD2-CG 4.48Å; Y164-L183 HydrophobicContact CE2-CD2 4.44Å; Y164-L183 HydrophobicContact CG-CD2 4.22Å; C179-L183 WeakPolarHBondContact O-CB 3.33Å; C179-L183 VanDerWaalsContact O-CG 3.24Å; C179-L183 WeakPolarHBondContact O-CG 3.47Å; C179-L183 PolarHBondContact O-N 3.33Å; L183-K185 PolarHBondContact O-N 2.98Å; L183-I186 HydrophobicContact CD2-CD1 3.71Å; L183-I186 PolarHBondContact O-N 2.96Å; L183-V192 HydrophobicContact CD2-CG1 3.83Å; L183-V192 HydrophobicContact CD2-CG2 4.43Å; L183-I214 HydrophobicContact CD1-CG1 4.3Å; L183-I214 HydrophobicContact CD1-CG2 3.89Å; L183-I217 HydrophobicContact CB-CG2 3.81Å; L183-L218 HydrophobicContact CB-CD1 4.36Å; L183-L218 HydrophobicContact CD1-CD1 3.87Å; L183-L218 HydrophobicContact CD2-CD1 4.05Å; L183-L218 HydrophobicContact CG-CD1 4.32Å
184	S	98.6	Very high	98.6	Very high	54 Å²	54	36.3 Å²	36.3	38%	0.378	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-19.1	178.2	-61.3	0	0	0	0	114.1	L180 D182 R221	L180-S184 WeakPolarHBondContact O-CB 3.4Å; L180-S184 PolarHBondContact O-N 2.71Å; L180-S184 PolarHBondContact O-OG 3.32Å; D182-S184 PolarHBondContact O-N 3.48Å; S184-R221 PolarHBondContact O-NE 3.38Å
185	K	98.6	Very high	98.7	Very high	140 Å²	140	35.3 Å²	35.3	61%	0.609	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99	-9.2	-177.7	-66.2	167.3	-172.6	160.6	0	113.2	S181 D182 L183	S181-K185 WeakPolarHBondContact O-CD 3.48Å; S181-K185 WeakPolarHBondContact O-CE 3.46Å; S181-K185 WeakPolarHBondContact O-CG 3.47Å; S181-K185 PolarHBondContact OG-NZ 3.23Å; D182-K185 PolarHBondContact O-N 3.04Å; L183-K185 PolarHBondContact O-N 2.98Å
186	I	98.7	Very high	98.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	-61.9	135.2	-179.8	-64	178	0	0	0	109.3	W141 D182 L183 H190 V192 R221 L223	W141-I186 HydrophobicContact CB-CD1 3.87Å; W141-I186 HydrophobicContact CD2-CD1 3.69Å; W141-I186 HydrophobicContact CD2-CG1 3.76Å; W141-I186 HydrophobicContact CD2-CG2 4.49Å; W141-I186 HydrophobicContact CE3-CD1 4.13Å; W141-I186 HydrophobicContact CE3-CG1 4.13Å; W141-I186 HydrophobicContact CG-CD1 3.55Å; W141-I186 HydrophobicContact CG-CG1 4.08Å; W141-I186 HydrophobicContact CG-CG2 4.36Å; W141-I186 HydrophobicContact CZ2-CG1 4.18Å; W141-I186 VanDerWaalsContact NE1-CG2 3.35Å; D182-I186 PolarHBondContact O-N 3.5Å; L183-I186 HydrophobicContact CD2-CD1 3.71Å; L183-I186 PolarHBondContact O-N 2.96Å; I186-H190 HydrophobicContact CG2-CB 3.58Å; I186-V192 HydrophobicContact CD1-CG2 3.96Å; I186-R221 PolarHBondContact O-NH2 3.17Å; I186-L223 HydrophobicContact CB-CD1 3.81Å; I186-L223 HydrophobicContact CB-CD2 4.03Å; I186-L223 HydrophobicContact CD1-CD1 4.2Å; I186-L223 HydrophobicContact CG2-CD1 3.98Å; I186-L223 HydrophobicContact CG2-CD2 3.51Å; I186-L223 HydrophobicContact CG2-CG 4.38Å
187	P	98.4	Very high	98.6	Very high	61 Å²	61	32.6 Å²	32.6	40%	0.396	18%	0.176	S	C	.	.	P	Polyproline II helix	trans	-65.2	147.3	173.5	-19.3	31.3	0	0	0	112.2	H190 L223	P187-H190 WeakPolarHBondContact O-CB 3.47Å; P187-H190 PolarHBondContact O-CD2 3.37Å; P187-H190 VanDerWaalsContact O-CD2 3.3Å; P187-H190 PolarHBondContact O-N 2.94Å; P187-L223 WeakPolarHBondContact O-CD2 3.28Å
188	K	98.3	Very high	98.5	Very high	142 Å²	142	26.8 Å²	26.8	62%	0.617	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.4	141.9	177.9	174.7	177.3	-171	-164.7	0	112.1	H190 D222	K188-H190 PolarHBondContact O-N 3.45Å; K188-D222 HydrophobicContact CD-CB 4.42Å; K188-D222 WeakPolarHBondContact CE-OD2 3.48Å; K188-D222 HydrophobicContact CG-CB 4.04Å; K188-D222 IonicContact NZ-OD2 2.71Å
189	G	98.3	Very high	98.5	Very high	17 Å²	17	26.8 Å²	26.8	18%	0.175	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	-0.7	175.1	0	0	0	0	0	114.9	Q137 D222	Q137-G189 WeakPolarHBondContact CB-O 3.21Å; G189-D222 WeakPolarHBondContact CA-O 3.45Å; G189-D222 PolarHBondContact N-O 2.83Å
190	H	98.8	Very high	98.3	Very high	11 Å²	11	27.2 Å²	27.2	5%	0.051	15%	0.147	C	C	.	.			trans	-74.2	151.3	173.4	-73.4	-141.2	0	0	0	111.1	H139 W141 I186 P187 K188 I224	H139-H190 HydrophobicContact CB-CB 4.41Å; H139-H190 WeakPolarHBondContact CB-CE1 3.31Å; H139-H190 WeakPolarHBondContact CB-ND1 3.5Å; H139-H190 AromaticContact CD2-CE1 3.47Å; H139-H190 PolarHBondContact CD2-CE1 3.45Å; H139-H190 VanDerWaalsContact CD2-CE1 3.47Å; H139-H190 AromaticContact CD2-NE2 3.61Å; H139-H190 AromaticContact CG-CE1 3.32Å; H139-H190 AromaticContact CG-ND1 3.69Å; H139-H190 AromaticContact CG-NE2 3.89Å; W141-H190 AromaticContact CD1-ND1 3.87Å; W141-H190 AromaticContact NE1-CG 3.84Å; W141-H190 AromaticContact NE1-ND1 3.09Å; W141-H190 PolarHBondContact NE1-ND1 3.14Å; I186-H190 HydrophobicContact CG2-CB 3.58Å; P187-H190 WeakPolarHBondContact O-CB 3.47Å; P187-H190 PolarHBondContact O-CD2 3.37Å; P187-H190 VanDerWaalsContact O-CD2 3.3Å; P187-H190 PolarHBondContact O-N 2.94Å; K188-H190 PolarHBondContact O-N 3.45Å; H190-I224 PolarHBondContact O-N 3.38Å
191	F	98.9	Very high	98	Very high	11 Å²	11	26.2 Å²	26.2	5%	0.048	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	143.9	177.1	-62.8	-95.2	0	0	0	110.8	I131 A135 Q137 H139 I140 W141 I224 L259	I131-F191 HydrophobicContact CB-CE2 4.37Å; I131-F191 HydrophobicContact CB-CZ 4.39Å; I131-F191 HydrophobicContact CD1-CB 4.44Å; I131-F191 HydrophobicContact CD1-CD1 3.61Å; I131-F191 HydrophobicContact CD1-CD2 4.06Å; I131-F191 HydrophobicContact CD1-CE1 3.8Å; I131-F191 HydrophobicContact CD1-CE2 4.25Å; I131-F191 HydrophobicContact CD1-CG 3.75Å; I131-F191 HydrophobicContact CD1-CZ 4.12Å; I131-F191 HydrophobicContact CG1-CD1 4.11Å; I131-F191 HydrophobicContact CG1-CD2 4.37Å; I131-F191 HydrophobicContact CG1-CE1 3.74Å; I131-F191 HydrophobicContact CG1-CE2 4.06Å; I131-F191 HydrophobicContact CG1-CG 4.41Å; I131-F191 HydrophobicContact CG1-CZ 3.72Å; I131-F191 HydrophobicContact CG2-CD2 3.79Å; I131-F191 HydrophobicContact CG2-CE2 3.43Å; I131-F191 VanDerWaalsContact CG2-CE2 3.43Å; I131-F191 HydrophobicContact CG2-CZ 3.91Å; A135-F191 HydrophobicContact CB-CE2 3.75Å; A135-F191 HydrophobicContact CB-CZ 3.79Å; Q137-F191 WeakPolarHBondContact O-CE2 3.43Å; H139-F191 PolarHBondContact O-N 3.02Å; I140-F191 CarbonylContact C-O 3.31Å; I140-F191 WeakPolarHBondContact CA-O 3.43Å; I140-F191 HydrophobicContact CB-CB 4.23Å; I140-F191 HydrophobicContact CD1-CB 4.42Å; I140-F191 HydrophobicContact CG1-CB 4.01Å; W141-F191 PolarHBondContact N-O 3.25Å; F191-I224 CarbonylContact C-O 3.58Å; F191-I224 WeakPolarHBondContact CA-O 3.35Å; F191-I224 HydrophobicContact CD1-CB 3.69Å; F191-I224 HydrophobicContact CD1-CD1 4.3Å; F191-I224 HydrophobicContact CD1-CG2 3.65Å; F191-I224 HydrophobicContact CE1-CB 3.85Å; F191-I224 HydrophobicContact CE1-CD1 3.73Å; F191-I224 HydrophobicContact CE1-CG1 4.4Å; F191-I224 HydrophobicContact CE1-CG2 3.56Å; F191-I224 HydrophobicContact CE2-CD1 4.16Å; F191-I224 HydrophobicContact CG-CB 4.33Å; F191-I224 HydrophobicContact CZ-CD1 3.64Å; F191-L259 HydrophobicContact CD1-CD1 3.94Å; F191-L259 HydrophobicContact CE1-CD1 3.67Å
192	V	99	Very high	97.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	115.6	176.9	-177.4	0	0	0	0	109.2	Y164 L183 I186 L194 L218 L223 I224 F226	Y164-V192 HydrophobicContact CE1-CG1 4.04Å; L183-V192 HydrophobicContact CD2-CG1 3.83Å; L183-V192 HydrophobicContact CD2-CG2 4.43Å; I186-V192 HydrophobicContact CD1-CG2 3.96Å; V192-L194 HydrophobicContact CG1-CD2 3.94Å; V192-L194 HydrophobicContact CG1-CG 4.27Å; V192-L218 HydrophobicContact CB-CD2 4.02Å; V192-L218 HydrophobicContact CG1-CD2 4.22Å; V192-L218 HydrophobicContact CG2-CD2 4.34Å; V192-L218 HydrophobicContact CG2-CG 4.31Å; V192-L223 HydrophobicContact CG2-CB 4.15Å; V192-L223 HydrophobicContact CG2-CD1 3.96Å; V192-I224 PolarHBondContact N-O 3.45Å; V192-F226 PolarHBondContact O-N 2.9Å
193	L	98.9	Very high	97.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	123.6	175.6	-176.1	73.3	0	0	0	110.2	L124 I140 W141 M142 P143 H150 F154 Y164 F226 D228	L124-L193 HydrophobicContact CD2-CD1 4.13Å; I140-L193 HydrophobicContact CD1-CB 4.28Å; I140-L193 HydrophobicContact CG1-CB 4.42Å; W141-L193 PolarHBondContact O-N 3.23Å; M142-L193 HydrophobicContact CB-CB 4.12Å; M142-L193 HydrophobicContact CB-CD2 3.84Å; P143-L193 WeakPolarHBondContact CD-O 3.48Å; H150-L193 HydrophobicContact CB-CD2 4.04Å; H150-L193 WeakPolarHBondContact ND1-CD2 3.36Å; F154-L193 HydrophobicContact CE2-CD1 4.07Å; F154-L193 HydrophobicContact CE2-CD2 3.94Å; F154-L193 HydrophobicContact CZ-CD1 4.04Å; Y164-L193 PolarHBondContact OH-O 3.17Å; Y164-L193 VanDerWaalsContact OH-O 3.07Å; L193-F226 CarbonylContact C-O 3.59Å; L193-F226 VanDerWaalsContact CA-O 3.3Å; L193-F226 WeakPolarHBondContact CA-O 3.38Å; L193-F226 HydrophobicContact CD1-CD1 3.86Å; L193-F226 HydrophobicContact CD1-CE1 4.43Å; L193-F226 HydrophobicContact CD1-CG 4.33Å; L193-D228 HydrophobicContact CD1-CB 4.37Å
194	L	98.9	Very high	97.6	Very high	4 Å²	4	23.3 Å²	23.3	2%	0.021	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	135.6	-179.5	-60.7	171.9	0	0	0	109.4	V192 W211 I214 L218 P225 F226 F227 D228 F249	V192-L194 HydrophobicContact CG1-CD2 3.94Å; V192-L194 HydrophobicContact CG1-CG 4.27Å; L194-W211 HydrophobicContact CB-CH2 4.24Å; L194-W211 HydrophobicContact CB-CZ3 4.37Å; L194-W211 HydrophobicContact CD1-CZ3 4.18Å; L194-W211 HydrophobicContact CD2-CZ3 4.15Å; L194-W211 HydrophobicContact CG-CZ3 4.46Å; L194-I214 HydrophobicContact CD2-CG2 4.34Å; L194-L218 HydrophobicContact CD1-CD2 3.96Å; L194-P225 HydrophobicContact CD1-CB 4.17Å; L194-F226 PolarHBondContact N-O 3.4Å; L194-F227 HydrophobicContact CB-CD1 3.78Å; L194-F227 HydrophobicContact CB-CE1 3.77Å; L194-F227 HydrophobicContact CB-CG 4.47Å; L194-F227 HydrophobicContact CB-CZ 4.45Å; L194-F227 HydrophobicContact CD1-CD1 4.47Å; L194-F227 HydrophobicContact CD1-CE1 3.84Å; L194-F227 HydrophobicContact CD1-CE2 4.21Å; L194-F227 HydrophobicContact CD1-CZ 3.69Å; L194-F227 HydrophobicContact CG-CE1 4.48Å; L194-F227 CarbonylContact O-C 3.34Å; L194-F227 VanDerWaalsContact O-CA 3.3Å; L194-F227 WeakPolarHBondContact O-CA 3.24Å; L194-D228 PolarHBondContact O-N 2.93Å; L194-F249 HydrophobicContact CD1-CE1 3.79Å; L194-F249 HydrophobicContact CD1-CZ 3.97Å
195	H	98.6	Very high	97.5	Very high	5 Å²	5	22.6 Å²	22.6	2%	0.023	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	124.7	170.4	-68.1	-137.9	0	0	0	107.3	T146 H150 C197 H199 N200 W211 D228	T146-H195 PolarHBondContact OG1-NE2 2.93Å; H150-H195 AromaticContact CE1-CE1 3.56Å; H150-H195 AromaticContact CE1-NE2 3.26Å; H150-H195 PolarHBondContact CE1-NE2 3.26Å; H150-H195 VanDerWaalsContact CE1-NE2 3.26Å; H150-H195 AromaticContact ND1-NE2 3.72Å; H195-C197 VanDerWaalsContact C-N 3.3Å; H195-C197 PolarHBondContact O-N 2.78Å; H195-H199 HydrophobicContact CB-CB 4.24Å; H195-H199 AromaticContact CD2-CD2 3.65Å; H195-H199 AromaticContact CD2-NE2 3.9Å; H195-H199 AromaticContact CG-CD2 3.46Å; H195-H199 VanDerWaalsContact CG-CD2 3.46Å; H195-H199 AromaticContact ND1-CD2 3.76Å; H195-H199 AromaticContact NE2-NE2 3.91Å; H195-N200 PolarHBondContact CE1-O 3.12Å; H195-N200 VanDerWaalsContact CE1-O 3.25Å; H195-N200 PolarHBondContact ND1-N 3.37Å; H195-N200 VanDerWaalsContact ND1-N 3.19Å; H195-W211 WeakPolarHBondContact O-CH2 3.41Å; H195-W211 WeakPolarHBondContact O-CZ2 3.1Å; H195-D228 WeakPolarHBondContact CA-O 3.43Å
196	A	98.2	Very high	97.5	Very high	5 Å²	5	16.4 Å²	16.4	4%	0.041	9%	0.09	C	C	.	.	S	Bend	trans	-64.1	-37.8	-175.1	0	0	0	0	0	112.6	F227 D228 C229 I246	A196-F227 HydrophobicContact CB-CD1 4.22Å; A196-D228 PolarHBondContact N-O 2.95Å; A196-C229 HydrophobicContact CB-CB 3.86Å; A196-I246 HydrophobicContact CB-CD1 3.66Å; A196-I246 HydrophobicContact CB-CG1 3.93Å
197	C	98	Very high	97.4	Very high	3 Å²	3	20.2 Å²	20.2	2%	0.02	11%	0.113	C	C	.	.	S	Bend	trans	-164.3	164.8	176.7	56.3	0	0	0	0	110.1	H195 H199 D205 A235 D242	H195-C197 VanDerWaalsContact C-N 3.3Å; H195-C197 PolarHBondContact O-N 2.78Å; C197-H199 PolarHBondContact O-N 3.43Å; C197-D205 VanDerWaalsContact CA-OD2 3.24Å; C197-D205 WeakPolarHBondContact CA-OD2 3.48Å; C197-A235 HydrophobicContact CB-CB 3.97Å; C197-D242 HydrophobicContact CB-CB 4.11Å
198	A	96.7	Very high	97.4	Very high	3 Å²	3	21.5 Å²	21.5	3%	0.025	11%	0.113	C	C	.	.	S	Bend	trans	44.9	60.4	-176.8	0	0	0	0	0	112.4	N200 D205 Y231 A235	A198-N200 PolarHBondContact O-N 3.19Å; A198-N200 VanDerWaalsContact O-N 3.13Å; A198-D205 WeakPolarHBondContact CA-OD1 3.37Å; A198-D205 VanDerWaalsContact N-CG 3.28Å; A198-D205 PolarHBondContact N-OD1 3.47Å; A198-D205 PolarHBondContact N-OD2 3.15Å; A198-Y231 HydrophobicContact CB-CD1 4.3Å; A198-Y231 HydrophobicContact CB-CD2 3.91Å; A198-Y231 HydrophobicContact CB-CG 3.73Å; A198-Y231 WeakPolarHBondContact O-CD2 3.43Å; A198-Y231 WeakPolarHBondContact O-CE2 3.33Å; A198-A235 HydrophobicContact CB-CB 3.68Å
199	H	97.3	Very high	97.4	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	11%	0.109	C	C	.	.			trans	-47.4	120.5	-177.8	-178.7	-83.3	0	0	0	111.6	P143 P145 Y166 H195 C197 P201 T202 G203 V204 D205	P143-H199 VanDerWaalsContact CG-NE2 3.3Å; P143-H199 WeakPolarHBondContact CG-NE2 3.14Å; P145-H199 PolarHBondContact O-CE1 3.41Å; Y166-H199 AromaticContact CD1-CE1 3.92Å; Y166-H199 AromaticContact CD1-NE2 3.94Å; Y166-H199 HydrophobicContact CE1-CB 4.24Å; Y166-H199 AromaticContact CE1-CD2 3.56Å; Y166-H199 AromaticContact CE1-CE1 3.79Å; Y166-H199 AromaticContact CE1-CG 3.58Å; Y166-H199 AromaticContact CE1-ND1 3.72Å; Y166-H199 AromaticContact CE1-NE2 3.74Å; Y166-H199 AromaticContact CZ-CD2 3.51Å; Y166-H199 AromaticContact CZ-CG 3.81Å; H195-H199 HydrophobicContact CB-CB 4.24Å; H195-H199 AromaticContact CD2-CD2 3.65Å; H195-H199 AromaticContact CD2-NE2 3.9Å; H195-H199 AromaticContact CG-CD2 3.46Å; H195-H199 VanDerWaalsContact CG-CD2 3.46Å; H195-H199 AromaticContact ND1-CD2 3.76Å; H195-H199 AromaticContact NE2-NE2 3.91Å; C197-H199 PolarHBondContact O-N 3.43Å; H199-P201 CarbonylContact O-C 3.58Å; H199-T202 PolarHBondContact ND1-OG1 2.94Å; H199-T202 PolarHBondContact O-N 3.3Å; H199-T202 VanDerWaalsContact O-N 3.09Å; H199-G203 WeakPolarHBondContact O-CA 3.21Å; H199-G203 PolarHBondContact O-N 3.29Å; H199-V204 WeakPolarHBondContact CB-O 3.37Å; H199-D205 PolarHBondContact N-OD1 3.46Å
200	N	94.6	Very high	97.4	Very high	11 Å²	11	20.5 Å²	20.5	6%	0.059	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	120.6	179.5	177.9	13.7	0	0	0	109.1	T146 W147 H195 A198 Y231 F368	T146-N200 CarbonylContact C-O 3.57Å; T146-N200 VanDerWaalsContact C-O 3.31Å; W147-N200 HydrophobicContact CB-CB 4.43Å; W147-N200 PolarHBondContact N-O 2.8Å; H195-N200 PolarHBondContact CE1-O 3.12Å; H195-N200 VanDerWaalsContact CE1-O 3.25Å; H195-N200 PolarHBondContact ND1-N 3.37Å; H195-N200 VanDerWaalsContact ND1-N 3.19Å; A198-N200 PolarHBondContact O-N 3.19Å; A198-N200 VanDerWaalsContact O-N 3.13Å; N200-Y231 HydrophobicContact CB-CE2 4.08Å; N200-Y231 PolarHBondContact ND2-OH 3.38Å; N200-F368 HydrophobicContact CB-CD2 4.41Å
201	P	93.6	Very high	97.4	Very high	8 Å²	8	20.6 Å²	20.6	5%	0.052	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	cis	-102.8	-2	19.9	38.4	-38.5	0	0	0	117.2	P145 H199 F368 Y370 R394	P145-P201 HydrophobicContact CB-CG 4.21Å; P145-P201 HydrophobicContact CG-CG 4.02Å; H199-P201 CarbonylContact O-C 3.58Å; P201-F368 WeakPolarHBondContact O-CB 3.45Å; P201-Y370 HydrophobicContact CB-CD1 4.36Å; P201-Y370 HydrophobicContact CB-CE1 3.64Å; P201-Y370 HydrophobicContact CG-CD1 4.46Å; P201-Y370 HydrophobicContact CG-CE1 3.51Å; P201-Y370 HydrophobicContact CG-CE2 4.39Å; P201-Y370 VanDerWaalsContact CG-CZ 3.49Å; P201-Y370 VanDerWaalsContact CG-OH 3.3Å; P201-Y370 WeakPolarHBondContact CG-OH 3.07Å; P201-R394 HydrophobicContact CB-CG 3.88Å
202	T	94.8	Very high	97.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-27.8	-163.2	62.5	0	0	0	0	114.7	P145 Y167 H199 V204 Q364 Y370	P145-T202 HydrophobicContact CG-CG2 3.63Å; Y167-T202 HydrophobicContact CD2-CG2 3.73Å; Y167-T202 HydrophobicContact CE2-CG2 4.36Å; Y167-T202 HydrophobicContact CG-CG2 4.03Å; H199-T202 PolarHBondContact ND1-OG1 2.94Å; H199-T202 PolarHBondContact O-N 3.3Å; H199-T202 VanDerWaalsContact O-N 3.09Å; T202-V204 PolarHBondContact O-N 3.33Å; T202-V204 PolarHBondContact OG1-N 3.42Å; T202-V204 VanDerWaalsContact OG1-N 3.1Å; T202-Q364 PolarHBondContact O-OE1 3.38Å; T202-Y370 HydrophobicContact CG2-CD2 3.96Å; T202-Y370 HydrophobicContact CG2-CE2 4.02Å; T202-Y370 HydrophobicContact CG2-CG 4.49Å
203	G	95.3	Very high	97.4	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.01	15%	0.146	C	C	.	.			trans	67.7	9.8	-165.8	0	0	0	0	0	113.7	H199 Q364 I365	H199-G203 WeakPolarHBondContact O-CA 3.21Å; H199-G203 PolarHBondContact O-N 3.29Å; G203-Q364 CarbonylContact O-C 3.45Å; G203-Q364 WeakPolarHBondContact O-CA 3.37Å; G203-Q364 WeakPolarHBondContact O-CB 3.39Å; G203-I365 VanDerWaalsContact CA-O 3.29Å; G203-I365 WeakPolarHBondContact CA-O 3.44Å; G203-I365 PolarHBondContact O-N 3.02Å
204	V	96.8	Very high	97.4	Very high	12 Å²	12	29.3 Å²	29.3	7%	0.073	15%	0.147	C	C	.	.			trans	-94.9	106.2	-178.3	176.3	0	0	0	0	108.9	Y166 Y167 L174 H199 T202 Q364	Y166-V204 HydrophobicContact CE1-CB 4.45Å; Y166-V204 WeakPolarHBondContact CE1-O 3.3Å; Y166-V204 PolarHBondContact OH-O 3.02Å; Y167-V204 HydrophobicContact CD2-CG2 4.04Å; Y167-V204 HydrophobicContact CE2-CG2 4.05Å; L174-V204 HydrophobicContact CB-CG1 3.7Å; L174-V204 HydrophobicContact CD1-CG1 4.37Å; L174-V204 VanDerWaalsContact N-CG1 3.34Å; H199-V204 WeakPolarHBondContact CB-O 3.37Å; T202-V204 PolarHBondContact O-N 3.33Å; T202-V204 PolarHBondContact OG1-N 3.42Å; T202-V204 VanDerWaalsContact OG1-N 3.1Å; V204-Q364 HydrophobicContact CG2-CG 3.76Å
205	D	97	Very high	97.4	Very high	40 Å²	40	29.1 Å²	29.1	21%	0.214	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-98.7	143.3	173.1	-73.9	-1	0	0	0	110.6	C197 A198 H199 I365	C197-D205 VanDerWaalsContact CA-OD2 3.24Å; C197-D205 WeakPolarHBondContact CA-OD2 3.48Å; A198-D205 WeakPolarHBondContact CA-OD1 3.37Å; A198-D205 VanDerWaalsContact N-CG 3.28Å; A198-D205 PolarHBondContact N-OD1 3.47Å; A198-D205 PolarHBondContact N-OD2 3.15Å; H199-D205 PolarHBondContact N-OD1 3.46Å; D205-I365 HydrophobicContact CB-CG2 4.17Å; D205-I365 WeakPolarHBondContact OD2-CG2 3.32Å
206	P	98.1	Very high	97.4	Very high	9 Å²	9	33.5 Å²	33.5	6%	0.058	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-62	143.5	169.7	-17.2	31	0	0	0	110.7	Y166 L174 Q210 W211 I214	Y166-P206 WeakPolarHBondContact OH-CD 3.3Å; L174-P206 HydrophobicContact CD2-CB 3.98Å; L174-P206 HydrophobicContact CD2-CG 4.16Å; P206-Q210 HydrophobicContact CB-CB 3.76Å; P206-W211 HydrophobicContact CB-CD2 4.09Å; P206-W211 HydrophobicContact CB-CG 4.1Å; P206-W211 HydrophobicContact CG-CD2 4.07Å; P206-W211 HydrophobicContact CG-CH2 4.24Å; P206-W211 HydrophobicContact CG-CZ2 3.74Å; P206-W211 VanDerWaalsContact O-CD1 3.25Å; P206-W211 PolarHBondContact O-NE1 3.37Å; P206-I214 HydrophobicContact CB-CD1 4.12Å; P206-I214 HydrophobicContact CG-CD1 3.91Å
207	T	97.3	Very high	97.4	Very high	80 Å²	80	34.4 Å²	34.4	49%	0.491	17%	0.17	S	C	.	.	P	Polyproline II helix	trans	-63.1	161.4	166	72.7	0	0	0	0	109.9	D209 Q210 W211	T207-D209 PolarHBondContact O-N 3.48Å; T207-Q210 CarbonylContact O-C 3.37Å; T207-Q210 WeakPolarHBondContact O-CA 3.36Å; T207-Q210 WeakPolarHBondContact O-CB 3.33Å; T207-Q210 PolarHBondContact O-N 2.97Å; T207-Q210 WeakPolarHBondContact OG1-CG 3.39Å; T207-Q210 PolarHBondContact OG1-N 3.04Å; T207-W211 PolarHBondContact O-N 3.23Å
208	F	98	Very high	97.5	Very high	88 Å²	88	34.3 Å²	34.3	39%	0.386	17%	0.17	S	C	.	.	H	α-helix	trans	-60.2	-34.9	-179.4	-169.1	-120.3	0	0	0	112.8	Q210 W211 K212 K244 Y248	F208-Q210 VanDerWaalsContact C-N 3.34Å; F208-W211 WeakPolarHBondContact O-CB 3.32Å; F208-W211 PolarHBondContact O-N 3.28Å; F208-K212 WeakPolarHBondContact O-CG 3.42Å; F208-K212 PolarHBondContact O-N 3.35Å; F208-K244 HydrophobicContact CD2-CB 4.34Å; F208-K244 HydrophobicContact CE2-CB 4.19Å; F208-Y248 HydrophobicContact CE2-CG 4.34Å; F208-Y248 HydrophobicContact CZ-CD2 4.22Å; F208-Y248 HydrophobicContact CZ-CG 4.35Å
209	D	98.5	Very high	97.6	Very high	99 Å²	99	38.8 Å²	38.8	53%	0.529	19%	0.189	S	C	.	.	H	α-helix	trans	-70.8	-30.1	174.7	-67.7	-30.3	0	0	0	112.9	T207 K212 K213	T207-D209 PolarHBondContact O-N 3.48Å; D209-K212 PolarHBondContact O-N 2.95Å; D209-K212 IonicContact OD1-NZ 3.62Å; D209-K212 PolarHBondContact OD1-NZ 2.94Å; D209-K213 WeakPolarHBondContact O-CG 3.35Å; D209-K213 PolarHBondContact O-N 3.1Å
210	Q	98.6	Very high	97.6	Very high	39 Å²	39	43.1 Å²	43.1	18%	0.182	22%	0.219	C	C	.	.	H	α-helix	trans	-69.9	-39.8	170.1	-69.5	170.4	-24.8	0	0	111.1	I176 P206 T207 F208 K212 K213 I214	I176-Q210 HydrophobicContact CD1-CB 3.93Å; I176-Q210 HydrophobicContact CD1-CG 3.88Å; I176-Q210 HydrophobicContact CG1-CG 4.07Å; P206-Q210 HydrophobicContact CB-CB 3.76Å; T207-Q210 CarbonylContact O-C 3.37Å; T207-Q210 WeakPolarHBondContact O-CA 3.36Å; T207-Q210 WeakPolarHBondContact O-CB 3.33Å; T207-Q210 PolarHBondContact O-N 2.97Å; T207-Q210 WeakPolarHBondContact OG1-CG 3.39Å; T207-Q210 PolarHBondContact OG1-N 3.04Å; F208-Q210 VanDerWaalsContact C-N 3.34Å; Q210-K212 VanDerWaalsContact C-N 3.28Å; Q210-K212 PolarHBondContact O-N 3.43Å; Q210-K213 PolarHBondContact O-N 3.1Å; Q210-K213 VanDerWaalsContact O-N 3.16Å; Q210-I214 WeakPolarHBondContact O-CG1 3.14Å; Q210-I214 PolarHBondContact O-N 3.46Å
211	W	98.7	Very high	97.8	Very high	14 Å²	14	47.3 Å²	47.3	5%	0.053	23%	0.234	C	C	.	.	H	α-helix	trans	-58	-39.9	171.7	-83.1	119.3	0	0	0	112.5	L194 H195 P206 T207 F208 I214 G215 F227 A245 F249	L194-W211 HydrophobicContact CB-CH2 4.24Å; L194-W211 HydrophobicContact CB-CZ3 4.37Å; L194-W211 HydrophobicContact CD1-CZ3 4.18Å; L194-W211 HydrophobicContact CD2-CZ3 4.15Å; L194-W211 HydrophobicContact CG-CZ3 4.46Å; H195-W211 WeakPolarHBondContact O-CH2 3.41Å; H195-W211 WeakPolarHBondContact O-CZ2 3.1Å; P206-W211 HydrophobicContact CB-CD2 4.09Å; P206-W211 HydrophobicContact CB-CG 4.1Å; P206-W211 HydrophobicContact CG-CD2 4.07Å; P206-W211 HydrophobicContact CG-CH2 4.24Å; P206-W211 HydrophobicContact CG-CZ2 3.74Å; P206-W211 VanDerWaalsContact O-CD1 3.25Å; P206-W211 PolarHBondContact O-NE1 3.37Å; T207-W211 PolarHBondContact O-N 3.23Å; F208-W211 WeakPolarHBondContact O-CB 3.32Å; F208-W211 PolarHBondContact O-N 3.28Å; W211-I214 HydrophobicContact CE3-CB 4.46Å; W211-I214 HydrophobicContact CE3-CD1 4.17Å; W211-I214 HydrophobicContact CE3-CG2 4.41Å; W211-I214 HydrophobicContact CZ3-CD1 4.4Å; W211-I214 HydrophobicContact CZ3-CG2 4.39Å; W211-I214 PolarHBondContact O-N 3.43Å; W211-G215 PolarHBondContact O-N 3.36Å; W211-F227 HydrophobicContact CH2-CE1 4.37Å; W211-F227 HydrophobicContact CZ3-CE1 4.32Å; W211-A245 HydrophobicContact CD2-CB 3.65Å; W211-A245 HydrophobicContact CE3-CB 4.11Å; W211-A245 HydrophobicContact CG-CB 3.99Å; W211-A245 HydrophobicContact CH2-CB 4.41Å; W211-A245 HydrophobicContact CZ2-CB 3.97Å; W211-A245 HydrophobicContact CZ3-CB 4.47Å; W211-F249 AromaticContact CE3-CE2 3.98Å; W211-F249 HydrophobicContact CE3-CE2 3.98Å; W211-F249 HydrophobicContact CE3-CZ 4.25Å; W211-F249 HydrophobicContact CZ3-CZ 4.46Å
212	K	98.8	Very high	98	Very high	73 Å²	73	50.3 Å²	50.3	32%	0.317	25%	0.25	S	C	.	.	H	α-helix	trans	-57.3	-51.2	172.1	-67.9	173.8	-169.2	159.3	0	111.6	F208 D209 Q210 I214 G215 E216 Y248	F208-K212 WeakPolarHBondContact O-CG 3.42Å; F208-K212 PolarHBondContact O-N 3.35Å; D209-K212 PolarHBondContact O-N 2.95Å; D209-K212 IonicContact OD1-NZ 3.62Å; D209-K212 PolarHBondContact OD1-NZ 2.94Å; Q210-K212 VanDerWaalsContact C-N 3.28Å; Q210-K212 PolarHBondContact O-N 3.43Å; K212-I214 VanDerWaalsContact C-N 3.34Å; K212-I214 PolarHBondContact O-N 3.19Å; K212-G215 PolarHBondContact O-N 3.24Å; K212-E216 WeakPolarHBondContact O-CG 3.21Å; K212-E216 PolarHBondContact O-N 2.87Å; K212-Y248 HydrophobicContact CB-CE1 4.24Å; K212-Y248 HydrophobicContact CG-CE1 4.08Å; K212-Y248 HydrophobicContact CG-CE2 3.99Å
213	K	98.8	Very high	98.2	Very high	117 Å²	117	50.4 Å²	50.4	51%	0.509	25%	0.25	S	C	.	.	H	α-helix	trans	-58.5	-43.8	177.9	-66.2	175.7	-177.2	-176.7	0	112.5	L180 D209 Q210 I217	L180-K213 HydrophobicContact CD1-CB 4.14Å; L180-K213 HydrophobicContact CD1-CD 4.04Å; L180-K213 HydrophobicContact CD2-CB 3.86Å; D209-K213 WeakPolarHBondContact O-CG 3.35Å; D209-K213 PolarHBondContact O-N 3.1Å; Q210-K213 PolarHBondContact O-N 3.1Å; Q210-K213 VanDerWaalsContact O-N 3.16Å; K213-I217 WeakPolarHBondContact O-CG1 3.5Å; K213-I217 PolarHBondContact O-N 2.81Å; K213-I217 VanDerWaalsContact O-N 3.17Å
214	I	98.9	Very high	98.4	Very high	3 Å²	3	52 Å²	52	2%	0.015	26%	0.258	C	S	.	.	H	α-helix	trans	-61.5	-50.2	176.9	-67.3	165.9	0	0	0	110	L180 L183 L194 P206 Q210 W211 K212 E216 I217 L218 F249	L180-I214 HydrophobicContact CD2-CG1 3.96Å; L183-I214 HydrophobicContact CD1-CG1 4.3Å; L183-I214 HydrophobicContact CD1-CG2 3.89Å; L194-I214 HydrophobicContact CD2-CG2 4.34Å; P206-I214 HydrophobicContact CB-CD1 4.12Å; P206-I214 HydrophobicContact CG-CD1 3.91Å; Q210-I214 WeakPolarHBondContact O-CG1 3.14Å; Q210-I214 PolarHBondContact O-N 3.46Å; W211-I214 HydrophobicContact CE3-CB 4.46Å; W211-I214 HydrophobicContact CE3-CD1 4.17Å; W211-I214 HydrophobicContact CE3-CG2 4.41Å; W211-I214 HydrophobicContact CZ3-CD1 4.4Å; W211-I214 HydrophobicContact CZ3-CG2 4.39Å; W211-I214 PolarHBondContact O-N 3.43Å; K212-I214 VanDerWaalsContact C-N 3.34Å; K212-I214 PolarHBondContact O-N 3.19Å; I214-E216 PolarHBondContact O-N 3.3Å; I214-I217 PolarHBondContact O-N 2.79Å; I214-L218 HydrophobicContact CG2-CD1 4.13Å; I214-L218 WeakPolarHBondContact O-CD1 3.5Å; I214-L218 PolarHBondContact O-N 3.34Å; I214-F249 HydrophobicContact CG2-CZ 4.14Å
215	G	98.8	Very high	98.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.8	-43.4	-179.1	0	0	0	0	0	113.4	W211 K212 I217 L218 K219 L253	W211-G215 PolarHBondContact O-N 3.36Å; K212-G215 PolarHBondContact O-N 3.24Å; G215-I217 VanDerWaalsContact C-N 3.35Å; G215-I217 PolarHBondContact O-N 3.44Å; G215-L218 PolarHBondContact O-N 3.21Å; G215-K219 WeakPolarHBondContact O-CB 3.38Å; G215-K219 PolarHBondContact O-N 2.87Å; G215-L253 VanDerWaalsContact CA-CD1 3.45Å
216	E	98.7	Very high	98.5	Very high	97 Å²	97	49.5 Å²	49.5	45%	0.453	24%	0.244	S	C	.	.	H	α-helix	trans	-63.4	-38	177.1	-68.5	-63.6	171	0	0	112.5	K212 I214 K219 S220 Y248 L253	K212-E216 WeakPolarHBondContact O-CG 3.21Å; K212-E216 PolarHBondContact O-N 2.87Å; I214-E216 PolarHBondContact O-N 3.3Å; E216-K219 PolarHBondContact O-N 3.23Å; E216-S220 VanDerWaalsContact O-CB 3.31Å; E216-S220 WeakPolarHBondContact O-CB 3.32Å; E216-S220 PolarHBondContact O-N 3.36Å; E216-S220 PolarHBondContact O-OG 3.25Å; E216-Y248 PolarHBondContact OE1-OH 3.19Å; E216-L253 WeakPolarHBondContact OE1-CD2 3.32Å
217	I	98.8	Very high	98.6	Very high	25 Å²	25	49 Å²	49	13%	0.128	24%	0.241	C	C	.	.	H	α-helix	trans	-64.7	-50.1	173.5	-69.3	174.4	0	0	0	110.3	L180 L183 K213 I214 G215 K219 S220 R221	L180-I217 HydrophobicContact CB-CD1 3.72Å; L180-I217 HydrophobicContact CD2-CD1 3.46Å; L180-I217 VanDerWaalsContact CD2-CD1 3.46Å; L180-I217 HydrophobicContact CG-CD1 4.09Å; L183-I217 HydrophobicContact CB-CG2 3.81Å; K213-I217 WeakPolarHBondContact O-CG1 3.5Å; K213-I217 PolarHBondContact O-N 2.81Å; K213-I217 VanDerWaalsContact O-N 3.17Å; I214-I217 PolarHBondContact O-N 2.79Å; G215-I217 VanDerWaalsContact C-N 3.35Å; G215-I217 PolarHBondContact O-N 3.44Å; I217-K219 PolarHBondContact O-N 3.27Å; I217-S220 PolarHBondContact O-N 2.92Å; I217-S220 PolarHBondContact O-OG 3.06Å; I217-R221 HydrophobicContact CG2-CG 4.13Å; I217-R221 VanDerWaalsContact O-CB 3.25Å; I217-R221 WeakPolarHBondContact O-CB 3.38Å; I217-R221 WeakPolarHBondContact O-CG 3.23Å; I217-R221 PolarHBondContact O-N 2.7Å
218	L	98.8	Very high	98.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-58.7	-39.8	179.5	-91.3	61.1	0	0	0	111.3	L183 V192 L194 I214 G215 D222 L223 P225 F249 F255	L183-L218 HydrophobicContact CB-CD1 4.36Å; L183-L218 HydrophobicContact CD1-CD1 3.87Å; L183-L218 HydrophobicContact CD2-CD1 4.05Å; L183-L218 HydrophobicContact CG-CD1 4.32Å; V192-L218 HydrophobicContact CB-CD2 4.02Å; V192-L218 HydrophobicContact CG1-CD2 4.22Å; V192-L218 HydrophobicContact CG2-CD2 4.34Å; V192-L218 HydrophobicContact CG2-CG 4.31Å; L194-L218 HydrophobicContact CD1-CD2 3.96Å; I214-L218 HydrophobicContact CG2-CD1 4.13Å; I214-L218 WeakPolarHBondContact O-CD1 3.5Å; I214-L218 PolarHBondContact O-N 3.34Å; G215-L218 PolarHBondContact O-N 3.21Å; L218-D222 PolarHBondContact O-N 2.92Å; L218-D222 VanDerWaalsContact O-N 3.15Å; L218-L223 HydrophobicContact CB-CB 4.2Å; L218-L223 HydrophobicContact CD1-CD1 4.18Å; L218-L223 HydrophobicContact CG-CB 3.95Å; L218-L223 HydrophobicContact CG-CD1 4.08Å; L218-L223 PolarHBondContact O-N 3.35Å; L218-P225 HydrophobicContact CD2-CB 4.33Å; L218-F249 HydrophobicContact CD2-CE1 3.84Å; L218-F255 HydrophobicContact CB-CE1 4.05Å; L218-F255 HydrophobicContact CB-CZ 3.65Å
219	K	98.5	Very high	98.7	Very high	98 Å²	98	41.6 Å²	41.6	43%	0.426	20%	0.203	S	C	.	.	H	α-helix	trans	-68.1	-49.7	178.6	-174.9	172.7	179.2	172.4	0	111.8	G215 E216 I217 R221 D222 L253 F255	G215-K219 WeakPolarHBondContact O-CB 3.38Å; G215-K219 PolarHBondContact O-N 2.87Å; E216-K219 PolarHBondContact O-N 3.23Å; I217-K219 PolarHBondContact O-N 3.27Å; K219-R221 PolarHBondContact O-N 3.46Å; K219-D222 PolarHBondContact O-N 3.39Å; K219-D222 VanDerWaalsContact O-N 3.13Å; K219-L253 HydrophobicContact CD-CB 4.19Å; K219-L253 HydrophobicContact CD-CD2 3.97Å; K219-L253 WeakPolarHBondContact CE-O 3.47Å; K219-L253 PolarHBondContact NZ-O 3.26Å; K219-F255 HydrophobicContact CB-CE1 4.23Å; K219-F255 HydrophobicContact CB-CE2 4.2Å; K219-F255 HydrophobicContact CB-CZ 3.72Å
220	S	98.3	Very high	98.7	Very high	92 Å²	92	37.3 Å²	37.3	64%	0.643	18%	0.181	S	C	*	.	H	α-helix	trans	-65.1	-26.6	-179.6	61.8	0	0	0	0	113.5	E216 I217	E216-S220 VanDerWaalsContact O-CB 3.31Å; E216-S220 WeakPolarHBondContact O-CB 3.32Å; E216-S220 PolarHBondContact O-N 3.36Å; E216-S220 PolarHBondContact O-OG 3.25Å; I217-S220 PolarHBondContact O-N 2.92Å; I217-S220 PolarHBondContact O-OG 3.06Å
221	R	98.2	Very high	98.6	Very high	98 Å²	98	35.7 Å²	35.7	37%	0.37	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-1.4	177.8	-62.8	-62.2	-60	160.2	-0.1	113.5	S184 I186 I217 K219 L223	S184-R221 PolarHBondContact O-NE 3.38Å; I186-R221 PolarHBondContact O-NH2 3.17Å; I217-R221 HydrophobicContact CG2-CG 4.13Å; I217-R221 VanDerWaalsContact O-CB 3.25Å; I217-R221 WeakPolarHBondContact O-CB 3.38Å; I217-R221 WeakPolarHBondContact O-CG 3.23Å; I217-R221 PolarHBondContact O-N 2.7Å; K219-R221 PolarHBondContact O-N 3.46Å; R221-L223 VanDerWaalsContact C-N 3.32Å; R221-L223 HydrophobicContact CB-CD1 4.01Å; R221-L223 HydrophobicContact CB-CD2 4.17Å; R221-L223 HydrophobicContact CB-CG 3.69Å; R221-L223 PolarHBondContact O-N 2.85Å
222	D	98.2	Very high	98.6	Very high	72 Å²	72	35.1 Å²	35.1	39%	0.385	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	52.9	-174.6	-170.9	37.4	0	0	0	111.8	K188 G189 L218 K219	K188-D222 HydrophobicContact CD-CB 4.42Å; K188-D222 WeakPolarHBondContact CE-OD2 3.48Å; K188-D222 HydrophobicContact CG-CB 4.04Å; K188-D222 IonicContact NZ-OD2 2.71Å; G189-D222 WeakPolarHBondContact CA-O 3.45Å; G189-D222 PolarHBondContact N-O 2.83Å; L218-D222 PolarHBondContact O-N 2.92Å; L218-D222 VanDerWaalsContact O-N 3.15Å; K219-D222 PolarHBondContact O-N 3.39Å; K219-D222 VanDerWaalsContact O-N 3.13Å
223	L	98.8	Very high	98.5	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.156	C	C	.	.			trans	-96.4	152	174.4	-54.4	-177.5	0	0	0	109.9	I186 P187 V192 L218 R221 P225 F255	I186-L223 HydrophobicContact CB-CD1 3.81Å; I186-L223 HydrophobicContact CB-CD2 4.03Å; I186-L223 HydrophobicContact CD1-CD1 4.2Å; I186-L223 HydrophobicContact CG2-CD1 3.98Å; I186-L223 HydrophobicContact CG2-CD2 3.51Å; I186-L223 HydrophobicContact CG2-CG 4.38Å; P187-L223 WeakPolarHBondContact O-CD2 3.28Å; V192-L223 HydrophobicContact CG2-CB 4.15Å; V192-L223 HydrophobicContact CG2-CD1 3.96Å; L218-L223 HydrophobicContact CB-CB 4.2Å; L218-L223 HydrophobicContact CD1-CD1 4.18Å; L218-L223 HydrophobicContact CG-CB 3.95Å; L218-L223 HydrophobicContact CG-CD1 4.08Å; L218-L223 PolarHBondContact O-N 3.35Å; R221-L223 VanDerWaalsContact C-N 3.32Å; R221-L223 HydrophobicContact CB-CD1 4.01Å; R221-L223 HydrophobicContact CB-CD2 4.17Å; R221-L223 HydrophobicContact CB-CG 3.69Å; R221-L223 PolarHBondContact O-N 2.85Å; L223-P225 WeakPolarHBondContact O-CD 3.48Å; L223-F255 WeakPolarHBondContact O-CE1 3.48Å
224	I	98.9	Very high	98.4	Very high	34 Å²	34	26.1 Å²	26.1	17%	0.174	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	113.1	-173.3	-54.5	166.3	0	0	0	109.6	H190 F191 V192 T257 L259	H190-I224 PolarHBondContact O-N 3.38Å; F191-I224 CarbonylContact C-O 3.58Å; F191-I224 WeakPolarHBondContact CA-O 3.35Å; F191-I224 HydrophobicContact CD1-CB 3.69Å; F191-I224 HydrophobicContact CD1-CD1 4.3Å; F191-I224 HydrophobicContact CD1-CG2 3.65Å; F191-I224 HydrophobicContact CE1-CB 3.85Å; F191-I224 HydrophobicContact CE1-CD1 3.73Å; F191-I224 HydrophobicContact CE1-CG1 4.4Å; F191-I224 HydrophobicContact CE1-CG2 3.56Å; F191-I224 HydrophobicContact CE2-CD1 4.16Å; F191-I224 HydrophobicContact CG-CB 4.33Å; F191-I224 HydrophobicContact CZ-CD1 3.64Å; V192-I224 PolarHBondContact N-O 3.45Å; I224-T257 HydrophobicContact CG2-CG2 4.09Å; I224-L259 HydrophobicContact CG2-CD1 3.84Å
225	P	98.9	Very high	98.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	134.4	179.2	29	-35.6	0	0	0	111.5	L194 L218 L223 F227 F249 F255 V258 L259	L194-P225 HydrophobicContact CD1-CB 4.17Å; L218-P225 HydrophobicContact CD2-CB 4.33Å; L223-P225 WeakPolarHBondContact O-CD 3.48Å; P225-F227 HydrophobicContact CB-CD2 4.34Å; P225-F227 HydrophobicContact CB-CE2 3.95Å; P225-F249 HydrophobicContact CB-CD1 3.86Å; P225-F249 HydrophobicContact CB-CE1 4.17Å; P225-F249 HydrophobicContact CG-CD1 4.07Å; P225-F255 HydrophobicContact CG-CB 4.39Å; P225-F255 HydrophobicContact CG-CD1 3.92Å; P225-F255 HydrophobicContact CG-CD2 4.46Å; P225-F255 HydrophobicContact CG-CE1 4.29Å; P225-F255 HydrophobicContact CG-CG 4.01Å; P225-V258 HydrophobicContact CG-CB 4.31Å; P225-V258 HydrophobicContact CG-CG1 4.12Å; P225-V258 HydrophobicContact CG-CG2 3.87Å; P225-L259 PolarHBondContact O-N 3.43Å
226	F	98.9	Very high	98.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	103.5	171.9	-166.3	-45.6	0	0	0	108.3	L124 I131 I140 F154 V192 L193 L194 L259 T261	L124-F226 HydrophobicContact CD2-CD1 4.49Å; L124-F226 HydrophobicContact CD2-CE1 3.68Å; L124-F226 HydrophobicContact CD2-CZ 4.16Å; I131-F226 HydrophobicContact CD1-CD2 3.92Å; I131-F226 HydrophobicContact CD1-CE2 3.96Å; I140-F226 HydrophobicContact CD1-CD2 4.23Å; F154-F226 AromaticContact CE1-CE2 3.97Å; F154-F226 HydrophobicContact CE1-CE2 3.97Å; F154-F226 HydrophobicContact CE1-CZ 4.14Å; F154-F226 HydrophobicContact CZ-CE1 4.44Å; F154-F226 HydrophobicContact CZ-CE2 4.26Å; F154-F226 HydrophobicContact CZ-CZ 4.18Å; V192-F226 PolarHBondContact O-N 2.9Å; L193-F226 CarbonylContact C-O 3.59Å; L193-F226 VanDerWaalsContact CA-O 3.3Å; L193-F226 WeakPolarHBondContact CA-O 3.38Å; L193-F226 HydrophobicContact CD1-CD1 3.86Å; L193-F226 HydrophobicContact CD1-CE1 4.43Å; L193-F226 HydrophobicContact CD1-CG 4.33Å; L194-F226 PolarHBondContact N-O 3.4Å; F226-L259 CarbonylContact C-O 3.43Å; F226-L259 WeakPolarHBondContact CA-O 3.24Å; F226-L259 HydrophobicContact CB-CB 4.16Å; F226-L259 HydrophobicContact CD1-CB 4.12Å; F226-L259 HydrophobicContact CD2-CB 3.67Å; F226-L259 HydrophobicContact CD2-CD2 3.64Å; F226-L259 HydrophobicContact CD2-CG 4.16Å; F226-L259 HydrophobicContact CE1-CB 4.42Å; F226-L259 HydrophobicContact CE2-CB 4.01Å; F226-L259 HydrophobicContact CE2-CD2 3.53Å; F226-L259 HydrophobicContact CE2-CG 4.38Å; F226-L259 HydrophobicContact CG-CB 3.71Å; F226-L259 HydrophobicContact CZ-CB 4.36Å; F226-L259 HydrophobicContact CZ-CD2 4.35Å; F226-T261 HydrophobicContact CE1-CG2 3.51Å; F226-T261 HydrophobicContact CZ-CG2 3.96Å
227	F	98.9	Very high	98	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	125.2	-180	-77.5	-80.7	0	0	0	112.7	L194 A196 W211 P225 A245 I246 F249 V258 L259 L260 T261	L194-F227 HydrophobicContact CB-CD1 3.78Å; L194-F227 HydrophobicContact CB-CE1 3.77Å; L194-F227 HydrophobicContact CB-CG 4.47Å; L194-F227 HydrophobicContact CB-CZ 4.45Å; L194-F227 HydrophobicContact CD1-CD1 4.47Å; L194-F227 HydrophobicContact CD1-CE1 3.84Å; L194-F227 HydrophobicContact CD1-CE2 4.21Å; L194-F227 HydrophobicContact CD1-CZ 3.69Å; L194-F227 HydrophobicContact CG-CE1 4.48Å; L194-F227 CarbonylContact O-C 3.34Å; L194-F227 VanDerWaalsContact O-CA 3.3Å; L194-F227 WeakPolarHBondContact O-CA 3.24Å; A196-F227 HydrophobicContact CB-CD1 4.22Å; W211-F227 HydrophobicContact CH2-CE1 4.37Å; W211-F227 HydrophobicContact CZ3-CE1 4.32Å; P225-F227 HydrophobicContact CB-CD2 4.34Å; P225-F227 HydrophobicContact CB-CE2 3.95Å; F227-A245 HydrophobicContact CE1-CB 4.31Å; F227-I246 HydrophobicContact CB-CG1 4.3Å; F227-I246 HydrophobicContact CD1-CG1 3.87Å; F227-I246 HydrophobicContact CD2-CG1 4.29Å; F227-I246 HydrophobicContact CE1-CG1 4.23Å; F227-I246 HydrophobicContact CG-CG1 3.9Å; F227-F249 HydrophobicContact CE2-CB 3.95Å; F227-F249 AromaticContact CE2-CD1 3.9Å; F227-F249 HydrophobicContact CE2-CD1 3.9Å; F227-F249 HydrophobicContact CE2-CD2 4.46Å; F227-F249 HydrophobicContact CE2-CE1 4.5Å; F227-F249 AromaticContact CE2-CG 3.86Å; F227-F249 HydrophobicContact CE2-CG 3.86Å; F227-F249 HydrophobicContact CZ-CB 4.18Å; F227-F249 AromaticContact CZ-CD1 3.88Å; F227-F249 HydrophobicContact CZ-CD1 3.88Å; F227-F249 AromaticContact CZ-CD2 3.86Å; F227-F249 HydrophobicContact CZ-CD2 3.86Å; F227-F249 HydrophobicContact CZ-CE1 4.16Å; F227-F249 HydrophobicContact CZ-CE2 4.13Å; F227-F249 AromaticContact CZ-CG 3.71Å; F227-F249 HydrophobicContact CZ-CG 3.71Å; F227-F249 HydrophobicContact CZ-CZ 4.26Å; F227-V258 HydrophobicContact CD2-CG1 3.92Å; F227-V258 HydrophobicContact CE2-CG1 4.34Å; F227-L259 PolarHBondContact N-O 2.83Å; F227-L260 HydrophobicContact CB-CD1 3.74Å; F227-T261 PolarHBondContact O-N 3.16Å; F227-T261 PolarHBondContact O-OG1 3.15Å
228	D	98.8	Very high	97.9	Very high	9 Å²	9	25.8 Å²	25.8	5%	0.048	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	107.8	159.5	-173.7	17.9	0	0	0	110.9	L124 H150 L193 L194 H195 A196 T261	L124-D228 HydrophobicContact CD2-CB 4.44Å; H150-D228 IonicContact CE1-OD2 2.73Å; H150-D228 IonicContact NE2-OD2 2.76Å; H150-D228 PolarHBondContact NE2-OD2 3.36Å; L193-D228 HydrophobicContact CD1-CB 4.37Å; L194-D228 PolarHBondContact O-N 2.93Å; H195-D228 WeakPolarHBondContact CA-O 3.43Å; A196-D228 PolarHBondContact N-O 2.95Å; D228-T261 WeakPolarHBondContact CA-OG1 3.47Å; D228-T261 PolarHBondContact OD1-OG1 2.92Å
229	C	98.7	Very high	97.8	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.014	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	71.8	-177.9	-164.9	0	0	0	0	110.6	A196 I246 L260 T261 Q262 S263	A196-C229 HydrophobicContact CB-CB 3.86Å; C229-I246 HydrophobicContact CB-CD1 4.07Å; C229-L260 HydrophobicContact CB-CD1 3.8Å; C229-T261 WeakPolarHBondContact CA-O 3.18Å; C229-T261 WeakPolarHBondContact CB-O 3.31Å; C229-T261 PolarHBondContact N-O 3.24Å; C229-Q262 HydrophobicContact CB-CG 4.29Å; C229-Q262 WeakPolarHBondContact O-CA 3.42Å; C229-S263 PolarHBondContact O-N 3.12Å
230	A	98.1	Very high	97.8	Very high	10 Å²	10	24.9 Å²	24.9	8%	0.083	14%	0.14	C	C	.	.	S	Bend	trans	-88.4	-14	-175.6	0	0	0	0	0	115
231	Y	97.8	Very high	97.8	Very high	5 Å²	5	23.4 Å²	23.4	2%	0.02	12%	0.124	C	C	.	.	S	Bend	trans	-129.2	15.2	-167.1	-59.4	-84.1	0	0	0	114.3	A198 N200 G233 F234 A235 K266 F368	A198-Y231 HydrophobicContact CB-CD1 4.3Å; A198-Y231 HydrophobicContact CB-CD2 3.91Å; A198-Y231 HydrophobicContact CB-CG 3.73Å; A198-Y231 WeakPolarHBondContact O-CD2 3.43Å; A198-Y231 WeakPolarHBondContact O-CE2 3.33Å; N200-Y231 HydrophobicContact CB-CE2 4.08Å; N200-Y231 PolarHBondContact ND2-OH 3.38Å; Y231-G233 PolarHBondContact O-N 3.03Å; Y231-G233 VanDerWaalsContact O-N 3.16Å; Y231-F234 HydrophobicContact CD1-CD1 4.11Å; Y231-F234 WeakPolarHBondContact O-CA 3.42Å; Y231-F234 WeakPolarHBondContact O-CB 3.46Å; Y231-F234 PolarHBondContact O-N 3.4Å; Y231-A235 PolarHBondContact O-N 3.26Å; Y231-K266 HydrophobicContact CD1-CB 4.09Å; Y231-K266 HydrophobicContact CD1-CG 3.87Å; Y231-K266 HydrophobicContact CE1-CB 4.41Å; Y231-K266 HydrophobicContact CE1-CD 4.15Å; Y231-K266 HydrophobicContact CE1-CG 3.68Å; Y231-F368 HydrophobicContact CE1-CE2 4.33Å; Y231-F368 VanDerWaalsContact OH-CE2 3.31Å; Y231-F368 WeakPolarHBondContact OH-CE2 3.38Å
232	Q	98.2	Very high	97.8	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.009	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	122.2	-173	-164.6	-175.9	-7.5	0	0	113.3	L98 F234 I239 D242 N267	L98-Q232 PolarHBondContact O-NE2 2.87Å; Q232-F234 PolarHBondContact O-N 3.08Å; Q232-I239 PolarHBondContact NE2-O 3.49Å; Q232-D242 HydrophobicContact CG-CB 4.22Å; Q232-N267 WeakPolarHBondContact O-CB 3.24Å; Q232-N267 PolarHBondContact O-ND2 3.22Å
233	G	97.5	Very high	97.8	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	-16.3	-176.6	0	0	0	0	0	114.2	Y231 G237 D238 D242 L331	Y231-G233 PolarHBondContact O-N 3.03Å; Y231-G233 VanDerWaalsContact O-N 3.16Å; G233-G237 CarbonylContact O-C 3.39Å; G233-G237 WeakPolarHBondContact O-CA 3.37Å; G233-G237 PolarHBondContact O-N 3.41Å; G233-D238 PolarHBondContact O-N 2.91Å; G233-D242 WeakPolarHBondContact CA-OD2 3.46Å; G233-D242 PolarHBondContact N-OD2 3.25Å; G233-L331 WeakPolarHBondContact O-CG 3.4Å
234	F	96	Very high	97.7	Very high	1 Å²	1	20.4 Å²	20.4	0%	0.004	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-17.6	177.3	-174.6	-141.2	0	0	0	112.8	Y53 Y231 Q232 D242 K266 L331 M334 I338 M367	Y53-F234 HydrophobicContact CD2-CE2 4.13Å; Y53-F234 AromaticContact CD2-CZ 3.79Å; Y53-F234 HydrophobicContact CD2-CZ 3.79Å; Y53-F234 HydrophobicContact CE2-CE2 4.46Å; Y231-F234 HydrophobicContact CD1-CD1 4.11Å; Y231-F234 WeakPolarHBondContact O-CA 3.42Å; Y231-F234 WeakPolarHBondContact O-CB 3.46Å; Y231-F234 PolarHBondContact O-N 3.4Å; Q232-F234 PolarHBondContact O-N 3.08Å; F234-D242 PolarHBondContact N-OD2 3.49Å; F234-K266 HydrophobicContact CD1-CB 3.84Å; F234-K266 HydrophobicContact CD1-CG 4.41Å; F234-K266 HydrophobicContact CE1-CB 4.37Å; F234-L331 HydrophobicContact CB-CD1 3.71Å; F234-L331 HydrophobicContact CD2-CD1 4.31Å; F234-L331 HydrophobicContact CG-CD1 4.37Å; F234-M334 HydrophobicContact CD2-CB 4.02Å; F234-M334 HydrophobicContact CE2-CB 3.68Å; F234-I338 HydrophobicContact CE2-CG1 4.03Å; F234-I338 HydrophobicContact CZ-CG1 4Å; F234-M367 HydrophobicContact CE1-CB 3.89Å; F234-M367 HydrophobicContact CE1-CG 4.29Å; F234-M367 HydrophobicContact CE1-SD 3.93Å; F234-M367 HydrophobicContact CZ-CB 4.32Å; F234-M367 HydrophobicContact CZ-CG 4.47Å; F234-M367 HydrophobicContact CZ-SD 4.31Å
235	A	94.9	Very high	97.7	Very high	2 Å²	2	18.9 Å²	18.9	2%	0.017	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-55.7	178.3	0	0	0	0	0	110	C197 A198 Y231 D242 I365	C197-A235 HydrophobicContact CB-CB 3.97Å; A198-A235 HydrophobicContact CB-CB 3.68Å; Y231-A235 PolarHBondContact O-N 3.26Å; A235-D242 WeakPolarHBondContact CA-OD2 3.4Å; A235-D242 VanDerWaalsContact CB-OD2 3.29Å; A235-D242 WeakPolarHBondContact CB-OD2 3.28Å; A235-D242 PolarHBondContact N-OD2 2.98Å; A235-I365 HydrophobicContact CB-CD1 4.02Å; A235-I365 HydrophobicContact CB-CG1 4.07Å; A235-I365 VanDerWaalsContact O-CD1 3.3Å; A235-I365 WeakPolarHBondContact O-CD1 3.38Å; A235-I365 WeakPolarHBondContact O-CG1 3.39Å
236	S	95.5	Very high	97.7	Very high	24 Å²	24	19 Å²	19	17%	0.168	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	-9.7	-177.5	64.6	0	0	0	0	115.4	D238 N241 D242	S236-D238 VanDerWaalsContact C-N 3.3Å; S236-D238 PolarHBondContact OG-N 3.28Å; S236-D238 PolarHBondContact OG-O 2.96Å; S236-N241 WeakPolarHBondContact CB-ND2 3.29Å; S236-N241 PolarHBondContact OG-ND2 2.91Å; S236-D242 VanDerWaalsContact CB-OD1 3.22Å; S236-D242 WeakPolarHBondContact CB-OD1 3.24Å; S236-D242 PolarHBondContact N-OD1 3.34Å; S236-D242 VanDerWaalsContact N-OD1 3.16Å; S236-D242 PolarHBondContact N-OD2 3.49Å; S236-D242 PolarHBondContact OG-OD1 3.03Å
237	G	96.4	Very high	97.7	Very high	16 Å²	16	20.8 Å²	20.8	17%	0.165	11%	0.111	C	C	.	.	S	Bend	trans	83.2	7.3	-168.9	0	0	0	0	0	113.4	G233 A335	G233-G237 CarbonylContact O-C 3.39Å; G233-G237 WeakPolarHBondContact O-CA 3.37Å; G233-G237 PolarHBondContact O-N 3.41Å; G237-A335 VanDerWaalsContact CA-CB 3.5Å
238	D	97.6	Very high	97.7	Very high	75 Å²	75	22 Å²	22	40%	0.401	12%	0.116	S	C	.	.			trans	-135.3	119	-179.7	178.3	-11.2	0	0	0	110.2	G233 S236 D240 N241 D242	G233-D238 PolarHBondContact O-N 2.91Å; S236-D238 VanDerWaalsContact C-N 3.3Å; S236-D238 PolarHBondContact OG-N 3.28Å; S236-D238 PolarHBondContact OG-O 2.96Å; D238-D240 VanDerWaalsContact C-N 3.25Å; D238-D240 PolarHBondContact O-N 3.36Å; D238-D240 WeakPolarHBondContact OD1-CB 3.33Å; D238-D240 PolarHBondContact OD1-N 2.62Å; D238-N241 HydrophobicContact CB-CB 3.88Å; D238-N241 PolarHBondContact O-N 3.47Å; D238-N241 PolarHBondContact OD1-N 3.43Å; D238-D242 WeakPolarHBondContact O-CB 3.25Å; D238-D242 PolarHBondContact O-N 3.06Å; D238-D242 VanDerWaalsContact O-N 3.16Å
239	I	97.7	Very high	97.7	Very high	11 Å²	11	21.6 Å²	21.6	6%	0.056	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-28.4	-178.6	54.3	162.3	0	0	0	113.3	L98 Q232 A243 W327 L328 L331	L98-I239 HydrophobicContact CD1-CB 4.28Å; L98-I239 HydrophobicContact CD1-CD1 3.74Å; L98-I239 HydrophobicContact CD1-CG2 4.26Å; Q232-I239 PolarHBondContact NE2-O 3.49Å; I239-A243 WeakPolarHBondContact O-CB 3.35Å; I239-W327 HydrophobicContact CG2-CH2 4.19Å; I239-L328 HydrophobicContact CD1-CD2 4Å; I239-L328 HydrophobicContact CG1-CD2 4.09Å; I239-L328 HydrophobicContact CG2-CD2 3.88Å; I239-L331 HydrophobicContact CG2-CD2 3.81Å
240	D	97.5	Very high	97.6	Very high	69 Å²	69	21.5 Å²	21.5	37%	0.369	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-42.1	-178	-70.4	-47.3	0	0	0	110.6	D238 D242 A243 K244 R247	D238-D240 VanDerWaalsContact C-N 3.25Å; D238-D240 PolarHBondContact O-N 3.36Å; D238-D240 WeakPolarHBondContact OD1-CB 3.33Å; D238-D240 PolarHBondContact OD1-N 2.62Å; D240-D242 VanDerWaalsContact C-N 3.3Å; D240-D242 PolarHBondContact O-N 2.78Å; D240-A243 PolarHBondContact O-N 3.44Å; D240-A243 VanDerWaalsContact O-N 3.15Å; D240-K244 PolarHBondContact O-N 2.76Å; D240-R247 IonicContact OD1-CZ 3.84Å; D240-R247 IonicContact OD1-NH1 2.99Å; D240-R247 PolarHBondContact OD1-NH1 3.07Å; D240-R247 IonicContact OD1-NH2 3.5Å; D240-R247 PolarHBondContact OD1-NH2 3.18Å
241	N	97.6	Very high	97.5	Very high	61 Å²	61	24 Å²	24	33%	0.326	13%	0.125	S	C	.	.	G	3₁₀ helix	trans	-59.5	-43.7	174.9	-172.3	53.9	0	0	0	111.6	S236 D238 A243 K244	S236-N241 WeakPolarHBondContact CB-ND2 3.29Å; S236-N241 PolarHBondContact OG-ND2 2.91Å; D238-N241 HydrophobicContact CB-CB 3.88Å; D238-N241 PolarHBondContact O-N 3.47Å; D238-N241 PolarHBondContact OD1-N 3.43Å; N241-A243 PolarHBondContact O-N 3.14Å; N241-K244 WeakPolarHBondContact O-CB 3.45Å; N241-K244 WeakPolarHBondContact O-CG 3.15Å; N241-K244 PolarHBondContact O-N 2.87Å; N241-K244 WeakPolarHBondContact OD1-CD 3.48Å; N241-K244 WeakPolarHBondContact OD1-CE 3.16Å; N241-K244 PolarHBondContact OD1-NZ 2.86Å
242	D	98.2	Very high	97.5	Very high	7 Å²	7	30.7 Å²	30.7	4%	0.037	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-70.7	-11.3	179.4	-73.8	5.2	0	0	0	113.8	C197 Q232 G233 F234 A235 S236 D238 D240	C197-D242 HydrophobicContact CB-CB 4.11Å; Q232-D242 HydrophobicContact CG-CB 4.22Å; G233-D242 WeakPolarHBondContact CA-OD2 3.46Å; G233-D242 PolarHBondContact N-OD2 3.25Å; F234-D242 PolarHBondContact N-OD2 3.49Å; A235-D242 WeakPolarHBondContact CA-OD2 3.4Å; A235-D242 VanDerWaalsContact CB-OD2 3.29Å; A235-D242 WeakPolarHBondContact CB-OD2 3.28Å; A235-D242 PolarHBondContact N-OD2 2.98Å; S236-D242 VanDerWaalsContact CB-OD1 3.22Å; S236-D242 WeakPolarHBondContact CB-OD1 3.24Å; S236-D242 PolarHBondContact N-OD1 3.34Å; S236-D242 VanDerWaalsContact N-OD1 3.16Å; S236-D242 PolarHBondContact N-OD2 3.49Å; S236-D242 PolarHBondContact OG-OD1 3.03Å; D238-D242 WeakPolarHBondContact O-CB 3.25Å; D238-D242 PolarHBondContact O-N 3.06Å; D238-D242 VanDerWaalsContact O-N 3.16Å; D240-D242 VanDerWaalsContact C-N 3.3Å; D240-D242 PolarHBondContact O-N 2.78Å
243	A	98.3	Very high	97.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-105.8	-1.8	177.6	0	0	0	0	0	113.9	I239 D240 N241 A245 I246 R247	I239-A243 WeakPolarHBondContact O-CB 3.35Å; D240-A243 PolarHBondContact O-N 3.44Å; D240-A243 VanDerWaalsContact O-N 3.15Å; N241-A243 PolarHBondContact O-N 3.14Å; A243-A245 VanDerWaalsContact C-N 3.28Å; A243-A245 PolarHBondContact O-N 3.32Å; A243-I246 PolarHBondContact O-N 3.34Å; A243-I246 VanDerWaalsContact O-N 3.1Å; A243-R247 WeakPolarHBondContact O-CG 3.4Å; A243-R247 PolarHBondContact O-N 2.79Å
244	K	98	Very high	97.5	Very high	100 Å²	100	35.4 Å²	35.4	44%	0.435	18%	0.181	S	C	.	.	H	α-helix	trans	-54.6	-40.8	-177.4	-78	175.8	178.9	167.5	0	113.4	F208 D240 N241 R247 Y248	F208-K244 HydrophobicContact CD2-CB 4.34Å; F208-K244 HydrophobicContact CE2-CB 4.19Å; D240-K244 PolarHBondContact O-N 2.76Å; N241-K244 WeakPolarHBondContact O-CB 3.45Å; N241-K244 WeakPolarHBondContact O-CG 3.15Å; N241-K244 PolarHBondContact O-N 2.87Å; N241-K244 WeakPolarHBondContact OD1-CD 3.48Å; N241-K244 WeakPolarHBondContact OD1-CE 3.16Å; N241-K244 PolarHBondContact OD1-NZ 2.86Å; K244-R247 PolarHBondContact O-N 3.45Å; K244-Y248 WeakPolarHBondContact O-CB 3.4Å; K244-Y248 PolarHBondContact O-N 3.49Å
245	A	98.5	Very high	97.6	Very high	3 Å²	3	35.8 Å²	35.8	3%	0.025	18%	0.183	C	C	.	.	H	α-helix	trans	-62	-47.3	178.2	0	0	0	0	0	111.4	W211 F227 A243 R247 Y248 F249	W211-A245 HydrophobicContact CD2-CB 3.65Å; W211-A245 HydrophobicContact CE3-CB 4.11Å; W211-A245 HydrophobicContact CG-CB 3.99Å; W211-A245 HydrophobicContact CH2-CB 4.41Å; W211-A245 HydrophobicContact CZ2-CB 3.97Å; W211-A245 HydrophobicContact CZ3-CB 4.47Å; F227-A245 HydrophobicContact CE1-CB 4.31Å; A243-A245 VanDerWaalsContact C-N 3.28Å; A243-A245 PolarHBondContact O-N 3.32Å; A245-R247 PolarHBondContact O-N 3.49Å; A245-Y248 PolarHBondContact O-N 3.11Å; A245-F249 WeakPolarHBondContact O-CD2 3.13Å; A245-F249 PolarHBondContact O-N 2.97Å
246	I	98.7	Very high	97.7	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-59.9	-49.6	177.8	-59.8	166.3	0	0	0	109.8	L100 A196 F227 C229 A243 Y248 F249 T250 L260	L100-I246 HydrophobicContact CD2-CG2 3.59Å; A196-I246 HydrophobicContact CB-CD1 3.66Å; A196-I246 HydrophobicContact CB-CG1 3.93Å; F227-I246 HydrophobicContact CB-CG1 4.3Å; F227-I246 HydrophobicContact CD1-CG1 3.87Å; F227-I246 HydrophobicContact CD2-CG1 4.29Å; F227-I246 HydrophobicContact CE1-CG1 4.23Å; F227-I246 HydrophobicContact CG-CG1 3.9Å; C229-I246 HydrophobicContact CB-CD1 4.07Å; A243-I246 PolarHBondContact O-N 3.34Å; A243-I246 VanDerWaalsContact O-N 3.1Å; I246-Y248 PolarHBondContact O-N 3.36Å; I246-F249 PolarHBondContact O-N 3.48Å; I246-F249 VanDerWaalsContact O-N 3.1Å; I246-T250 HydrophobicContact CG2-CG2 4.24Å; I246-T250 WeakPolarHBondContact O-CG2 3.31Å; I246-T250 PolarHBondContact O-N 3.19Å; I246-T250 PolarHBondContact O-OG1 3.33Å; I246-L260 HydrophobicContact CD1-CD1 3.71Å; I246-L260 HydrophobicContact CG1-CD1 4.42Å
247	R	98.4	Very high	97.9	Very high	39 Å²	39	39.5 Å²	39.5	15%	0.147	21%	0.206	C	C	.	.	H	α-helix	trans	-65.4	-36.6	-176.8	-65.2	173	-166.7	175	1.2	112.9	L98 A99 D240 A243 K244 A245 F249 T250 D251	L98-R247 PolarHBondContact O-NH2 2.78Å; A99-R247 PolarHBondContact O-NE 2.82Å; A99-R247 PolarHBondContact O-NH2 3.17Å; D240-R247 IonicContact OD1-CZ 3.84Å; D240-R247 IonicContact OD1-NH1 2.99Å; D240-R247 PolarHBondContact OD1-NH1 3.07Å; D240-R247 IonicContact OD1-NH2 3.5Å; D240-R247 PolarHBondContact OD1-NH2 3.18Å; A243-R247 WeakPolarHBondContact O-CG 3.4Å; A243-R247 PolarHBondContact O-N 2.79Å; K244-R247 PolarHBondContact O-N 3.45Å; A245-R247 PolarHBondContact O-N 3.49Å; R247-F249 VanDerWaalsContact C-N 3.31Å; R247-F249 PolarHBondContact O-N 3.49Å; R247-T250 WeakPolarHBondContact CA-OG1 3.4Å; R247-T250 PolarHBondContact O-N 3.05Å; R247-T250 PolarHBondContact O-OG1 3.21Å; R247-D251 WeakPolarHBondContact O-CA 3.46Å; R247-D251 VanDerWaalsContact O-CB 3.28Å; R247-D251 WeakPolarHBondContact O-CB 3.46Å; R247-D251 PolarHBondContact O-N 2.92Å
248	Y	98.6	Very high	98	Very high	25 Å²	25	38.8 Å²	38.8	10%	0.098	20%	0.198	C	C	.	.	I	π-helix	trans	-61.3	-41.1	172.5	175.4	-107.6	0	0	0	111.6	F208 K212 E216 K244 A245 I246 E252 L253	F208-Y248 HydrophobicContact CE2-CG 4.34Å; F208-Y248 HydrophobicContact CZ-CD2 4.22Å; F208-Y248 HydrophobicContact CZ-CG 4.35Å; K212-Y248 HydrophobicContact CB-CE1 4.24Å; K212-Y248 HydrophobicContact CG-CE1 4.08Å; K212-Y248 HydrophobicContact CG-CE2 3.99Å; E216-Y248 PolarHBondContact OE1-OH 3.19Å; K244-Y248 WeakPolarHBondContact O-CB 3.4Å; K244-Y248 PolarHBondContact O-N 3.49Å; A245-Y248 PolarHBondContact O-N 3.11Å; I246-Y248 PolarHBondContact O-N 3.36Å; Y248-E252 HydrophobicContact CD2-CB 3.62Å; Y248-E252 HydrophobicContact CD2-CG 3.85Å; Y248-E252 HydrophobicContact CE2-CB 3.9Å; Y248-E252 HydrophobicContact CE2-CG 4.45Å; Y248-E252 HydrophobicContact CG-CB 4.49Å; Y248-E252 WeakPolarHBondContact O-CB 3.47Å; Y248-E252 PolarHBondContact O-N 3.42Å; Y248-L253 HydrophobicContact CD1-CD1 4.03Å; Y248-L253 HydrophobicContact CD1-CG 4.27Å; Y248-L253 HydrophobicContact CE1-CD1 3.37Å; Y248-L253 HydrophobicContact CE1-CD2 4.32Å; Y248-L253 HydrophobicContact CE1-CG 3.69Å; Y248-L253 HydrophobicContact CE2-CD2 4.48Å; Y248-L253 HydrophobicContact CE2-CG 4.23Å; Y248-L253 PolarHBondContact O-N 3.24Å
249	F	98.7	Very high	98.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.18	C	C	.	.	I	π-helix	trans	-69.9	-39.6	177.5	-80	-122.4	0	0	0	112	L194 W211 I214 L218 P225 F227 A245 I246 R247 N254 F255	L194-F249 HydrophobicContact CD1-CE1 3.79Å; L194-F249 HydrophobicContact CD1-CZ 3.97Å; W211-F249 AromaticContact CE3-CE2 3.98Å; W211-F249 HydrophobicContact CE3-CE2 3.98Å; W211-F249 HydrophobicContact CE3-CZ 4.25Å; W211-F249 HydrophobicContact CZ3-CZ 4.46Å; I214-F249 HydrophobicContact CG2-CZ 4.14Å; L218-F249 HydrophobicContact CD2-CE1 3.84Å; P225-F249 HydrophobicContact CB-CD1 3.86Å; P225-F249 HydrophobicContact CB-CE1 4.17Å; P225-F249 HydrophobicContact CG-CD1 4.07Å; F227-F249 HydrophobicContact CE2-CB 3.95Å; F227-F249 AromaticContact CE2-CD1 3.9Å; F227-F249 HydrophobicContact CE2-CD1 3.9Å; F227-F249 HydrophobicContact CE2-CD2 4.46Å; F227-F249 HydrophobicContact CE2-CE1 4.5Å; F227-F249 AromaticContact CE2-CG 3.86Å; F227-F249 HydrophobicContact CE2-CG 3.86Å; F227-F249 HydrophobicContact CZ-CB 4.18Å; F227-F249 AromaticContact CZ-CD1 3.88Å; F227-F249 HydrophobicContact CZ-CD1 3.88Å; F227-F249 AromaticContact CZ-CD2 3.86Å; F227-F249 HydrophobicContact CZ-CD2 3.86Å; F227-F249 HydrophobicContact CZ-CE1 4.16Å; F227-F249 HydrophobicContact CZ-CE2 4.13Å; F227-F249 AromaticContact CZ-CG 3.71Å; F227-F249 HydrophobicContact CZ-CG 3.71Å; F227-F249 HydrophobicContact CZ-CZ 4.26Å; A245-F249 WeakPolarHBondContact O-CD2 3.13Å; A245-F249 PolarHBondContact O-N 2.97Å; I246-F249 PolarHBondContact O-N 3.48Å; I246-F249 VanDerWaalsContact O-N 3.1Å; R247-F249 VanDerWaalsContact C-N 3.31Å; R247-F249 PolarHBondContact O-N 3.49Å; F249-N254 PolarHBondContact O-N 3.16Å; F249-F255 HydrophobicContact CB-CD2 4.1Å; F249-F255 HydrophobicContact CB-CE2 4.38Å; F249-F255 AromaticContact CD1-CD2 3.93Å; F249-F255 HydrophobicContact CD1-CD2 3.93Å; F249-F255 AromaticContact CD1-CE2 3.5Å; F249-F255 HydrophobicContact CD1-CE2 3.5Å; F249-F255 VanDerWaalsContact CD1-CE2 3.5Å; F249-F255 HydrophobicContact CD1-CZ 4.1Å; F249-F255 HydrophobicContact CE1-CE2 4.06Å; F249-F255 HydrophobicContact CE1-CZ 4.31Å; F249-F255 HydrophobicContact CG-CD2 4.33Å; F249-F255 HydrophobicContact CG-CE2 4.12Å; F249-F255 WeakPolarHBondContact O-CD2 3.39Å; F249-F255 PolarHBondContact O-N 3.48Å
250	T	98.1	Very high	98.1	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.006	18%	0.177	C	C	.	.	I	π-helix	trans	-82	-42.5	-175.6	59.5	0	0	0	0	113.7	L100 I246 R247 N254 V258 L281	L100-T250 HydrophobicContact CD2-CG2 3.97Å; I246-T250 HydrophobicContact CG2-CG2 4.24Å; I246-T250 WeakPolarHBondContact O-CG2 3.31Å; I246-T250 PolarHBondContact O-N 3.19Å; I246-T250 PolarHBondContact O-OG1 3.33Å; R247-T250 WeakPolarHBondContact CA-OG1 3.4Å; R247-T250 PolarHBondContact O-N 3.05Å; R247-T250 PolarHBondContact O-OG1 3.21Å; T250-N254 WeakPolarHBondContact O-CA 3.42Å; T250-V258 HydrophobicContact CG2-CG2 4.17Å; T250-L281 HydrophobicContact CG2-CD1 3.41Å; T250-L281 VanDerWaalsContact CG2-CD1 3.41Å
251	D	96.2	Very high	98.2	Very high	61 Å²	61	31.5 Å²	31.5	33%	0.326	16%	0.16	S	C	.	.	I	π-helix	trans	-100.6	-40.3	-167	-54.3	-22.8	0	0	0	111.3	S104 R247	S104-D251 PolarHBondContact OG-OD1 2.76Å; R247-D251 WeakPolarHBondContact O-CA 3.46Å; R247-D251 VanDerWaalsContact O-CB 3.28Å; R247-D251 WeakPolarHBondContact O-CB 3.46Å; R247-D251 PolarHBondContact O-N 2.92Å
252	E	97.2	Very high	98.2	Very high	147 Å²	147	28.8 Å²	28.8	69%	0.687	15%	0.145	S	C	*	.	I	π-helix	trans	-89	-52.9	-178.9	-58.8	-66.4	165.4	0	0	112	Y248 N254	Y248-E252 HydrophobicContact CD2-CB 3.62Å; Y248-E252 HydrophobicContact CD2-CG 3.85Å; Y248-E252 HydrophobicContact CE2-CB 3.9Å; Y248-E252 HydrophobicContact CE2-CG 4.45Å; Y248-E252 HydrophobicContact CG-CB 4.49Å; Y248-E252 WeakPolarHBondContact O-CB 3.47Å; Y248-E252 PolarHBondContact O-N 3.42Å; E252-N254 VanDerWaalsContact C-N 3.3Å
253	L	98.2	Very high	98.3	Very high	5 Å²	5	28.7 Å²	28.7	3%	0.026	15%	0.145	C	C	.	.	S	Bend	trans	-78.1	-18.9	177.8	-68.8	-174.8	0	0	0	112.9	G215 E216 K219 Y248 F255	G215-L253 VanDerWaalsContact CA-CD1 3.45Å; E216-L253 WeakPolarHBondContact OE1-CD2 3.32Å; K219-L253 HydrophobicContact CD-CB 4.19Å; K219-L253 HydrophobicContact CD-CD2 3.97Å; K219-L253 WeakPolarHBondContact CE-O 3.47Å; K219-L253 PolarHBondContact NZ-O 3.26Å; Y248-L253 HydrophobicContact CD1-CD1 4.03Å; Y248-L253 HydrophobicContact CD1-CG 4.27Å; Y248-L253 HydrophobicContact CE1-CD1 3.37Å; Y248-L253 HydrophobicContact CE1-CD2 4.32Å; Y248-L253 HydrophobicContact CE1-CG 3.69Å; Y248-L253 HydrophobicContact CE2-CD2 4.48Å; Y248-L253 HydrophobicContact CE2-CG 4.23Å; Y248-L253 PolarHBondContact O-N 3.24Å; L253-F255 VanDerWaalsContact C-N 3.33Å; L253-F255 HydrophobicContact CB-CD2 3.83Å; L253-F255 HydrophobicContact CB-CE2 3.82Å; L253-F255 HydrophobicContact CD1-CD2 4.47Å; L253-F255 HydrophobicContact CD1-CE2 3.68Å; L253-F255 HydrophobicContact CG-CE2 4.42Å; L253-F255 PolarHBondContact O-N 3.45Å
254	N	97	Very high	98.3	Very high	95 Å²	95	28.8 Å²	28.8	51%	0.508	15%	0.145	S	C	.	.			trans	50.5	48.1	177.1	-167.4	31.9	0	0	0	113.3	R106 F249 T250 E252	R106-N254 PolarHBondContact NH2-OD1 2.98Å; F249-N254 PolarHBondContact O-N 3.16Å; T250-N254 WeakPolarHBondContact O-CA 3.42Å; E252-N254 VanDerWaalsContact C-N 3.3Å
255	F	98.5	Very high	98.3	Very high	9 Å²	9	24 Å²	24	4%	0.039	13%	0.125	C	C	.	.			trans	-54.6	131.3	175	-86.4	-94.6	0	0	0	110.6	R106 L218 K219 L223 P225 F249 L253 T257 V258	R106-F255 PolarHBondContact NH2-O 3.39Å; L218-F255 HydrophobicContact CB-CE1 4.05Å; L218-F255 HydrophobicContact CB-CZ 3.65Å; K219-F255 HydrophobicContact CB-CE1 4.23Å; K219-F255 HydrophobicContact CB-CE2 4.2Å; K219-F255 HydrophobicContact CB-CZ 3.72Å; L223-F255 WeakPolarHBondContact O-CE1 3.48Å; P225-F255 HydrophobicContact CG-CB 4.39Å; P225-F255 HydrophobicContact CG-CD1 3.92Å; P225-F255 HydrophobicContact CG-CD2 4.46Å; P225-F255 HydrophobicContact CG-CE1 4.29Å; P225-F255 HydrophobicContact CG-CG 4.01Å; F249-F255 HydrophobicContact CB-CD2 4.1Å; F249-F255 HydrophobicContact CB-CE2 4.38Å; F249-F255 AromaticContact CD1-CD2 3.93Å; F249-F255 HydrophobicContact CD1-CD2 3.93Å; F249-F255 AromaticContact CD1-CE2 3.5Å; F249-F255 HydrophobicContact CD1-CE2 3.5Å; F249-F255 VanDerWaalsContact CD1-CE2 3.5Å; F249-F255 HydrophobicContact CD1-CZ 4.1Å; F249-F255 HydrophobicContact CE1-CE2 4.06Å; F249-F255 HydrophobicContact CE1-CZ 4.31Å; F249-F255 HydrophobicContact CG-CD2 4.33Å; F249-F255 HydrophobicContact CG-CE2 4.12Å; F249-F255 WeakPolarHBondContact O-CD2 3.39Å; F249-F255 PolarHBondContact O-N 3.48Å; L253-F255 VanDerWaalsContact C-N 3.33Å; L253-F255 HydrophobicContact CB-CD2 3.83Å; L253-F255 HydrophobicContact CB-CE2 3.82Å; L253-F255 HydrophobicContact CD1-CD2 4.47Å; L253-F255 HydrophobicContact CD1-CE2 3.68Å; L253-F255 HydrophobicContact CG-CE2 4.42Å; L253-F255 PolarHBondContact O-N 3.45Å; F255-T257 VanDerWaalsContact C-N 3.26Å; F255-T257 PolarHBondContact O-N 3.38Å; F255-V258 HydrophobicContact CB-CG2 3.71Å
256	P	97.6	Very high	98.2	Very high	68 Å²	68	25.8 Å²	25.8	44%	0.442	13%	0.131	S	C	.	.	S	Bend	trans	-62	-38.1	-177.6	23.5	-32.7	0	0	0	111.9	R106 C282 S283	R106-P256 PolarHBondContact NH1-O 2.68Å; P256-C282 CarbonylContact O-C 3.51Å; P256-S283 PolarHBondContact O-N 3.43Å
257	T	98.6	Very high	98.1	Very high	37 Å²	37	25.9 Å²	25.9	23%	0.227	13%	0.132	C	C	.	.			trans	-128.4	131.7	-179.5	-55.3	0	0	0	0	110.7	I224 F255 L259 L280 L281	I224-T257 HydrophobicContact CG2-CG2 4.09Å; F255-T257 VanDerWaalsContact C-N 3.26Å; F255-T257 PolarHBondContact O-N 3.38Å; T257-L259 HydrophobicContact CG2-CD1 4.28Å; T257-L280 HydrophobicContact CG2-CD1 3.79Å; T257-L281 WeakPolarHBondContact CA-O 3.3Å
258	V	98.9	Very high	98.1	Very high	1 Å²	1	24 Å²	24	1%	0.006	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	133.2	173.2	-177.3	0	0	0	0	109	P225 F227 T250 F255 L281	P225-V258 HydrophobicContact CG-CB 4.31Å; P225-V258 HydrophobicContact CG-CG1 4.12Å; P225-V258 HydrophobicContact CG-CG2 3.87Å; F227-V258 HydrophobicContact CD2-CG1 3.92Å; F227-V258 HydrophobicContact CE2-CG1 4.34Å; T250-V258 HydrophobicContact CG2-CG2 4.17Å; F255-V258 HydrophobicContact CB-CG2 3.71Å; V258-L281 HydrophobicContact CB-CB 4.14Å; V258-L281 HydrophobicContact CB-CD1 4Å; V258-L281 HydrophobicContact CB-CG 4.29Å; V258-L281 HydrophobicContact CG1-CD1 4.49Å; V258-L281 HydrophobicContact CG2-CD1 4.44Å; V258-L281 PolarHBondContact N-O 3.47Å; V258-L281 PolarHBondContact O-N 3.12Å
259	L	98.9	Very high	98	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	134.1	170.4	-70.3	86.3	0	0	0	108.6	I131 F191 I224 P225 F226 F227 T257 F278 L280	I131-L259 HydrophobicContact CD1-CD2 3.94Å; I131-L259 HydrophobicContact CG1-CD2 4.04Å; F191-L259 HydrophobicContact CD1-CD1 3.94Å; F191-L259 HydrophobicContact CE1-CD1 3.67Å; I224-L259 HydrophobicContact CG2-CD1 3.84Å; P225-L259 PolarHBondContact O-N 3.43Å; F226-L259 CarbonylContact C-O 3.43Å; F226-L259 WeakPolarHBondContact CA-O 3.24Å; F226-L259 HydrophobicContact CB-CB 4.16Å; F226-L259 HydrophobicContact CD1-CB 4.12Å; F226-L259 HydrophobicContact CD2-CB 3.67Å; F226-L259 HydrophobicContact CD2-CD2 3.64Å; F226-L259 HydrophobicContact CD2-CG 4.16Å; F226-L259 HydrophobicContact CE1-CB 4.42Å; F226-L259 HydrophobicContact CE2-CB 4.01Å; F226-L259 HydrophobicContact CE2-CD2 3.53Å; F226-L259 HydrophobicContact CE2-CG 4.38Å; F226-L259 HydrophobicContact CG-CB 3.71Å; F226-L259 HydrophobicContact CZ-CB 4.36Å; F226-L259 HydrophobicContact CZ-CD2 4.35Å; F227-L259 PolarHBondContact N-O 2.83Å; T257-L259 HydrophobicContact CG2-CD1 4.28Å; L259-F278 HydrophobicContact CB-CE2 4.2Å; L259-F278 HydrophobicContact CD2-CE2 3.97Å; L259-F278 HydrophobicContact CD2-CZ 3.95Å; L259-F278 HydrophobicContact CG-CE2 4.29Å; L259-F278 HydrophobicContact CG-CZ 4.36Å; L259-L280 HydrophobicContact CD1-CD1 3.88Å; L259-L280 HydrophobicContact CD2-CD1 4.42Å; L259-L280 HydrophobicContact CG-CD1 3.71Å
260	L	98.9	Very high	98	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	128.5	-179.2	173.2	64.4	0	0	0	110.2	I96 A99 F227 C229 I246 Q262 F278 T279	I96-L260 HydrophobicContact CD1-CD2 3.91Å; A99-L260 HydrophobicContact CB-CD2 3.6Å; F227-L260 HydrophobicContact CB-CD1 3.74Å; C229-L260 HydrophobicContact CB-CD1 3.8Å; I246-L260 HydrophobicContact CD1-CD1 3.71Å; I246-L260 HydrophobicContact CG1-CD1 4.42Å; L260-Q262 HydrophobicContact CD1-CG 4.41Å; L260-Q262 HydrophobicContact CD2-CG 4.34Å; L260-Q262 HydrophobicContact CG-CG 4.2Å; L260-F278 WeakPolarHBondContact O-CA 3.43Å; L260-T279 PolarHBondContact N-O 3.09Å; L260-T279 PolarHBondContact O-N 3.24Å
261	T	98.9	Very high	97.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	133.5	170.5	59.4	0	0	0	0	110	A123 L124 F226 F227 D228 C229 A277 F278	A123-T261 VanDerWaalsContact C-CG2 3.45Å; A123-T261 HydrophobicContact CB-CG2 3.47Å; A123-T261 VanDerWaalsContact CB-CG2 3.47Å; L124-T261 HydrophobicContact CD2-CG2 4.15Å; L124-T261 HydrophobicContact CG-CG2 4.14Å; F226-T261 HydrophobicContact CE1-CG2 3.51Å; F226-T261 HydrophobicContact CZ-CG2 3.96Å; F227-T261 PolarHBondContact O-N 3.16Å; F227-T261 PolarHBondContact O-OG1 3.15Å; D228-T261 WeakPolarHBondContact CA-OG1 3.47Å; D228-T261 PolarHBondContact OD1-OG1 2.92Å; C229-T261 WeakPolarHBondContact CA-O 3.18Å; C229-T261 WeakPolarHBondContact CB-O 3.31Å; C229-T261 PolarHBondContact N-O 3.24Å; T261-A277 WeakPolarHBondContact CA-O 3.46Å; T261-F278 HydrophobicContact CG2-CD2 4.05Å
262	Q	98.8	Very high	98	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.019	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	139.5	176.5	-67.1	172.9	-88.9	0	0	109.9	S95 C229 L260 F264 G276 A277	S95-Q262 PolarHBondContact O-NE2 3.44Å; S95-Q262 PolarHBondContact O-OE1 2.89Å; C229-Q262 HydrophobicContact CB-CG 4.29Å; C229-Q262 WeakPolarHBondContact O-CA 3.42Å; L260-Q262 HydrophobicContact CD1-CG 4.41Å; L260-Q262 HydrophobicContact CD2-CG 4.34Å; L260-Q262 HydrophobicContact CG-CG 4.2Å; Q262-F264 HydrophobicContact CB-CE2 4.26Å; Q262-G276 CarbonylContact O-C 3.19Å; Q262-G276 WeakPolarHBondContact O-CA 3.36Å; Q262-A277 HydrophobicContact CB-CB 4.4Å; Q262-A277 PolarHBondContact N-O 2.76Å; Q262-A277 PolarHBondContact O-N 3.09Å
263	S	98.7	Very high	98	Very high	5 Å²	5	22.9 Å²	22.9	4%	0.035	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	132.2	173.2	-173	0	0	0	0	110.2	S119 C229	S119-S263 PolarHBondContact OG-OG 3.1Å; C229-S263 PolarHBondContact O-N 3.12Å
264	F	98.6	Very high	98	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.009	15%	0.154	C	C	.	.			trans	-98.5	9.7	177.6	-61.4	-89.9	0	0	0	112.7	F91 L98 Q262 K266 N267 M268 L270 V275 M318	F91-F264 HydrophobicContact CE2-CD2 4.07Å; F91-F264 AromaticContact CE2-CE2 3.79Å; F91-F264 HydrophobicContact CE2-CE2 3.79Å; F91-F264 HydrophobicContact CE2-CZ 4.17Å; F91-F264 AromaticContact CZ-CD2 3.8Å; F91-F264 HydrophobicContact CZ-CD2 3.8Å; F91-F264 AromaticContact CZ-CE2 3.43Å; F91-F264 HydrophobicContact CZ-CE2 3.43Å; F91-F264 VanDerWaalsContact CZ-CE2 3.43Å; F91-F264 HydrophobicContact CZ-CZ 4.17Å; L98-F264 HydrophobicContact CD2-CE1 3.82Å; L98-F264 HydrophobicContact CD2-CZ 4.49Å; Q262-F264 HydrophobicContact CB-CE2 4.26Å; F264-K266 PolarHBondContact O-N 2.92Å; F264-N267 VanDerWaalsContact CA-OD1 3.24Å; F264-N267 WeakPolarHBondContact CA-OD1 3.47Å; F264-M268 HydrophobicContact CB-CG 4.48Å; F264-M268 HydrophobicContact CB-SD 4.01Å; F264-M268 HydrophobicContact CD1-CE 3.62Å; F264-M268 HydrophobicContact CD1-CG 4.33Å; F264-M268 HydrophobicContact CD1-SD 3.54Å; F264-M268 VanDerWaalsContact CD1-SD 3.54Å; F264-M268 HydrophobicContact CE1-CE 3.95Å; F264-M268 HydrophobicContact CE1-SD 4.41Å; F264-M268 HydrophobicContact CG-SD 4.13Å; F264-M268 WeakPolarHBondContact O-CB 3.34Å; F264-M268 PolarHBondContact O-N 2.96Å; F264-L270 PolarHBondContact O-N 3.32Å; F264-V275 HydrophobicContact CB-CB 4.04Å; F264-V275 HydrophobicContact CB-CG1 4.08Å; F264-V275 HydrophobicContact CD2-CB 4.46Å; F264-V275 HydrophobicContact CD2-CG1 3.82Å; F264-V275 HydrophobicContact CG-CG1 4.17Å; F264-V275 PolarHBondContact N-O 3.24Å; F264-M318 HydrophobicContact CE1-CE 4.24Å; F264-M318 HydrophobicContact CE1-SD 4.03Å; F264-M318 HydrophobicContact CZ-CE 4.4Å; F264-M318 HydrophobicContact CZ-SD 4.48Å
265	A	97.9	Very high	98.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-39.7	-179	0	0	0	0	0	112.4	G269 L270 Y271	A265-G269 CarbonylContact O-C 3.57Å; A265-G269 VanDerWaalsContact O-CA 3.24Å; A265-G269 WeakPolarHBondContact O-CA 3.48Å; A265-G269 PolarHBondContact O-N 2.86Å; A265-L270 PolarHBondContact O-N 2.77Å; A265-Y271 HydrophobicContact CB-CD1 3.94Å; A265-Y271 HydrophobicContact CB-CE1 4.45Å; A265-Y271 HydrophobicContact CB-CG 4.41Å; A265-Y271 WeakPolarHBondContact O-CD1 3.34Å; A265-Y271 WeakPolarHBondContact O-CD2 3.49Å; A265-Y271 WeakPolarHBondContact O-CE1 3.47Å; A265-Y271 VanDerWaalsContact O-CE2 3.28Å; A265-Y271 WeakPolarHBondContact O-CE2 3.32Å; A265-Y271 VanDerWaalsContact O-CZ 3.22Å
266	K	96.4	Very high	98.1	Very high	39 Å²	39	21.8 Å²	21.8	17%	0.17	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-45.4	-172.6	-77.7	73.9	172.7	-178	0	112.7	Y231 F234 F264 Y271	Y231-K266 HydrophobicContact CD1-CB 4.09Å; Y231-K266 HydrophobicContact CD1-CG 3.87Å; Y231-K266 HydrophobicContact CE1-CB 4.41Å; Y231-K266 HydrophobicContact CE1-CD 4.15Å; Y231-K266 HydrophobicContact CE1-CG 3.68Å; F234-K266 HydrophobicContact CD1-CB 3.84Å; F234-K266 HydrophobicContact CD1-CG 4.41Å; F234-K266 HydrophobicContact CE1-CB 4.37Å; F264-K266 PolarHBondContact O-N 2.92Å; K266-Y271 HydrophobicContact CD-CD1 4.49Å; K266-Y271 HydrophobicContact CD-CE1 3.85Å; K266-Y271 HydrophobicContact CG-CE1 3.9Å
267	N	97.3	Very high	98.1	Very high	3 Å²	3	18.5 Å²	18.5	2%	0.016	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-23.4	-177.6	63.9	3.7	0	0	0	113.4	Q232 F264 W327 L331	Q232-N267 WeakPolarHBondContact O-CB 3.24Å; Q232-N267 PolarHBondContact O-ND2 3.22Å; F264-N267 VanDerWaalsContact CA-OD1 3.24Å; F264-N267 WeakPolarHBondContact CA-OD1 3.47Å; N267-W327 HydrophobicContact CB-CZ2 4.3Å; N267-W327 PolarHBondContact O-NE1 2.82Å; N267-L331 HydrophobicContact CB-CD1 3.88Å; N267-L331 HydrophobicContact CB-CD2 4.27Å
268	M	98.2	Very high	98.2	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	-114.3	2.9	175.3	-63.4	177.6	175.4	0	0	113	V66 F264 L270 A314 L317 M318 W327	V66-M268 WeakPolarHBondContact CG2-O 3.47Å; F264-M268 HydrophobicContact CB-CG 4.48Å; F264-M268 HydrophobicContact CB-SD 4.01Å; F264-M268 HydrophobicContact CD1-CE 3.62Å; F264-M268 HydrophobicContact CD1-CG 4.33Å; F264-M268 HydrophobicContact CD1-SD 3.54Å; F264-M268 VanDerWaalsContact CD1-SD 3.54Å; F264-M268 HydrophobicContact CE1-CE 3.95Å; F264-M268 HydrophobicContact CE1-SD 4.41Å; F264-M268 HydrophobicContact CG-SD 4.13Å; F264-M268 WeakPolarHBondContact O-CB 3.34Å; F264-M268 PolarHBondContact O-N 2.96Å; M268-L270 HydrophobicContact CB-CB 4.49Å; M268-L270 HydrophobicContact CB-CD1 3.94Å; M268-L270 HydrophobicContact CB-CG 3.8Å; M268-L270 PolarHBondContact O-N 2.83Å; M268-L270 VanDerWaalsContact O-N 3.11Å; M268-L270 HydrophobicContact SD-CD1 4.22Å; M268-A314 HydrophobicContact CE-CB 4.3Å; M268-A314 HydrophobicContact SD-CB 3.6Å; M268-L317 HydrophobicContact CB-CD1 4.36Å; M268-L317 HydrophobicContact CE-CB 4.38Å; M268-L317 HydrophobicContact CE-CD1 4.4Å; M268-L317 HydrophobicContact CG-CD1 4.06Å; M268-L317 HydrophobicContact SD-CD1 3.9Å; M268-M318 HydrophobicContact CE-CE 4.49Å; M268-M318 HydrophobicContact CE-CG 3.74Å; M268-M318 HydrophobicContact CE-SD 4.09Å; M268-W327 HydrophobicContact CE-CD2 4.27Å; M268-W327 HydrophobicContact CE-CE3 4.47Å; M268-W327 HydrophobicContact CE-CH2 3.93Å; M268-W327 HydrophobicContact CE-CZ2 3.7Å; M268-W327 HydrophobicContact CE-CZ3 4.31Å; M268-W327 HydrophobicContact CG-CZ2 4.01Å
269	G	97.2	Very high	98.2	Very high	20 Å²	20	16.7 Å²	16.7	21%	0.206	10%	0.097	C	C	.	.			trans	64.4	11.7	-175.6	0	0	0	0	0	114.8	A265 Y271	A265-G269 CarbonylContact O-C 3.57Å; A265-G269 VanDerWaalsContact O-CA 3.24Å; A265-G269 WeakPolarHBondContact O-CA 3.48Å; A265-G269 PolarHBondContact O-N 2.86Å; G269-Y271 VanDerWaalsContact O-CD2 3.25Å; G269-Y271 WeakPolarHBondContact O-CD2 3.16Å; G269-Y271 PolarHBondContact O-N 3.13Å
270	L	98.1	Very high	98.2	Very high	7 Å²	7	16.9 Å²	16.9	4%	0.037	10%	0.097	C	C	.	.			trans	-83.7	48.4	-176	-61.8	-178.3	0	0	0	111.9	V66 F264 A265 M268 E273 V275 I313 A314	V66-L270 HydrophobicContact CG1-CD2 3.91Å; V66-L270 HydrophobicContact CG2-CD2 4.17Å; F264-L270 PolarHBondContact O-N 3.32Å; A265-L270 PolarHBondContact O-N 2.77Å; M268-L270 HydrophobicContact CB-CB 4.49Å; M268-L270 HydrophobicContact CB-CD1 3.94Å; M268-L270 HydrophobicContact CB-CG 3.8Å; M268-L270 PolarHBondContact O-N 2.83Å; M268-L270 VanDerWaalsContact O-N 3.11Å; M268-L270 HydrophobicContact SD-CD1 4.22Å; L270-E273 HydrophobicContact CB-CB 4.07Å; L270-E273 HydrophobicContact CB-CG 4.34Å; L270-E273 HydrophobicContact CD2-CG 4.11Å; L270-E273 PolarHBondContact O-N 3.46Å; L270-V275 HydrophobicContact CB-CG2 4.37Å; L270-V275 HydrophobicContact CD1-CG2 4.11Å; L270-I313 HydrophobicContact CD1-CB 4.39Å; L270-I313 HydrophobicContact CD1-CG2 4.13Å; L270-I313 HydrophobicContact CD2-CG2 4.19Å; L270-A314 HydrophobicContact CD1-CB 4.29Å
271	Y	96.4	Very high	98.2	Very high	49 Å²	49	16.8 Å²	16.8	19%	0.192	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-49.4	-174	-63.5	-87.6	0	0	0	112.5	A52 Y53 A265 K266 G269 R274	A52-Y271 HydrophobicContact CB-CD1 3.99Å; A52-Y271 HydrophobicContact CB-CD2 4.29Å; A52-Y271 HydrophobicContact CB-CE1 3.79Å; A52-Y271 HydrophobicContact CB-CE2 4.1Å; A52-Y271 HydrophobicContact CB-CG 4.26Å; Y53-Y271 WeakPolarHBondContact CB-OH 3.42Å; Y53-Y271 PolarHBondContact N-OH 2.75Å; A265-Y271 HydrophobicContact CB-CD1 3.94Å; A265-Y271 HydrophobicContact CB-CE1 4.45Å; A265-Y271 HydrophobicContact CB-CG 4.41Å; A265-Y271 WeakPolarHBondContact O-CD1 3.34Å; A265-Y271 WeakPolarHBondContact O-CD2 3.49Å; A265-Y271 WeakPolarHBondContact O-CE1 3.47Å; A265-Y271 VanDerWaalsContact O-CE2 3.28Å; A265-Y271 WeakPolarHBondContact O-CE2 3.32Å; A265-Y271 VanDerWaalsContact O-CZ 3.22Å; K266-Y271 HydrophobicContact CD-CD1 4.49Å; K266-Y271 HydrophobicContact CD-CE1 3.85Å; K266-Y271 HydrophobicContact CG-CE1 3.9Å; G269-Y271 VanDerWaalsContact O-CD2 3.25Å; G269-Y271 WeakPolarHBondContact O-CD2 3.16Å; G269-Y271 PolarHBondContact O-N 3.13Å; Y271-R274 VanDerWaalsContact O-CD 3.32Å; Y271-R274 WeakPolarHBondContact O-CD 3.33Å; Y271-R274 PolarHBondContact O-NH1 2.89Å
272	G	96.5	Very high	98.1	Very high	67 Å²	67	16.8 Å²	16.8	69%	0.691	10%	0.097	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-23.4	-177.5	0	0	0	0	0	114.2	R274	G272-R274 WeakPolarHBondContact O-CD 3.44Å; G272-R274 WeakPolarHBondContact O-CG 3.47Å; G272-R274 PolarHBondContact O-N 3.04Å
273	E	97.9	Very high	98	Very high	68 Å²	68	20.3 Å²	20.3	32%	0.318	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-13.3	179.4	-66	-57.9	129.7	0	0	113.6	L270 V275 H309 G310	L270-E273 HydrophobicContact CB-CB 4.07Å; L270-E273 HydrophobicContact CB-CG 4.34Å; L270-E273 HydrophobicContact CD2-CG 4.11Å; L270-E273 PolarHBondContact O-N 3.46Å; E273-V275 VanDerWaalsContact C-N 3.33Å; E273-V275 HydrophobicContact CB-CG2 3.82Å; E273-V275 PolarHBondContact O-N 3.4Å; E273-H309 IonicContact OE2-CD2 3.65Å; E273-G310 PolarHBondContact OE2-N 3.43Å
274	R	98.1	Very high	98	Very high	83 Å²	83	22 Å²	22	31%	0.313	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	44.5	175.7	-43.2	-50.3	-61.6	121.8	5.1	113.5	I118 S119 Y271 G272	I118-R274 CarbonylContact C-O 3.49Å; I118-R274 WeakPolarHBondContact CA-O 3.45Å; I118-R274 HydrophobicContact CG2-CB 3.58Å; I118-R274 HydrophobicContact CG2-CG 4.12Å; S119-R274 VanDerWaalsContact CB-CZ 3.41Å; S119-R274 PolarHBondContact N-O 3.02Å; S119-R274 PolarHBondContact OG-NH1 3.23Å; S119-R274 PolarHBondContact OG-NH2 3.29Å; Y271-R274 VanDerWaalsContact O-CD 3.32Å; Y271-R274 WeakPolarHBondContact O-CD 3.33Å; Y271-R274 PolarHBondContact O-NH1 2.89Å; G272-R274 WeakPolarHBondContact O-CD 3.44Å; G272-R274 WeakPolarHBondContact O-CG 3.47Å; G272-R274 PolarHBondContact O-N 3.04Å
275	V	98.8	Very high	98	Very high	2 Å²	2	25 Å²	25	1%	0.012	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	126.8	-180	-172	0	0	0	0	110.6	F91 S119 F264 L270 E273 G310 A311 A314	F91-V275 HydrophobicContact CD2-CG1 4.49Å; F91-V275 HydrophobicContact CE2-CG1 3.48Å; F91-V275 VanDerWaalsContact CE2-CG1 3.48Å; F91-V275 HydrophobicContact CZ-CG1 3.49Å; F91-V275 VanDerWaalsContact CZ-CG1 3.49Å; S119-V275 WeakPolarHBondContact CA-O 3.37Å; F264-V275 HydrophobicContact CB-CB 4.04Å; F264-V275 HydrophobicContact CB-CG1 4.08Å; F264-V275 HydrophobicContact CD2-CB 4.46Å; F264-V275 HydrophobicContact CD2-CG1 3.82Å; F264-V275 HydrophobicContact CG-CG1 4.17Å; F264-V275 PolarHBondContact N-O 3.24Å; L270-V275 HydrophobicContact CB-CG2 4.37Å; L270-V275 HydrophobicContact CD1-CG2 4.11Å; E273-V275 VanDerWaalsContact C-N 3.33Å; E273-V275 HydrophobicContact CB-CG2 3.82Å; E273-V275 PolarHBondContact O-N 3.4Å; V275-G310 VanDerWaalsContact CG2-CA 3.47Å; V275-A311 HydrophobicContact CG1-CB 4.49Å; V275-A314 HydrophobicContact CG1-CB 4.02Å
276	G	98.8	Very high	98	Very high	0 Å²	0	29 Å²	29	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	170.4	178.3	0	0	0	0	0	112.8	F91 Q116 T117 Q262	F91-G276 WeakPolarHBondContact CE1-O 3.4Å; Q116-G276 WeakPolarHBondContact CA-O 3.33Å; T117-G276 PolarHBondContact N-O 3.18Å; T117-G276 PolarHBondContact O-N 2.53Å; Q262-G276 CarbonylContact O-C 3.19Å; Q262-G276 WeakPolarHBondContact O-CA 3.36Å
277	A	98.9	Very high	98.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	147	175.6	0	0	0	0	0	111.2	F91 S95 T115 T117 A123 T261 Q262	F91-A277 HydrophobicContact CE1-CB 4.2Å; S95-A277 WeakPolarHBondContact OG-CB 3.45Å; T115-A277 CarbonylContact O-C 3.52Å; T115-A277 WeakPolarHBondContact O-CA 3.27Å; T117-A277 PolarHBondContact OG1-N 2.96Å; A123-A277 VanDerWaalsContact CB-O 3.3Å; A123-A277 WeakPolarHBondContact CB-O 3.46Å; T261-A277 WeakPolarHBondContact CA-O 3.46Å; Q262-A277 HydrophobicContact CB-CB 4.4Å; Q262-A277 PolarHBondContact N-O 2.76Å; Q262-A277 PolarHBondContact O-N 3.09Å
278	F	98.9	Very high	98.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	130.5	166.1	171.4	-113	0	0	0	108.6	T114 T115 T117 A123 V126 L259 L260 T261 L280 I295	T114-F278 CarbonylContact C-O 3.5Å; T114-F278 WeakPolarHBondContact CA-O 3.45Å; T115-F278 PolarHBondContact N-O 3.35Å; T115-F278 PolarHBondContact O-N 3.25Å; T115-F278 PolarHBondContact OG1-O 2.84Å; T117-F278 HydrophobicContact CG2-CB 3.74Å; A123-F278 HydrophobicContact CB-CB 4.08Å; V126-F278 HydrophobicContact CB-CD1 4.46Å; V126-F278 HydrophobicContact CG1-CD1 3.63Å; V126-F278 HydrophobicContact CG1-CE1 4.11Å; V126-F278 HydrophobicContact CG1-CG 4.19Å; L259-F278 HydrophobicContact CB-CE2 4.2Å; L259-F278 HydrophobicContact CD2-CE2 3.97Å; L259-F278 HydrophobicContact CD2-CZ 3.95Å; L259-F278 HydrophobicContact CG-CE2 4.29Å; L259-F278 HydrophobicContact CG-CZ 4.36Å; L260-F278 WeakPolarHBondContact O-CA 3.43Å; T261-F278 HydrophobicContact CG2-CD2 4.05Å; F278-L280 HydrophobicContact CE1-CB 4.31Å; F278-L280 HydrophobicContact CZ-CB 4.19Å; F278-I295 HydrophobicContact CD1-CD1 4.28Å; F278-I295 HydrophobicContact CD1-CG2 4.36Å; F278-I295 HydrophobicContact CE1-CD1 3.73Å; F278-I295 HydrophobicContact CE1-CG1 4.17Å
279	T	99	Very high	98.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	129.2	173.1	-61.2	0	0	0	0	110.1	I96 N112 A113 T114 L260 L281	I96-T279 HydrophobicContact CD1-CG2 3.68Å; I96-T279 HydrophobicContact CG1-CG2 4.14Å; N112-T279 HydrophobicContact CB-CG2 3.96Å; A113-T279 WeakPolarHBondContact O-CA 3.47Å; T114-T279 WeakPolarHBondContact CB-OG1 3.29Å; T114-T279 VanDerWaalsContact CG2-OG1 3.26Å; T114-T279 WeakPolarHBondContact CG2-OG1 3.41Å; T114-T279 VanDerWaalsContact OG1-CG2 3.3Å; T114-T279 WeakPolarHBondContact OG1-CG2 3.41Å; T114-T279 PolarHBondContact OG1-OG1 2.87Å; L260-T279 PolarHBondContact N-O 3.09Å; L260-T279 PolarHBondContact O-N 3.24Å; T279-L281 HydrophobicContact CG2-CD2 3.55Å; T279-L281 HydrophobicContact CG2-CG 4.22Å
280	L	98.9	Very high	98.3	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.021	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	117.8	161.6	-179.3	70.5	0	0	0	108.4	N112 A113 F130 T257 L259 F278 C291 I295	N112-L280 WeakPolarHBondContact CA-O 3.31Å; A113-L280 HydrophobicContact CB-CB 4.35Å; A113-L280 PolarHBondContact N-O 3.15Å; A113-L280 PolarHBondContact O-N 3.3Å; F130-L280 HydrophobicContact CD1-CD2 4.33Å; F130-L280 HydrophobicContact CE1-CD2 3.56Å; F130-L280 HydrophobicContact CE2-CD2 4.37Å; F130-L280 HydrophobicContact CZ-CD2 3.59Å; T257-L280 HydrophobicContact CG2-CD1 3.79Å; L259-L280 HydrophobicContact CD1-CD1 3.88Å; L259-L280 HydrophobicContact CD2-CD1 4.42Å; L259-L280 HydrophobicContact CG-CD1 3.71Å; F278-L280 HydrophobicContact CE1-CB 4.31Å; F278-L280 HydrophobicContact CZ-CB 4.19Å; L280-C291 HydrophobicContact CD2-CB 3.62Å; L280-I295 HydrophobicContact CB-CD1 4.27Å
281	L	98.8	Very high	98.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	129	169.9	-55.7	-177.3	0	0	0	108.4	I96 L100 R106 N112 T250 T257 V258 T279	I96-L281 HydrophobicContact CD1-CD2 4.38Å; L100-L281 HydrophobicContact CD1-CD1 3.83Å; L100-L281 HydrophobicContact CD1-CD2 4Å; R106-L281 HydrophobicContact CB-CD2 4.21Å; R106-L281 HydrophobicContact CG-CD1 4.37Å; N112-L281 HydrophobicContact CB-CD2 3.54Å; T250-L281 HydrophobicContact CG2-CD1 3.41Å; T250-L281 VanDerWaalsContact CG2-CD1 3.41Å; T257-L281 WeakPolarHBondContact CA-O 3.3Å; V258-L281 HydrophobicContact CB-CB 4.14Å; V258-L281 HydrophobicContact CB-CD1 4Å; V258-L281 HydrophobicContact CB-CG 4.29Å; V258-L281 HydrophobicContact CG1-CD1 4.49Å; V258-L281 HydrophobicContact CG2-CD1 4.44Å; V258-L281 PolarHBondContact N-O 3.47Å; V258-L281 PolarHBondContact O-N 3.12Å; T279-L281 HydrophobicContact CG2-CD2 3.55Å; T279-L281 HydrophobicContact CG2-CG 4.22Å
282	C	98.6	Very high	98.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.229	C	C	.	.			trans	-117.9	167.2	-175.2	-62	0	0	0	0	110.2	R106 C111 P256 S284 E287 A288	R106-C282 PolarHBondContact NH1-O 2.93Å; C111-C282 VanDerWaalsContact CB-O 3.31Å; C111-C282 WeakPolarHBondContact CB-O 3.45Å; C111-C282 PolarHBondContact O-N 2.87Å; P256-C282 CarbonylContact O-C 3.51Å; C282-S284 VanDerWaalsContact C-N 3.34Å; C282-E287 HydrophobicContact CB-CB 3.98Å; C282-E287 HydrophobicContact CB-CG 3.84Å; C282-A288 HydrophobicContact CB-CB 4.02Å
283	S	96.9	Very high	98.6	Very high	77 Å²	77	40.9 Å²	40.9	54%	0.538	21%	0.214	S	C	.	.	S	Bend	trans	-75.5	-22.8	-178.9	69	0	0	0	0	113.6	P256 E287	P256-S283 PolarHBondContact O-N 3.43Å; S283-E287 WeakPolarHBondContact CB-OE2 3.45Å; S283-E287 PolarHBondContact N-OE2 3.03Å; S283-E287 PolarHBondContact OG-OE2 3.4Å
284	S	98.2	Very high	98.6	Very high	40 Å²	40	40.9 Å²	40.9	28%	0.28	21%	0.214	S	C	.	.	S	Bend	trans	-145	165.1	-177.9	65	0	0	0	0	112.2	C111 C282 E287 A288	C111-S284 VanDerWaalsContact SG-C 3.59Å; C282-S284 VanDerWaalsContact C-N 3.34Å; S284-E287 VanDerWaalsContact OG-CB 3.32Å; S284-E287 WeakPolarHBondContact OG-CB 3.33Å; S284-E287 PolarHBondContact OG-N 3.46Å; S284-A288 WeakPolarHBondContact O-CB 3.36Å; S284-A288 PolarHBondContact O-N 3.47Å
285	S	98.4	Very high	98.7	Very high	66 Å²	66	36.9 Å²	36.9	46%	0.462	20%	0.2	S	C	.	.	H	α-helix	trans	-64.8	-39.6	174.7	53.2	0	0	0	0	113	R110 A288 E289	R110-S285 WeakPolarHBondContact O-CA 3.45Å; S285-A288 PolarHBondContact O-N 2.9Å; S285-E289 WeakPolarHBondContact O-CB 3.41Å; S285-E289 PolarHBondContact O-N 3.39Å
286	D	98.7	Very high	98.7	Very high	84 Å²	84	40.4 Å²	40.4	45%	0.449	22%	0.215	S	C	.	.	H	α-helix	trans	-65.7	-42.3	178.1	163.9	59.3	0	0	0	111.7	E289 R290	D286-E289 PolarHBondContact O-N 3Å; D286-R290 PolarHBondContact O-N 2.66Å; D286-R290 VanDerWaalsContact O-N 3.08Å; D286-R290 IonicContact OD1-NH1 2.94Å; D286-R290 PolarHBondContact OD1-NH1 3.39Å; D286-R290 IonicContact OD2-CZ 3.54Å; D286-R290 IonicContact OD2-NH1 2.61Å; D286-R290 PolarHBondContact OD2-NH1 3.47Å; D286-R290 IonicContact OD2-NH2 3.74Å
287	E	98.7	Very high	98.7	Very high	44 Å²	44	45.3 Å²	45.3	21%	0.206	24%	0.24	C	C	.	.	H	α-helix	trans	-61.6	-45.5	171.1	-172.5	-170.7	172.4	0	0	111.6	C282 S283 S284 E289 R290 C291	C282-E287 HydrophobicContact CB-CB 3.98Å; C282-E287 HydrophobicContact CB-CG 3.84Å; S283-E287 WeakPolarHBondContact CB-OE2 3.45Å; S283-E287 PolarHBondContact N-OE2 3.03Å; S283-E287 PolarHBondContact OG-OE2 3.4Å; S284-E287 VanDerWaalsContact OG-CB 3.32Å; S284-E287 WeakPolarHBondContact OG-CB 3.33Å; S284-E287 PolarHBondContact OG-N 3.46Å; E287-E289 VanDerWaalsContact C-N 3.33Å; E287-E289 PolarHBondContact O-N 3.34Å; E287-R290 PolarHBondContact O-N 3.16Å; E287-C291 WeakPolarHBondContact O-CB 3.46Å; E287-C291 PolarHBondContact O-N 2.98Å; E287-C291 PolarHBondContact O-SG 2.98Å
288	A	98.8	Very high	98.7	Very high	3 Å²	3	46.3 Å²	46.3	3%	0.025	25%	0.245	C	C	.	.	H	α-helix	trans	-60.3	-40.8	177.9	0	0	0	0	0	112.4	C282 S284 S285 C291 L292	C282-A288 HydrophobicContact CB-CB 4.02Å; S284-A288 WeakPolarHBondContact O-CB 3.36Å; S284-A288 PolarHBondContact O-N 3.47Å; S285-A288 PolarHBondContact O-N 2.9Å; A288-C291 PolarHBondContact O-N 3.28Å; A288-L292 VanDerWaalsContact O-CB 3.25Å; A288-L292 WeakPolarHBondContact O-CB 3.44Å; A288-L292 PolarHBondContact O-N 2.84Å
289	E	98.7	Very high	98.6	Very high	144 Å²	144	46.3 Å²	46.3	67%	0.673	25%	0.245	S	C	*	.	H	α-helix	trans	-63.4	-47	177	-176.6	172.1	-172.4	0	0	111.7	S285 D286 E287 L292 S293	S285-E289 WeakPolarHBondContact O-CB 3.41Å; S285-E289 PolarHBondContact O-N 3.39Å; D286-E289 PolarHBondContact O-N 3Å; E287-E289 VanDerWaalsContact C-N 3.33Å; E287-E289 PolarHBondContact O-N 3.34Å; E289-L292 PolarHBondContact O-N 3.1Å; E289-S293 PolarHBondContact O-N 2.98Å
290	R	98.8	Very high	98.6	Very high	129 Å²	129	52.8 Å²	52.8	49%	0.487	27%	0.269	S	S	.	.	H	α-helix	trans	-59.7	-48.3	174.8	-73	-163	-59.7	-85.8	-2.8	111.5	D286 E287 L292 S293 Q294	D286-R290 PolarHBondContact O-N 2.66Å; D286-R290 VanDerWaalsContact O-N 3.08Å; D286-R290 IonicContact OD1-NH1 2.94Å; D286-R290 PolarHBondContact OD1-NH1 3.39Å; D286-R290 IonicContact OD2-CZ 3.54Å; D286-R290 IonicContact OD2-NH1 2.61Å; D286-R290 PolarHBondContact OD2-NH1 3.47Å; D286-R290 IonicContact OD2-NH2 3.74Å; E287-R290 PolarHBondContact O-N 3.16Å; R290-L292 PolarHBondContact O-N 3.22Å; R290-S293 WeakPolarHBondContact O-CB 3.34Å; R290-S293 PolarHBondContact O-N 3.13Å; R290-S293 PolarHBondContact O-OG 3.2Å; R290-Q294 PolarHBondContact O-N 3.46Å
291	C	98.8	Very high	98.6	Very high	18 Å²	18	57.9 Å²	57.9	12%	0.122	30%	0.303	C	S	.	.	H	α-helix	trans	-62.4	-42.5	178.9	-67.7	0	0	0	0	111.9	A113 F130 L280 E287 A288 S293 Q294 I295	A113-C291 HydrophobicContact CB-CB 4.36Å; F130-C291 HydrophobicContact CE2-CB 4.26Å; F130-C291 HydrophobicContact CZ-CB 4.09Å; L280-C291 HydrophobicContact CD2-CB 3.62Å; E287-C291 WeakPolarHBondContact O-CB 3.46Å; E287-C291 PolarHBondContact O-N 2.98Å; E287-C291 PolarHBondContact O-SG 2.98Å; A288-C291 PolarHBondContact O-N 3.28Å; C291-S293 VanDerWaalsContact C-N 3.28Å; C291-S293 PolarHBondContact O-N 3.02Å; C291-Q294 PolarHBondContact O-N 3.03Å; C291-Q294 VanDerWaalsContact O-N 3.16Å; C291-I295 WeakPolarHBondContact O-CD1 3.37Å; C291-I295 VanDerWaalsContact O-CG1 3.23Å; C291-I295 WeakPolarHBondContact O-CG1 3.37Å; C291-I295 PolarHBondContact O-N 3.16Å
292	L	98.9	Very high	98.5	Very high	41 Å²	41	61 Å²	61	22%	0.215	32%	0.318	C	S	.	.	H	α-helix	trans	-59.6	-39	176.2	-178.7	59.6	0	0	0	111.8	A113 T115 A288 E289 R290 I295 K296	A113-L292 HydrophobicContact CB-CB 3.78Å; A113-L292 HydrophobicContact CB-CD1 4.4Å; T115-L292 HydrophobicContact CG2-CD1 3.58Å; A288-L292 VanDerWaalsContact O-CB 3.25Å; A288-L292 WeakPolarHBondContact O-CB 3.44Å; A288-L292 PolarHBondContact O-N 2.84Å; E289-L292 PolarHBondContact O-N 3.1Å; R290-L292 PolarHBondContact O-N 3.22Å; L292-I295 PolarHBondContact O-N 3.32Å; L292-K296 WeakPolarHBondContact O-CG 3.35Å; L292-K296 PolarHBondContact O-N 3.36Å; L292-K296 VanDerWaalsContact O-N 3.07Å
293	S	98.8	Very high	98.5	Very high	55 Å²	55	63.1 Å²	63.1	39%	0.385	33%	0.326	S	S	.	.	H	α-helix	trans	-61.4	-42.9	175.9	81.1	0	0	0	0	112.1	E289 R290 C291 K296 I297	E289-S293 PolarHBondContact O-N 2.98Å; R290-S293 WeakPolarHBondContact O-CB 3.34Å; R290-S293 PolarHBondContact O-N 3.13Å; R290-S293 PolarHBondContact O-OG 3.2Å; C291-S293 VanDerWaalsContact C-N 3.28Å; C291-S293 PolarHBondContact O-N 3.02Å; S293-K296 WeakPolarHBondContact O-CB 3.44Å; S293-K296 PolarHBondContact O-N 2.92Å; S293-I297 PolarHBondContact O-N 3.33Å
294	Q	98.9	Very high	98.5	Very high	68 Å²	68	61.4 Å²	61.4	32%	0.318	31%	0.314	S	S	.	.	H	α-helix	trans	-72.2	-38.6	178.8	-66.4	-60.7	-17.4	0	0	112.5	F130 F134 R290 C291 K296 I297 I298	F130-Q294 HydrophobicContact CE2-CB 4.3Å; F134-Q294 HydrophobicContact CE1-CG 4.12Å; F134-Q294 HydrophobicContact CE2-CB 3.61Å; F134-Q294 HydrophobicContact CE2-CG 4.09Å; F134-Q294 HydrophobicContact CZ-CB 3.63Å; F134-Q294 HydrophobicContact CZ-CG 3.63Å; F134-Q294 VanDerWaalsContact CZ-OE1 3.27Å; R290-Q294 PolarHBondContact O-N 3.46Å; C291-Q294 PolarHBondContact O-N 3.03Å; C291-Q294 VanDerWaalsContact O-N 3.16Å; Q294-K296 VanDerWaalsContact C-N 3.26Å; Q294-K296 PolarHBondContact O-N 3.47Å; Q294-I297 WeakPolarHBondContact O-CB 3.28Å; Q294-I297 PolarHBondContact O-N 2.95Å; Q294-I297 VanDerWaalsContact O-N 3.08Å; Q294-I298 WeakPolarHBondContact O-CG1 3.12Å; Q294-I298 PolarHBondContact O-N 2.82Å
295	I	98.9	Very high	98.5	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-59.2	-40	173.8	-68.3	161.5	0	0	0	110.3	A113 T115 V126 F130 F278 L280 C291 L292 I297 I298 I299	A113-I295 HydrophobicContact CB-CD1 3.94Å; T115-I295 HydrophobicContact CG2-CG2 3.67Å; V126-I295 HydrophobicContact CG1-CG2 3.87Å; F130-I295 HydrophobicContact CD2-CD1 4.38Å; F130-I295 HydrophobicContact CD2-CG1 3.59Å; F130-I295 HydrophobicContact CE2-CD1 4.44Å; F130-I295 HydrophobicContact CE2-CG1 3.93Å; F130-I295 HydrophobicContact CG-CG1 4.41Å; F278-I295 HydrophobicContact CD1-CD1 4.28Å; F278-I295 HydrophobicContact CD1-CG2 4.36Å; F278-I295 HydrophobicContact CE1-CD1 3.73Å; F278-I295 HydrophobicContact CE1-CG1 4.17Å; L280-I295 HydrophobicContact CB-CD1 4.27Å; C291-I295 WeakPolarHBondContact O-CD1 3.37Å; C291-I295 VanDerWaalsContact O-CG1 3.23Å; C291-I295 WeakPolarHBondContact O-CG1 3.37Å; C291-I295 PolarHBondContact O-N 3.16Å; L292-I295 PolarHBondContact O-N 3.32Å; I295-I297 PolarHBondContact O-N 2.8Å; I295-I298 PolarHBondContact O-N 2.9Å; I295-I299 HydrophobicContact CG2-CD1 3.69Å; I295-I299 HydrophobicContact CG2-CG1 4.3Å; I295-I299 WeakPolarHBondContact O-CB 3.32Å; I295-I299 VanDerWaalsContact O-CG1 3.27Å; I295-I299 WeakPolarHBondContact O-CG1 3.49Å; I295-I299 PolarHBondContact O-N 3.46Å
296	K	98.8	Very high	98.5	Very high	75 Å²	75	57.8 Å²	57.8	33%	0.326	29%	0.287	S	S	.	.	H	α-helix	trans	-62.4	-40.7	174.3	-71.8	168.7	-179	173.8	0	112.2	I85 L292 S293 Q294 I298 I299 R300	I85-K296 HydrophobicContact CB-CB 4.46Å; I85-K296 HydrophobicContact CB-CG 4.38Å; I85-K296 HydrophobicContact CG2-CB 3.88Å; I85-K296 HydrophobicContact CG2-CG 4.11Å; I85-K296 WeakPolarHBondContact CG2-O 3.15Å; L292-K296 WeakPolarHBondContact O-CG 3.35Å; L292-K296 PolarHBondContact O-N 3.36Å; L292-K296 VanDerWaalsContact O-N 3.07Å; S293-K296 WeakPolarHBondContact O-CB 3.44Å; S293-K296 PolarHBondContact O-N 2.92Å; Q294-K296 VanDerWaalsContact C-N 3.26Å; Q294-K296 PolarHBondContact O-N 3.47Å; K296-I298 VanDerWaalsContact C-N 3.32Å; K296-I298 PolarHBondContact O-N 2.87Å; K296-I299 PolarHBondContact O-N 3.37Å; K296-R300 PolarHBondContact O-N 3.35Å
297	I	98.8	Very high	98.5	Very high	103 Å²	103	56.7 Å²	56.7	53%	0.528	28%	0.284	S	S	.	.	H	α-helix	trans	-61.3	-42.7	175.8	-67.8	167.9	0	0	0	110.6	S293 Q294 I295 P301	S293-I297 PolarHBondContact O-N 3.33Å; Q294-I297 WeakPolarHBondContact O-CB 3.28Å; Q294-I297 PolarHBondContact O-N 2.95Å; Q294-I297 VanDerWaalsContact O-N 3.08Å; I295-I297 PolarHBondContact O-N 2.8Å; I297-P301 WeakPolarHBondContact O-CD 3.3Å
298	I	98.8	Very high	98.5	Very high	21 Å²	21	55.8 Å²	55.8	11%	0.108	28%	0.281	C	S	.	.	H	α-helix	trans	-63.7	-43.3	175.7	-71.8	174	0	0	0	111.7	A129 F130 F134 Q294 I295 K296 P301 M302	A129-I298 HydrophobicContact CB-CD1 4.47Å; A129-I298 HydrophobicContact CB-CG2 3.69Å; F130-I298 HydrophobicContact CB-CD1 3.99Å; F130-I298 HydrophobicContact CD2-CD1 4.09Å; F134-I298 HydrophobicContact CE2-CD1 3.98Å; Q294-I298 WeakPolarHBondContact O-CG1 3.12Å; Q294-I298 PolarHBondContact O-N 2.82Å; I295-I298 PolarHBondContact O-N 2.9Å; K296-I298 VanDerWaalsContact C-N 3.32Å; K296-I298 PolarHBondContact O-N 2.87Å; I298-P301 VanDerWaalsContact O-CD 3.31Å; I298-P301 WeakPolarHBondContact O-CD 3.43Å; I298-M302 HydrophobicContact CG2-CE 3.28Å; I298-M302 HydrophobicContact CG2-SD 4.03Å; I298-M302 WeakPolarHBondContact O-CG 3.23Å
299	I	98.7	Very high	98.4	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-67.7	-38.7	-177.6	-74.3	171.6	0	0	0	111.9	I85 T115 V126 I295 K296 M302 Y303 S304	I85-I299 HydrophobicContact CG2-CB 3.97Å; I85-I299 HydrophobicContact CG2-CG2 3.7Å; T115-I299 HydrophobicContact CG2-CD1 4Å; V126-I299 HydrophobicContact CG1-CD1 4.4Å; V126-I299 HydrophobicContact CG1-CG1 4.22Å; V126-I299 HydrophobicContact CG2-CD1 4.47Å; V126-I299 HydrophobicContact CG2-CG1 3.88Å; I295-I299 HydrophobicContact CG2-CD1 3.69Å; I295-I299 HydrophobicContact CG2-CG1 4.3Å; I295-I299 WeakPolarHBondContact O-CB 3.32Å; I295-I299 VanDerWaalsContact O-CG1 3.27Å; I295-I299 WeakPolarHBondContact O-CG1 3.49Å; I295-I299 PolarHBondContact O-N 3.46Å; K296-I299 PolarHBondContact O-N 3.37Å; I299-M302 PolarHBondContact O-N 2.88Å; I299-Y303 WeakPolarHBondContact CG1-OH 3.49Å; I299-Y303 HydrophobicContact CG2-CD2 3.94Å; I299-Y303 HydrophobicContact CG2-CE1 4.28Å; I299-Y303 HydrophobicContact CG2-CE2 3.33Å; I299-Y303 PolarHBondContact O-N 3.21Å; I299-Y303 VanDerWaalsContact O-N 3.09Å; I299-S304 PolarHBondContact O-N 2.93Å
300	R	98.6	Very high	98.4	Very high	136 Å²	136	52.4 Å²	52.4	51%	0.513	27%	0.265	S	S	.	.	H	α-helix	trans	-52.1	-48.3	-173.5	-177.3	59.9	176.7	-177.6	-0.1	113.8	I85 K296 S304	I85-R300 HydrophobicContact CD1-CB 4.42Å; I85-R300 HydrophobicContact CD1-CG 4.49Å; K296-R300 PolarHBondContact O-N 3.35Å; R300-S304 PolarHBondContact NH1-OG 3.13Å; R300-S304 WeakPolarHBondContact O-CA 3.39Å; R300-S304 PolarHBondContact O-N 3.41Å
301	P	98.1	Very high	98.4	Very high	111 Å²	111	46.2 Å²	46.2	72%	0.721	24%	0.241	S	C	*	.	H	α-helix	trans	-81.1	-15.6	175.3	32.7	-37.3	0	0	0	114.1	I297 I298	I297-P301 WeakPolarHBondContact O-CD 3.3Å; I298-P301 VanDerWaalsContact O-CD 3.31Å; I298-P301 WeakPolarHBondContact O-CD 3.43Å
302	M	97.6	Very high	98.4	Very high	66 Å²	66	47.5 Å²	47.5	33%	0.325	24%	0.244	S	C	.	.	H	α-helix	trans	-75.4	-46.4	178.3	-73.3	-176.2	-174.7	0	0	112.5	R125 V126 A129 I298 I299	R125-M302 HydrophobicContact CG-SD 4.43Å; V126-M302 HydrophobicContact CG2-SD 3.93Å; A129-M302 HydrophobicContact CB-CE 3.35Å; I298-M302 HydrophobicContact CG2-CE 3.28Å; I298-M302 HydrophobicContact CG2-SD 4.03Å; I298-M302 WeakPolarHBondContact O-CG 3.23Å; I299-M302 PolarHBondContact O-N 2.88Å
303	Y	97.9	Very high	98.4	Very high	44 Å²	44	45.6 Å²	45.6	17%	0.173	23%	0.234	C	C	.	.	H	α-helix	trans	-156	15.5	-178	51.1	-98.6	0	0	0	113.8	Q116 I118 V126 I299 N305 P306	Q116-Y303 PolarHBondContact O-OH 3.01Å; I118-Y303 HydrophobicContact CD1-CD1 3.87Å; I118-Y303 HydrophobicContact CD1-CD2 4.24Å; I118-Y303 HydrophobicContact CD1-CG 3.69Å; I118-Y303 HydrophobicContact CG1-CD1 4.3Å; I118-Y303 HydrophobicContact CG1-CD2 4.39Å; I118-Y303 HydrophobicContact CG1-CG 4.24Å; V126-Y303 HydrophobicContact CG2-CE1 4.14Å; I299-Y303 WeakPolarHBondContact CG1-OH 3.49Å; I299-Y303 HydrophobicContact CG2-CD2 3.94Å; I299-Y303 HydrophobicContact CG2-CE1 4.28Å; I299-Y303 HydrophobicContact CG2-CE2 3.33Å; I299-Y303 PolarHBondContact O-N 3.21Å; I299-Y303 VanDerWaalsContact O-N 3.09Å; Y303-N305 PolarHBondContact O-N 3.03Å; Y303-N305 VanDerWaalsContact O-O 3.12Å; Y303-P306 HydrophobicContact CE2-CB 4.06Å
304	S	97.9	Very high	98.4	Very high	41 Å²	41	43 Å²	43	29%	0.287	22%	0.215	S	C	.	.	S	Bend	trans	64.8	-71.2	-178.9	-178.8	0	0	0	0	114.6	I299 R300	I299-S304 PolarHBondContact O-N 2.93Å; R300-S304 PolarHBondContact NH1-OG 3.13Å; R300-S304 WeakPolarHBondContact O-CA 3.39Å; R300-S304 PolarHBondContact O-N 3.41Å
305	N	97.8	Very high	98.4	Very high	29 Å²	29	40.1 Å²	40.1	16%	0.155	20%	0.202	C	C	.	.	S	Bend	trans	-151.2	151	174.4	59.9	91.7	0	0	0	109	Y82 A83 Y303	Y82-N305 WeakPolarHBondContact CD1-ND2 3.45Å; A83-N305 PolarHBondContact N-OD1 2.98Å; A83-N305 WeakPolarHBondContact O-CB 3.32Å; Y303-N305 PolarHBondContact O-N 3.03Å; Y303-N305 VanDerWaalsContact O-O 3.12Å
306	P	98.3	Very high	98.4	Very high	1 Å²	1	41 Å²	41	1%	0.006	21%	0.206	C	C	.	.			trans	-78.8	158.5	-173.4	32.6	-35.3	0	0	0	112.4	Q116 Y303	Q116-P306 HydrophobicContact CB-CB 4.3Å; Q116-P306 HydrophobicContact CB-CG 3.73Å; Q116-P306 HydrophobicContact CG-CB 3.81Å; Q116-P306 HydrophobicContact CG-CG 3.7Å; Y303-P306 HydrophobicContact CE2-CB 4.06Å
307	P	98.2	Very high	98.3	Very high	62 Å²	62	37.4 Å²	37.4	40%	0.403	19%	0.191	S	C	.	.			trans	-65.8	139.8	-177.2	26.8	-35.1	0	0	0	112.6	Q116	Q116-P307 PolarHBondContact NE2-O 3.33Å
308	I	97.9	Very high	98.3	Very high	25 Å²	25	32.8 Å²	32.8	13%	0.128	17%	0.167	C	C	.	.	H	α-helix	trans	-87.3	-30.7	-171.5	51.2	164.1	0	0	0	115.1	A83 I88 A311 R312	A83-I308 HydrophobicContact CB-CG2 3.7Å; I88-I308 HydrophobicContact CD1-CB 4.36Å; I88-I308 HydrophobicContact CD1-CG2 4.35Å; I88-I308 HydrophobicContact CG1-CG2 4.49Å; I308-A311 PolarHBondContact O-N 3.16Å; I308-R312 VanDerWaalsContact O-CG 3.27Å; I308-R312 WeakPolarHBondContact O-CG 3.29Å; I308-R312 PolarHBondContact O-N 3.26Å
309	H	97.9	Very high	98.3	Very high	73 Å²	73	34 Å²	34	34%	0.338	18%	0.178	S	C	.	.	H	α-helix	trans	-67.9	-59	-166.1	-172.9	53.9	0	0	0	112.5	E273 A311 R312 I313	E273-H309 IonicContact OE2-CD2 3.65Å; H309-A311 VanDerWaalsContact C-N 3.26Å; H309-A311 PolarHBondContact O-N 3.27Å; H309-R312 WeakPolarHBondContact O-CB 3.41Å; H309-R312 PolarHBondContact O-N 2.99Å; H309-I313 PolarHBondContact O-N 2.83Å
310	G	98.4	Very high	98.3	Very high	2 Å²	2	36.1 Å²	36.1	2%	0.021	19%	0.189	C	C	.	.	H	α-helix	trans	-56.3	-37.5	174.8	0	0	0	0	0	114.2	E273 V275 R312 I313 A314	E273-G310 PolarHBondContact OE2-N 3.43Å; V275-G310 VanDerWaalsContact CG2-CA 3.47Å; G310-R312 VanDerWaalsContact C-N 3.33Å; G310-R312 PolarHBondContact O-N 3.39Å; G310-I313 WeakPolarHBondContact O-CB 3.34Å; G310-I313 PolarHBondContact O-N 3.3Å; G310-A314 PolarHBondContact O-N 2.81Å
311	A	98.7	Very high	98.2	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-67.7	-33	177	0	0	0	0	0	112.6	I88 F91 Q116 V275 I308 H309 T315	I88-A311 HydrophobicContact CD1-CB 3.92Å; F91-A311 HydrophobicContact CD1-CB 4.48Å; F91-A311 HydrophobicContact CD2-CB 4.18Å; F91-A311 HydrophobicContact CG-CB 4.12Å; Q116-A311 VanDerWaalsContact CD-CB 3.47Å; Q116-A311 HydrophobicContact CG-CB 4.49Å; V275-A311 HydrophobicContact CG1-CB 4.49Å; I308-A311 PolarHBondContact O-N 3.16Å; H309-A311 VanDerWaalsContact C-N 3.26Å; H309-A311 PolarHBondContact O-N 3.27Å; A311-T315 VanDerWaalsContact O-CB 3.31Å; A311-T315 WeakPolarHBondContact O-CB 3.44Å; A311-T315 PolarHBondContact O-N 3.5Å; A311-T315 PolarHBondContact O-OG1 2.82Å
312	R	98.6	Very high	98.3	Very high	45 Å²	45	34.2 Å²	34.2	17%	0.17	19%	0.188	C	C	.	.	H	α-helix	trans	-66.7	-40.4	170.6	-73.5	173	-179.7	175.2	3.1	111.6	L73 N79 I88 I308 H309 G310 T315 E316	L73-R312 HydrophobicContact CD1-CB 3.89Å; L73-R312 HydrophobicContact CD2-CB 3.96Å; N79-R312 PolarHBondContact O-NH1 3.47Å; N79-R312 PolarHBondContact O-NH2 3.36Å; N79-R312 VanDerWaalsContact O-NH2 3.07Å; I88-R312 HydrophobicContact CD1-CG 3.67Å; I308-R312 VanDerWaalsContact O-CG 3.27Å; I308-R312 WeakPolarHBondContact O-CG 3.29Å; I308-R312 PolarHBondContact O-N 3.26Å; H309-R312 WeakPolarHBondContact O-CB 3.41Å; H309-R312 PolarHBondContact O-N 2.99Å; G310-R312 VanDerWaalsContact C-N 3.33Å; G310-R312 PolarHBondContact O-N 3.39Å; R312-T315 PolarHBondContact O-N 2.57Å; R312-E316 WeakPolarHBondContact O-CB 3.05Å; R312-E316 PolarHBondContact O-N 3.27Å
313	I	98.7	Very high	98.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.1	-52.8	174.1	-63.3	168.5	0	0	0	109.6	V66 A69 E70 L73 L270 H309 G310 T315 E316 L317	V66-I313 HydrophobicContact CG1-CG2 4.1Å; V66-I313 HydrophobicContact CG2-CG2 4.45Å; A69-I313 HydrophobicContact CB-CG2 4.13Å; E70-I313 HydrophobicContact CG-CD1 3.61Å; E70-I313 HydrophobicContact CG-CG1 4.05Å; L73-I313 HydrophobicContact CD1-CB 4.22Å; L73-I313 HydrophobicContact CD1-CG1 3.58Å; L270-I313 HydrophobicContact CD1-CB 4.39Å; L270-I313 HydrophobicContact CD1-CG2 4.13Å; L270-I313 HydrophobicContact CD2-CG2 4.19Å; H309-I313 PolarHBondContact O-N 2.83Å; G310-I313 WeakPolarHBondContact O-CB 3.34Å; G310-I313 PolarHBondContact O-N 3.3Å; I313-T315 VanDerWaalsContact C-N 3.29Å; I313-T315 PolarHBondContact O-N 3.31Å; I313-E316 WeakPolarHBondContact O-CB 3.19Å; I313-E316 PolarHBondContact O-N 2.96Å; I313-E316 VanDerWaalsContact O-N 3.14Å; I313-L317 HydrophobicContact CG2-CD1 4.25Å; I313-L317 WeakPolarHBondContact O-CG 3.14Å; I313-L317 PolarHBondContact O-N 3.34Å
314	A	98.8	Very high	98.3	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.9	-38.9	178.4	0	0	0	0	0	112.6	F91 M268 L270 V275 G310 L317 M318	F91-A314 HydrophobicContact CD2-CB 4.04Å; F91-A314 HydrophobicContact CE2-CB 3.76Å; M268-A314 HydrophobicContact CE-CB 4.3Å; M268-A314 HydrophobicContact SD-CB 3.6Å; L270-A314 HydrophobicContact CD1-CB 4.29Å; V275-A314 HydrophobicContact CG1-CB 4.02Å; G310-A314 PolarHBondContact O-N 2.81Å; A314-L317 PolarHBondContact O-N 2.98Å; A314-M318 HydrophobicContact CB-CE 4.22Å; A314-M318 WeakPolarHBondContact O-CB 3.49Å; A314-M318 VanDerWaalsContact O-CE 3.29Å; A314-M318 WeakPolarHBondContact O-CE 3.46Å; A314-M318 WeakPolarHBondContact O-CG 3.04Å; A314-M318 PolarHBondContact O-N 2.72Å
315	T	98.7	Very high	98.3	Very high	8 Å²	8	35.6 Å²	35.6	5%	0.049	19%	0.188	C	C	.	.	H	α-helix	trans	-62.2	-46.3	174.4	-59.4	0	0	0	0	111.2	Q90 F91 L94 A311 R312 I313 L317 M318 S319	Q90-T315 HydrophobicContact CB-CG2 4.15Å; Q90-T315 HydrophobicContact CG-CG2 3.83Å; F91-T315 WeakPolarHBondContact CB-OG1 3.47Å; L94-T315 HydrophobicContact CD1-CG2 3.93Å; A311-T315 VanDerWaalsContact O-CB 3.31Å; A311-T315 WeakPolarHBondContact O-CB 3.44Å; A311-T315 PolarHBondContact O-N 3.5Å; A311-T315 PolarHBondContact O-OG1 2.82Å; R312-T315 PolarHBondContact O-N 2.57Å; I313-T315 VanDerWaalsContact C-N 3.29Å; I313-T315 PolarHBondContact O-N 3.31Å; T315-L317 PolarHBondContact O-N 2.73Å; T315-M318 PolarHBondContact O-N 2.67Å; T315-S319 WeakPolarHBondContact O-CB 3.09Å; T315-S319 PolarHBondContact O-N 2.74Å; T315-S319 PolarHBondContact O-OG 3.32Å
316	E	98.5	Very high	98.4	Very high	18 Å²	18	38.2 Å²	38.2	8%	0.084	20%	0.198	C	C	.	.	H	α-helix	trans	-59.6	-48.2	178.5	-162.9	70.1	-155.6	0	0	110.8	A69 L72 K76 R312 I313 M318 S319 N320 L323	A69-E316 HydrophobicContact CB-CB 4.06Å; A69-E316 HydrophobicContact CB-CG 4.12Å; L72-E316 HydrophobicContact CD1-CG 4.45Å; K76-E316 IonicContact NZ-OE1 3.19Å; K76-E316 PolarHBondContact NZ-OE1 3.02Å; K76-E316 IonicContact NZ-OE2 3.87Å; K76-E316 PolarHBondContact NZ-OE2 3.37Å; R312-E316 WeakPolarHBondContact O-CB 3.05Å; R312-E316 PolarHBondContact O-N 3.27Å; I313-E316 WeakPolarHBondContact O-CB 3.19Å; I313-E316 PolarHBondContact O-N 2.96Å; I313-E316 VanDerWaalsContact O-N 3.14Å; E316-M318 VanDerWaalsContact C-N 3.3Å; E316-M318 PolarHBondContact O-N 2.92Å; E316-S319 PolarHBondContact O-N 3.34Å; E316-N320 WeakPolarHBondContact O-CB 3.23Å; E316-N320 PolarHBondContact O-N 3.47Å; E316-L323 HydrophobicContact CB-CD1 4.5Å; E316-L323 HydrophobicContact CG-CD1 3.6Å
317	L	98.6	Very high	98.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-58.7	-38.3	176.7	-67.4	177.5	0	0	0	113.2	S65 V66 A69 M268 I313 A314 T315 L323 R324 W327	S65-L317 WeakPolarHBondContact O-CD2 3.4Å; V66-L317 HydrophobicContact CG2-CD1 3.85Å; A69-L317 HydrophobicContact CB-CD2 3.87Å; A69-L317 HydrophobicContact CB-CG 4.15Å; M268-L317 HydrophobicContact CB-CD1 4.36Å; M268-L317 HydrophobicContact CE-CB 4.38Å; M268-L317 HydrophobicContact CE-CD1 4.4Å; M268-L317 HydrophobicContact CG-CD1 4.06Å; M268-L317 HydrophobicContact SD-CD1 3.9Å; I313-L317 HydrophobicContact CG2-CD1 4.25Å; I313-L317 WeakPolarHBondContact O-CG 3.14Å; I313-L317 PolarHBondContact O-N 3.34Å; A314-L317 PolarHBondContact O-N 2.98Å; T315-L317 PolarHBondContact O-N 2.73Å; L317-L323 HydrophobicContact CD2-CB 4.42Å; L317-R324 WeakPolarHBondContact O-CA 3.33Å; L317-R324 VanDerWaalsContact O-CB 3.28Å; L317-R324 WeakPolarHBondContact O-CB 3.32Å; L317-R324 PolarHBondContact O-N 3.25Å; L317-W327 HydrophobicContact CD2-CB 4.32Å
318	M	98.4	Very high	98.4	Very high	7 Å²	7	37.3 Å²	37.3	3%	0.034	19%	0.189	C	C	.	.	H	α-helix	trans	-84.7	-30.6	-176.6	-71.7	-174.2	-70.3	0	0	113.4	F91 L94 L98 F264 M268 A314 T315 E316 R324	F91-M318 HydrophobicContact CD2-CE 3.97Å; F91-M318 HydrophobicContact CE2-CE 4.09Å; L94-M318 HydrophobicContact CB-CB 4.02Å; L94-M318 HydrophobicContact CB-CE 3.73Å; L94-M318 HydrophobicContact CB-SD 3.95Å; L94-M318 HydrophobicContact CD1-CB 3.93Å; L94-M318 HydrophobicContact CD2-CB 4.31Å; L94-M318 HydrophobicContact CG-CB 4.32Å; L98-M318 HydrophobicContact CD2-SD 4.42Å; F264-M318 HydrophobicContact CE1-CE 4.24Å; F264-M318 HydrophobicContact CE1-SD 4.03Å; F264-M318 HydrophobicContact CZ-CE 4.4Å; F264-M318 HydrophobicContact CZ-SD 4.48Å; M268-M318 HydrophobicContact CE-CE 4.49Å; M268-M318 HydrophobicContact CE-CG 3.74Å; M268-M318 HydrophobicContact CE-SD 4.09Å; A314-M318 HydrophobicContact CB-CE 4.22Å; A314-M318 WeakPolarHBondContact O-CB 3.49Å; A314-M318 VanDerWaalsContact O-CE 3.29Å; A314-M318 WeakPolarHBondContact O-CE 3.46Å; A314-M318 WeakPolarHBondContact O-CG 3.04Å; A314-M318 PolarHBondContact O-N 2.72Å; T315-M318 PolarHBondContact O-N 2.67Å; E316-M318 VanDerWaalsContact C-N 3.3Å; E316-M318 PolarHBondContact O-N 2.92Å; M318-R324 PolarHBondContact O-NH1 3.32Å
319	S	98	Very high	98.4	Very high	47 Å²	47	41 Å²	41	33%	0.329	21%	0.209	S	C	.	.	H	α-helix	trans	-92.1	-31.1	-172.1	69.5	0	0	0	0	114.3	T315 E316 P321	T315-S319 WeakPolarHBondContact O-CB 3.09Å; T315-S319 PolarHBondContact O-N 2.74Å; T315-S319 PolarHBondContact O-OG 3.32Å; E316-S319 PolarHBondContact O-N 3.34Å; S319-P321 WeakPolarHBondContact O-CD 3.32Å
320	N	98.1	Very high	98.4	Very high	43 Å²	43	38.3 Å²	38.3	23%	0.23	20%	0.196	C	C	.	.	S	Bend	trans	-87	116.6	177.8	177.7	-32.5	0	0	0	108.9	E316 D322 L323 R324	E316-N320 WeakPolarHBondContact O-CB 3.23Å; E316-N320 PolarHBondContact O-N 3.47Å; N320-D322 VanDerWaalsContact C-N 3.31Å; N320-D322 PolarHBondContact O-N 3.43Å; N320-D322 PolarHBondContact OD1-N 3.02Å; N320-L323 HydrophobicContact CB-CB 4.06Å; N320-L323 HydrophobicContact CB-CD1 4.15Å; N320-L323 HydrophobicContact CB-CG 4.34Å; N320-L323 PolarHBondContact O-N 3.34Å; N320-L323 PolarHBondContact OD1-N 3.16Å; N320-R324 VanDerWaalsContact O-CB 3.32Å; N320-R324 WeakPolarHBondContact O-CB 3.4Å; N320-R324 PolarHBondContact O-N 2.83Å
321	P	98.1	Very high	98.4	Very high	93 Å²	93	38.3 Å²	38.3	60%	0.604	20%	0.196	S	C	*	.	H	α-helix	trans	-56.1	-40.7	-176.2	-27.4	36.2	0	0	0	114.1	S319 R324 Q325	S319-P321 WeakPolarHBondContact O-CD 3.32Å; P321-R324 WeakPolarHBondContact O-CB 3.49Å; P321-R324 PolarHBondContact O-N 2.72Å; P321-Q325 WeakPolarHBondContact O-CG 3.08Å; P321-Q325 PolarHBondContact O-N 2.78Å
322	D	98.4	Very high	98.3	Very high	115 Å²	115	42.2 Å²	42.2	62%	0.615	21%	0.213	S	C	*	.	H	α-helix	trans	-69.5	-45.2	-178.1	-64.8	-27.8	0	0	0	111.2	N320 R324 Q325 K326	N320-D322 VanDerWaalsContact C-N 3.31Å; N320-D322 PolarHBondContact O-N 3.43Å; N320-D322 PolarHBondContact OD1-N 3.02Å; D322-R324 VanDerWaalsContact C-N 3.3Å; D322-R324 PolarHBondContact O-N 2.66Å; D322-Q325 PolarHBondContact O-N 3.48Å; D322-K326 WeakPolarHBondContact O-CG 3.46Å; D322-K326 PolarHBondContact O-N 2.98Å
323	L	98.3	Very high	98.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-65.4	-35.5	174.5	-77.5	179.7	0	0	0	112.3	E68 A69 L72 E316 L317 N320 Q325 K326 W327	E68-L323 HydrophobicContact CB-CD2 3.8Å; E68-L323 HydrophobicContact CG-CD2 3.72Å; A69-L323 HydrophobicContact CB-CD1 4.06Å; L72-L323 HydrophobicContact CD1-CD1 3.6Å; L72-L323 HydrophobicContact CD1-CG 4.36Å; E316-L323 HydrophobicContact CB-CD1 4.5Å; E316-L323 HydrophobicContact CG-CD1 3.6Å; L317-L323 HydrophobicContact CD2-CB 4.42Å; N320-L323 HydrophobicContact CB-CB 4.06Å; N320-L323 HydrophobicContact CB-CD1 4.15Å; N320-L323 HydrophobicContact CB-CG 4.34Å; N320-L323 PolarHBondContact O-N 3.34Å; N320-L323 PolarHBondContact OD1-N 3.16Å; L323-Q325 VanDerWaalsContact C-N 3.33Å; L323-Q325 PolarHBondContact O-N 3.33Å; L323-K326 HydrophobicContact CD2-CD 4.39Å; L323-K326 PolarHBondContact O-N 2.8Å; L323-W327 WeakPolarHBondContact O-CB 3.5Å; L323-W327 PolarHBondContact O-N 3.35Å
324	R	98.5	Very high	98.2	Very high	64 Å²	64	43.7 Å²	43.7	24%	0.242	23%	0.227	C	C	.	.	H	α-helix	trans	-60.7	-45.4	175.6	-172.6	-178.4	177.6	85.4	5.1	110.5	L317 M318 N320 P321 D322 W327 L328	L317-R324 WeakPolarHBondContact O-CA 3.33Å; L317-R324 VanDerWaalsContact O-CB 3.28Å; L317-R324 WeakPolarHBondContact O-CB 3.32Å; L317-R324 PolarHBondContact O-N 3.25Å; M318-R324 PolarHBondContact O-NH1 3.32Å; N320-R324 VanDerWaalsContact O-CB 3.32Å; N320-R324 WeakPolarHBondContact O-CB 3.4Å; N320-R324 PolarHBondContact O-N 2.83Å; P321-R324 WeakPolarHBondContact O-CB 3.49Å; P321-R324 PolarHBondContact O-N 2.72Å; D322-R324 VanDerWaalsContact C-N 3.3Å; D322-R324 PolarHBondContact O-N 2.66Å; R324-W327 HydrophobicContact CG-CE3 4.44Å; R324-W327 PolarHBondContact O-N 2.86Å; R324-L328 HydrophobicContact CG-CD1 4.47Å; R324-L328 VanDerWaalsContact O-CG 3.3Å; R324-L328 WeakPolarHBondContact O-CG 3.1Å; R324-L328 PolarHBondContact O-N 2.95Å
325	Q	98.4	Very high	98.2	Very high	116 Å²	116	43.8 Å²	43.8	54%	0.542	23%	0.228	S	C	.	.	H	α-helix	trans	-62.9	-44.6	176	-68	-55.8	-37.8	0	0	111.8	P321 D322 L323 W327 L328 I329	P321-Q325 WeakPolarHBondContact O-CG 3.08Å; P321-Q325 PolarHBondContact O-N 2.78Å; D322-Q325 PolarHBondContact O-N 3.48Å; L323-Q325 VanDerWaalsContact C-N 3.33Å; L323-Q325 PolarHBondContact O-N 3.33Å; Q325-W327 VanDerWaalsContact C-N 3.33Å; Q325-W327 PolarHBondContact O-N 3.19Å; Q325-L328 PolarHBondContact O-N 3.48Å; Q325-I329 WeakPolarHBondContact O-CG1 3.3Å; Q325-I329 PolarHBondContact O-N 3.27Å
326	K	98.7	Very high	98.1	Very high	83 Å²	83	46.3 Å²	46.3	36%	0.361	24%	0.241	S	C	.	.	H	α-helix	trans	-59.9	-41.9	175.2	-69.5	174	-178.4	179	0	112.3	E68 D322 L323 I329 D330	E68-K326 IonicContact OE1-NZ 3.89Å; E68-K326 PolarHBondContact OE1-NZ 3.35Å; E68-K326 WeakPolarHBondContact OE2-CD 3.37Å; E68-K326 IonicContact OE2-NZ 2.65Å; E68-K326 PolarHBondContact OE2-NZ 2.84Å; D322-K326 WeakPolarHBondContact O-CG 3.46Å; D322-K326 PolarHBondContact O-N 2.98Å; L323-K326 HydrophobicContact CD2-CD 4.39Å; L323-K326 PolarHBondContact O-N 2.8Å; K326-I329 WeakPolarHBondContact O-CB 3.22Å; K326-I329 PolarHBondContact O-N 2.71Å; K326-D330 PolarHBondContact O-N 3.27Å
327	W	98.6	Very high	98	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.6	-42	176.2	169.1	53.3	0	0	0	112.2	S65 L98 I239 N267 M268 L317 L323 R324 Q325 I329 D330 L331	S65-W327 WeakPolarHBondContact OG-CA 3.33Å; L98-W327 HydrophobicContact CD1-CH2 3.85Å; L98-W327 HydrophobicContact CD1-CZ3 4.11Å; L98-W327 HydrophobicContact CD2-CH2 3.93Å; I239-W327 HydrophobicContact CG2-CH2 4.19Å; N267-W327 HydrophobicContact CB-CZ2 4.3Å; N267-W327 PolarHBondContact O-NE1 2.82Å; M268-W327 HydrophobicContact CE-CD2 4.27Å; M268-W327 HydrophobicContact CE-CE3 4.47Å; M268-W327 HydrophobicContact CE-CH2 3.93Å; M268-W327 HydrophobicContact CE-CZ2 3.7Å; M268-W327 HydrophobicContact CE-CZ3 4.31Å; M268-W327 HydrophobicContact CG-CZ2 4.01Å; L317-W327 HydrophobicContact CD2-CB 4.32Å; L323-W327 WeakPolarHBondContact O-CB 3.5Å; L323-W327 PolarHBondContact O-N 3.35Å; R324-W327 HydrophobicContact CG-CE3 4.44Å; R324-W327 PolarHBondContact O-N 2.86Å; Q325-W327 VanDerWaalsContact C-N 3.33Å; Q325-W327 PolarHBondContact O-N 3.19Å; W327-I329 VanDerWaalsContact C-N 3.29Å; W327-I329 PolarHBondContact O-N 3.16Å; W327-D330 PolarHBondContact O-N 3.24Å; W327-L331 HydrophobicContact CZ2-CD2 4.03Å; W327-L331 VanDerWaalsContact O-CB 3.31Å; W327-L331 WeakPolarHBondContact O-CB 3.48Å; W327-L331 PolarHBondContact O-N 3.24Å
328	L	98.4	Very high	97.9	Very high	44 Å²	44	47 Å²	47	23%	0.23	24%	0.243	C	C	.	.	H	α-helix	trans	-62.5	-37.1	175.2	-68.6	173.1	0	0	0	111.7	I239 R324 Q325 L331 K332	I239-L328 HydrophobicContact CD1-CD2 4Å; I239-L328 HydrophobicContact CG1-CD2 4.09Å; I239-L328 HydrophobicContact CG2-CD2 3.88Å; R324-L328 HydrophobicContact CG-CD1 4.47Å; R324-L328 VanDerWaalsContact O-CG 3.3Å; R324-L328 WeakPolarHBondContact O-CG 3.1Å; R324-L328 PolarHBondContact O-N 2.95Å; Q325-L328 PolarHBondContact O-N 3.48Å; L328-L331 PolarHBondContact O-N 3.4Å; L328-K332 VanDerWaalsContact O-CB 3.32Å; L328-K332 WeakPolarHBondContact O-CB 3.45Å; L328-K332 PolarHBondContact O-N 2.94Å
329	I	98.5	Very high	97.8	Very high	104 Å²	104	49.5 Å²	49.5	53%	0.533	26%	0.256	S	S	.	.	H	α-helix	trans	-64.8	-46.2	173	-66.8	164.2	0	0	0	111.2	Q325 K326 W327 L331 K332 T333	Q325-I329 WeakPolarHBondContact O-CG1 3.3Å; Q325-I329 PolarHBondContact O-N 3.27Å; K326-I329 WeakPolarHBondContact O-CB 3.22Å; K326-I329 PolarHBondContact O-N 2.71Å; W327-I329 VanDerWaalsContact C-N 3.29Å; W327-I329 PolarHBondContact O-N 3.16Å; I329-L331 VanDerWaalsContact C-N 3.31Å; I329-L331 PolarHBondContact O-N 3.24Å; I329-K332 PolarHBondContact O-N 2.56Å; I329-T333 WeakPolarHBondContact O-CB 3.33Å; I329-T333 PolarHBondContact O-N 2.97Å; I329-T333 PolarHBondContact O-OG1 2.95Å
330	D	98.1	Very high	97.8	Very high	15 Å²	15	50.5 Å²	50.5	8%	0.08	26%	0.26	C	S	.	.	H	α-helix	trans	-59.2	-44.8	176.7	-71	-23	0	0	0	111.1	L63 P64 S65 K326 W327 T333 M334	L63-D330 HydrophobicContact CB-CB 4.28Å; L63-D330 WeakPolarHBondContact CB-OD2 3.27Å; L63-D330 HydrophobicContact CD2-CB 3.81Å; L63-D330 HydrophobicContact CG-CB 3.91Å; P64-D330 WeakPolarHBondContact CD-OD1 3.46Å; S65-D330 WeakPolarHBondContact CB-OD2 3.41Å; S65-D330 PolarHBondContact N-OD2 3.47Å; S65-D330 PolarHBondContact OG-OD2 3.27Å; K326-D330 PolarHBondContact O-N 3.27Å; W327-D330 PolarHBondContact O-N 3.24Å; D330-T333 WeakPolarHBondContact O-CB 3.46Å; D330-T333 PolarHBondContact O-N 2.83Å; D330-M334 WeakPolarHBondContact O-CG 3.39Å; D330-M334 PolarHBondContact O-N 3.48Å
331	L	97.2	Very high	97.8	Very high	2 Å²	2	49 Å²	49	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-63.2	-45.6	179.2	-173.9	55.2	0	0	0	111.9	G233 F234 I239 N267 W327 L328 I329 M334 A335	G233-L331 WeakPolarHBondContact O-CG 3.4Å; F234-L331 HydrophobicContact CB-CD1 3.71Å; F234-L331 HydrophobicContact CD2-CD1 4.31Å; F234-L331 HydrophobicContact CG-CD1 4.37Å; I239-L331 HydrophobicContact CG2-CD2 3.81Å; N267-L331 HydrophobicContact CB-CD1 3.88Å; N267-L331 HydrophobicContact CB-CD2 4.27Å; W327-L331 HydrophobicContact CZ2-CD2 4.03Å; W327-L331 VanDerWaalsContact O-CB 3.31Å; W327-L331 WeakPolarHBondContact O-CB 3.48Å; W327-L331 PolarHBondContact O-N 3.24Å; L328-L331 PolarHBondContact O-N 3.4Å; I329-L331 VanDerWaalsContact C-N 3.31Å; I329-L331 PolarHBondContact O-N 3.24Å; L331-M334 HydrophobicContact CD1-CE 3.89Å; L331-M334 PolarHBondContact O-N 2.73Å; L331-A335 PolarHBondContact O-N 3.23Å
332	K	97.8	Very high	97.8	Very high	82 Å²	82	44.8 Å²	44.8	36%	0.357	22%	0.224	S	C	.	.	H	α-helix	trans	-61.8	-43	175.2	-177.9	55.4	174.5	155.7	0	111.5	L328 I329 M334 A335 D336	L328-K332 VanDerWaalsContact O-CB 3.32Å; L328-K332 WeakPolarHBondContact O-CB 3.45Å; L328-K332 PolarHBondContact O-N 2.94Å; I329-K332 PolarHBondContact O-N 2.56Å; K332-M334 VanDerWaalsContact C-N 3.34Å; K332-M334 PolarHBondContact O-N 3.24Å; K332-A335 PolarHBondContact O-N 2.78Å; K332-D336 VanDerWaalsContact CE-OD1 3.3Å; K332-D336 WeakPolarHBondContact CE-OD1 3.35Å; K332-D336 WeakPolarHBondContact CE-OD2 3.37Å; K332-D336 IonicContact NZ-OD1 2.81Å; K332-D336 PolarHBondContact NZ-OD1 3.05Å; K332-D336 IonicContact NZ-OD2 3.61Å; K332-D336 WeakPolarHBondContact O-CB 3.34Å; K332-D336 PolarHBondContact O-N 3.3Å
333	T	97.4	Very high	97.7	Very high	75 Å²	75	44 Å²	44	46%	0.46	22%	0.216	S	C	.	.	H	α-helix	trans	-58.5	-44.9	175.5	-59.6	0	0	0	0	111.7	I329 D330 R337	I329-T333 WeakPolarHBondContact O-CB 3.33Å; I329-T333 PolarHBondContact O-N 2.97Å; I329-T333 PolarHBondContact O-OG1 2.95Å; D330-T333 WeakPolarHBondContact O-CB 3.46Å; D330-T333 PolarHBondContact O-N 2.83Å; T333-R337 WeakPolarHBondContact O-CB 3.44Å; T333-R337 PolarHBondContact O-N 3.42Å; T333-R337 VanDerWaalsContact O-N 3.11Å
334	M	97.5	Very high	97.7	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-64.4	-45	177	-68.3	-170.6	-64.8	0	0	111.8	Y53 F61 L63 F234 D330 L331 K332 I338	Y53-M334 HydrophobicContact CD1-CG 4.29Å; Y53-M334 HydrophobicContact CD1-SD 4Å; Y53-M334 HydrophobicContact CD2-CB 4.31Å; Y53-M334 HydrophobicContact CD2-CG 4.44Å; Y53-M334 HydrophobicContact CD2-SD 4.49Å; Y53-M334 HydrophobicContact CE1-CG 3.85Å; Y53-M334 HydrophobicContact CE1-SD 4.15Å; Y53-M334 HydrophobicContact CE2-CB 3.79Å; Y53-M334 HydrophobicContact CE2-CG 3.99Å; Y53-M334 HydrophobicContact CG-SD 4.16Å; F61-M334 HydrophobicContact CD1-CG 4.13Å; F61-M334 HydrophobicContact CD1-SD 3.96Å; F61-M334 HydrophobicContact CE1-CG 4.04Å; F61-M334 HydrophobicContact CE1-SD 4.23Å; L63-M334 HydrophobicContact CD1-CE 4.04Å; L63-M334 HydrophobicContact CD1-SD 3.9Å; L63-M334 HydrophobicContact CD2-CE 3.96Å; L63-M334 HydrophobicContact CG-CE 4.21Å; L63-M334 HydrophobicContact CG-SD 4.44Å; F234-M334 HydrophobicContact CD2-CB 4.02Å; F234-M334 HydrophobicContact CE2-CB 3.68Å; D330-M334 WeakPolarHBondContact O-CG 3.39Å; D330-M334 PolarHBondContact O-N 3.48Å; L331-M334 HydrophobicContact CD1-CE 3.89Å; L331-M334 PolarHBondContact O-N 2.73Å; K332-M334 VanDerWaalsContact C-N 3.34Å; K332-M334 PolarHBondContact O-N 3.24Å; M334-I338 WeakPolarHBondContact O-CG1 3.38Å; M334-I338 PolarHBondContact O-N 3.06Å
335	A	97.1	Very high	97.7	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.008	22%	0.216	C	C	.	.	H	α-helix	trans	-64.1	-45.8	179	0	0	0	0	0	112	G237 L331 K332 R337 I338 I339	G237-A335 VanDerWaalsContact CA-CB 3.5Å; L331-A335 PolarHBondContact O-N 3.23Å; K332-A335 PolarHBondContact O-N 2.78Å; A335-R337 VanDerWaalsContact C-N 3.32Å; A335-R337 PolarHBondContact O-N 2.87Å; A335-I338 WeakPolarHBondContact O-CB 3.29Å; A335-I338 PolarHBondContact O-N 3.09Å; A335-I338 VanDerWaalsContact O-N 3.09Å; A335-I339 WeakPolarHBondContact O-CG1 3.18Å; A335-I339 PolarHBondContact O-N 3.36Å
336	D	97.4	Very high	97.7	Very high	61 Å²	61	40.8 Å²	40.8	33%	0.326	20%	0.204	S	C	.	.	H	α-helix	trans	-60.9	-41.7	178.9	-75.1	-18.8	0	0	0	111.5	K332 I338 I339 T340	K332-D336 VanDerWaalsContact CE-OD1 3.3Å; K332-D336 WeakPolarHBondContact CE-OD1 3.35Å; K332-D336 WeakPolarHBondContact CE-OD2 3.37Å; K332-D336 IonicContact NZ-OD1 2.81Å; K332-D336 PolarHBondContact NZ-OD1 3.05Å; K332-D336 IonicContact NZ-OD2 3.61Å; K332-D336 WeakPolarHBondContact O-CB 3.34Å; K332-D336 PolarHBondContact O-N 3.3Å; D336-I338 VanDerWaalsContact C-N 3.32Å; D336-I338 PolarHBondContact O-N 3.23Å; D336-I339 PolarHBondContact O-N 3.32Å; D336-T340 PolarHBondContact O-N 2.96Å; D336-T340 PolarHBondContact O-OG1 2.65Å; D336-T340 VanDerWaalsContact O-OG1 3.06Å
337	R	96.5	Very high	97.7	Very high	31 Å²	31	41.7 Å²	41.7	12%	0.117	21%	0.213	C	C	.	.	H	α-helix	trans	-58.1	-45.2	173.9	-173.5	-171.1	179.1	-87.1	-23.9	111.9	Y53 R54 D55 D56 T333 A335 I339 T340 M341 L400	Y53-R337 WeakPolarHBondContact OH-CD 3.23Å; R54-R337 PolarHBondContact O-NH1 3.38Å; D55-R337 PolarHBondContact O-NH2 3.24Å; D56-R337 IonicContact OD1-CZ 3.76Å; D56-R337 IonicContact OD1-NE 2.89Å; D56-R337 IonicContact OD1-NH2 3.77Å; D56-R337 PolarHBondContact OD1-NH2 3.41Å; T333-R337 WeakPolarHBondContact O-CB 3.44Å; T333-R337 PolarHBondContact O-N 3.42Å; T333-R337 VanDerWaalsContact O-N 3.11Å; A335-R337 VanDerWaalsContact C-N 3.32Å; A335-R337 PolarHBondContact O-N 2.87Å; R337-I339 VanDerWaalsContact C-N 3.34Å; R337-T340 PolarHBondContact O-N 3.26Å; R337-M341 WeakPolarHBondContact O-CG 3.4Å; R337-M341 PolarHBondContact O-N 3.37Å; R337-L400 PolarHBondContact NH2-O 3.06Å
338	I	96.7	Very high	97.6	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.015	22%	0.217	C	C	.	.	H	α-helix	trans	-63	-42.7	178.8	-68.4	-65.1	0	0	0	110.7	Y53 F234 M334 A335 D336 M341 R342 G366 I397 A398	Y53-I338 HydrophobicContact CD2-CD1 4.31Å; Y53-I338 HydrophobicContact CD2-CG1 4.44Å; Y53-I338 HydrophobicContact CE2-CD1 4.33Å; Y53-I338 HydrophobicContact CE2-CG1 4.25Å; F234-I338 HydrophobicContact CE2-CG1 4.03Å; F234-I338 HydrophobicContact CZ-CG1 4Å; M334-I338 WeakPolarHBondContact O-CG1 3.38Å; M334-I338 PolarHBondContact O-N 3.06Å; A335-I338 WeakPolarHBondContact O-CB 3.29Å; A335-I338 PolarHBondContact O-N 3.09Å; A335-I338 VanDerWaalsContact O-N 3.09Å; D336-I338 VanDerWaalsContact C-N 3.32Å; D336-I338 PolarHBondContact O-N 3.23Å; I338-M341 PolarHBondContact O-N 2.86Å; I338-R342 WeakPolarHBondContact O-CG 3.33Å; I338-R342 PolarHBondContact O-N 3.32Å; I338-G366 WeakPolarHBondContact CG2-O 3.38Å; I338-I397 HydrophobicContact CB-CG2 4.49Å; I338-I397 HydrophobicContact CD1-CB 4.22Å; I338-I397 HydrophobicContact CD1-CG2 4.02Å; I338-I397 HydrophobicContact CG2-CB 4.29Å; I338-I397 HydrophobicContact CG2-CG2 3.92Å; I338-A398 HydrophobicContact CD1-CB 3.95Å
339	I	96.9	Very high	97.6	Very high	59 Å²	59	40.1 Å²	40.1	30%	0.303	21%	0.206	S	C	.	.	H	α-helix	trans	-61.6	-46.9	175.8	-67.2	164.3	0	0	0	110.5	A335 D336 R337 M341 R342 Q343	A335-I339 WeakPolarHBondContact O-CG1 3.18Å; A335-I339 PolarHBondContact O-N 3.36Å; D336-I339 PolarHBondContact O-N 3.32Å; R337-I339 VanDerWaalsContact C-N 3.34Å; I339-M341 PolarHBondContact O-N 3.48Å; I339-R342 WeakPolarHBondContact O-CB 3.39Å; I339-R342 PolarHBondContact O-N 2.65Å; I339-Q343 WeakPolarHBondContact O-CG 3.38Å; I339-Q343 PolarHBondContact O-N 3.05Å
340	T	97.4	Very high	97.6	Very high	68 Å²	68	39.7 Å²	39.7	42%	0.417	20%	0.204	S	C	.	.	H	α-helix	trans	-59.5	-45.1	175.9	-60	0	0	0	0	111.3	D336 R337 R342 Q343 S344	D336-T340 PolarHBondContact O-N 2.96Å; D336-T340 PolarHBondContact O-OG1 2.65Å; D336-T340 VanDerWaalsContact O-OG1 3.06Å; R337-T340 PolarHBondContact O-N 3.26Å; T340-R342 VanDerWaalsContact C-N 3.32Å; T340-R342 PolarHBondContact O-N 2.71Å; T340-Q343 WeakPolarHBondContact O-CB 3.23Å; T340-Q343 PolarHBondContact O-N 3.26Å; T340-Q343 VanDerWaalsContact O-N 3.16Å; T340-S344 WeakPolarHBondContact O-CB 3.38Å; T340-S344 PolarHBondContact O-N 2.87Å; T340-S344 PolarHBondContact O-OG 3.11Å; T340-S344 VanDerWaalsContact O-OG 3.1Å
341	M	97.7	Very high	97.5	Very high	10 Å²	10	46.6 Å²	46.6	5%	0.049	23%	0.233	C	C	.	.	H	α-helix	trans	-64.4	-34.3	178.8	-71.3	-60.6	96.1	0	0	113.2	R337 I338 I339 L345 I397 L400	R337-M341 WeakPolarHBondContact O-CG 3.4Å; R337-M341 PolarHBondContact O-N 3.37Å; I338-M341 PolarHBondContact O-N 2.86Å; I339-M341 PolarHBondContact O-N 3.48Å; M341-L345 WeakPolarHBondContact O-CB 3.16Å; M341-L345 PolarHBondContact O-N 3.25Å; M341-I397 HydrophobicContact CB-CG2 3.73Å; M341-L400 HydrophobicContact CB-CB 4.06Å; M341-L400 HydrophobicContact CB-CD1 4.27Å; M341-L400 HydrophobicContact CG-CB 4.09Å; M341-L400 HydrophobicContact SD-CB 3.97Å
342	R	97.6	Very high	97.5	Very high	6 Å²	6	49.7 Å²	49.7	2%	0.023	25%	0.247	C	C	.	.	H	α-helix	trans	-62.2	-46.8	170.9	-72.7	171.4	175.8	-80.1	2.4	111.5	I338 I339 T340 L345 R346 I361 T362 Q364 I365 G366 F368 I397	I338-R342 WeakPolarHBondContact O-CG 3.33Å; I338-R342 PolarHBondContact O-N 3.32Å; I339-R342 WeakPolarHBondContact O-CB 3.39Å; I339-R342 PolarHBondContact O-N 2.65Å; T340-R342 VanDerWaalsContact C-N 3.32Å; T340-R342 PolarHBondContact O-N 2.71Å; R342-L345 PolarHBondContact O-N 3.01Å; R342-R346 PolarHBondContact O-N 3.28Å; R342-R346 VanDerWaalsContact O-N 3.12Å; R342-I361 HydrophobicContact CB-CG2 4.11Å; R342-I361 WeakPolarHBondContact CD-O 3.44Å; R342-I361 HydrophobicContact CG-CG2 4.37Å; R342-I361 WeakPolarHBondContact CG-O 3.37Å; R342-I361 PolarHBondContact NH1-O 3.39Å; R342-I361 WeakPolarHBondContact O-CG2 3.33Å; R342-T362 HydrophobicContact CB-CG2 4.42Å; R342-Q364 PolarHBondContact NH1-O 2.88Å; R342-I365 PolarHBondContact NH2-O 3.05Å; R342-G366 PolarHBondContact NE-O 3.03Å; R342-G366 PolarHBondContact NH2-O 3.34Å; R342-F368 PolarHBondContact NH2-O 2.76Å; R342-I397 HydrophobicContact CG-CD1 4.16Å; R342-I397 HydrophobicContact CG-CG1 4.07Å; R342-I397 HydrophobicContact CG-CG2 3.98Å
343	Q	98	Very high	97.4	Very high	97 Å²	97	47.4 Å²	47.4	45%	0.453	25%	0.247	S	C	.	.	H	α-helix	trans	-63.4	-46.2	177.6	-69.3	172.5	-13.3	0	0	111.5	I339 T340 L345 R346 N347 T362	I339-Q343 WeakPolarHBondContact O-CG 3.38Å; I339-Q343 PolarHBondContact O-N 3.05Å; T340-Q343 WeakPolarHBondContact O-CB 3.23Å; T340-Q343 PolarHBondContact O-N 3.26Å; T340-Q343 VanDerWaalsContact O-N 3.16Å; Q343-L345 PolarHBondContact O-N 3.23Å; Q343-R346 PolarHBondContact O-N 3.32Å; Q343-N347 WeakPolarHBondContact O-CB 3.36Å; Q343-N347 PolarHBondContact O-N 3.03Å; Q343-N347 PolarHBondContact O-ND2 3.34Å; Q343-T362 HydrophobicContact CG-CG2 4.19Å
344	S	98.2	Very high	97.3	Very high	34 Å²	34	44.5 Å²	44.5	24%	0.238	23%	0.23	C	C	.	.	H	α-helix	trans	-58.8	-47.8	177.1	-64.2	0	0	0	0	111.4	T340 R346 N347 S348	T340-S344 WeakPolarHBondContact O-CB 3.38Å; T340-S344 PolarHBondContact O-N 2.87Å; T340-S344 PolarHBondContact O-OG 3.11Å; T340-S344 VanDerWaalsContact O-OG 3.1Å; S344-R346 PolarHBondContact O-N 3.24Å; S344-N347 PolarHBondContact O-N 2.91Å; S344-S348 WeakPolarHBondContact O-CB 3.49Å; S344-S348 PolarHBondContact O-N 3.42Å; S344-S348 PolarHBondContact O-OG 2.97Å
345	L	98.3	Very high	97.1	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.1	-46.8	178.9	178.9	57.9	0	0	0	111.9	M341 R342 Q343 N347 S348 L349 I361 I395 L400 V405 L408 A409 I412	M341-L345 WeakPolarHBondContact O-CB 3.16Å; M341-L345 PolarHBondContact O-N 3.25Å; R342-L345 PolarHBondContact O-N 3.01Å; Q343-L345 PolarHBondContact O-N 3.23Å; L345-N347 PolarHBondContact O-N 2.86Å; L345-S348 PolarHBondContact O-N 3.42Å; L345-L349 HydrophobicContact CD1-CD1 4.1Å; L345-L349 HydrophobicContact CD1-CG 4.32Å; L345-L349 HydrophobicContact CG-CD1 4.06Å; L345-L349 WeakPolarHBondContact O-CD1 3.41Å; L345-L349 VanDerWaalsContact O-CG 3.3Å; L345-L349 WeakPolarHBondContact O-CG 3.4Å; L345-L349 PolarHBondContact O-N 2.89Å; L345-I361 HydrophobicContact CB-CG2 4.49Å; L345-I361 HydrophobicContact CD2-CD1 3.99Å; L345-I361 HydrophobicContact CD2-CG2 4.26Å; L345-I361 HydrophobicContact CG-CD1 4.07Å; L345-I395 HydrophobicContact CD2-CD1 3.91Å; L345-L400 HydrophobicContact CB-CD1 4.12Å; L345-L400 HydrophobicContact CD2-CD1 3.93Å; L345-V405 HydrophobicContact CB-CG2 3.95Å; L345-V405 HydrophobicContact CD1-CG2 4.36Å; L345-L408 HydrophobicContact CD1-CD2 3.93Å; L345-L408 HydrophobicContact CD1-CG 4.1Å; L345-L408 HydrophobicContact CD2-CD2 4.22Å; L345-A409 HydrophobicContact CD1-CB 4.2Å; L345-I412 HydrophobicContact CD1-CD1 4.44Å
346	R	97.7	Very high	96.9	Very high	80 Å²	80	58.2 Å²	58.2	30%	0.302	29%	0.293	S	S	.	.	H	α-helix	trans	-60.1	-46.7	176.6	179.9	178.5	175.5	-170.9	-2.8	111.6	R342 Q343 S344 L349 I350 W358 T362	R342-R346 PolarHBondContact O-N 3.28Å; R342-R346 VanDerWaalsContact O-N 3.12Å; Q343-R346 PolarHBondContact O-N 3.32Å; S344-R346 PolarHBondContact O-N 3.24Å; R346-L349 PolarHBondContact O-N 3.13Å; R346-I350 HydrophobicContact CG-CD1 4.14Å; R346-I350 WeakPolarHBondContact O-CG1 3.23Å; R346-I350 PolarHBondContact O-N 3.5Å; R346-I350 VanDerWaalsContact O-N 3.1Å; R346-W358 HydrophobicContact CG-CB 4.23Å; R346-T362 HydrophobicContact CB-CG2 4.19Å; R346-T362 PolarHBondContact NH1-OG1 2.9Å
347	N	98	Very high	96.7	Very high	101 Å²	101	60.6 Å²	60.6	54%	0.54	31%	0.306	S	S	.	.	H	α-helix	trans	-65	-41.1	-179.3	-69.8	-11.8	0	0	0	111.7	Q343 S344 L345 I350 K351	Q343-N347 WeakPolarHBondContact O-CB 3.36Å; Q343-N347 PolarHBondContact O-N 3.03Å; Q343-N347 PolarHBondContact O-ND2 3.34Å; S344-N347 PolarHBondContact O-N 2.91Å; L345-N347 PolarHBondContact O-N 2.86Å; N347-I350 PolarHBondContact O-N 3.3Å; N347-K351 WeakPolarHBondContact O-CB 3.36Å; N347-K351 PolarHBondContact O-N 2.97Å
348	S	98.3	Very high	96.6	Very high	11 Å²	11	59.9 Å²	59.9	8%	0.077	30%	0.303	C	S	.	.	H	α-helix	trans	-66.2	-37.8	177.1	-60.9	0	0	0	0	111.5	S344 L345 I350 K351 E352 D406	S344-S348 WeakPolarHBondContact O-CB 3.49Å; S344-S348 PolarHBondContact O-N 3.42Å; S344-S348 PolarHBondContact O-OG 2.97Å; L345-S348 PolarHBondContact O-N 3.42Å; S348-I350 PolarHBondContact O-N 2.84Å; S348-K351 WeakPolarHBondContact O-CB 3.43Å; S348-K351 PolarHBondContact O-N 3.12Å; S348-E352 WeakPolarHBondContact O-CG 3.41Å; S348-E352 PolarHBondContact O-N 3.11Å; S348-D406 WeakPolarHBondContact CB-OD1 3.4Å; S348-D406 PolarHBondContact OG-OD1 3.42Å
349	L	98.1	Very high	96.6	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-62.6	-40.5	173.6	-75.3	163.2	0	0	0	112.8	L345 R346 S354 W358 I361 A409 I412	L345-L349 HydrophobicContact CD1-CD1 4.1Å; L345-L349 HydrophobicContact CD1-CG 4.32Å; L345-L349 HydrophobicContact CG-CD1 4.06Å; L345-L349 WeakPolarHBondContact O-CD1 3.41Å; L345-L349 VanDerWaalsContact O-CG 3.3Å; L345-L349 WeakPolarHBondContact O-CG 3.4Å; L345-L349 PolarHBondContact O-N 2.89Å; R346-L349 PolarHBondContact O-N 3.13Å; L349-S354 VanDerWaalsContact O-CB 3.27Å; L349-S354 WeakPolarHBondContact O-CB 3.36Å; L349-S354 PolarHBondContact O-N 2.97Å; L349-S354 VanDerWaalsContact O-N 3.14Å; L349-W358 HydrophobicContact CB-CG 4.3Å; L349-W358 HydrophobicContact CD1-CB 4.37Å; L349-W358 HydrophobicContact CD1-CD2 3.7Å; L349-W358 HydrophobicContact CD1-CE3 4.08Å; L349-W358 HydrophobicContact CD1-CG 3.81Å; L349-W358 HydrophobicContact CD2-CZ2 4.4Å; L349-I361 HydrophobicContact CD1-CD1 3.68Å; L349-A409 HydrophobicContact CD2-CB 4.16Å; L349-A409 WeakPolarHBondContact CD2-O 3.49Å; L349-A409 HydrophobicContact CG-CB 4.03Å; L349-I412 HydrophobicContact CD2-CB 3.82Å; L349-I412 HydrophobicContact CD2-CG2 3.5Å
350	I	97	Very high	96.5	Very high	96 Å²	96	58.9 Å²	58.9	49%	0.492	30%	0.3	S	S	.	.	H	α-helix	trans	-65.4	-44.1	174.2	-67.1	166.1	0	0	0	110.2	R346 N347 S348 E352 G353	R346-I350 HydrophobicContact CG-CD1 4.14Å; R346-I350 WeakPolarHBondContact O-CG1 3.23Å; R346-I350 PolarHBondContact O-N 3.5Å; R346-I350 VanDerWaalsContact O-N 3.1Å; N347-I350 PolarHBondContact O-N 3.3Å; S348-I350 PolarHBondContact O-N 2.84Å; I350-E352 VanDerWaalsContact C-N 3.3Å; I350-E352 PolarHBondContact O-N 3.33Å; I350-G353 PolarHBondContact O-N 2.88Å
351	K	97.3	Very high	96.5	Very high	160 Å²	160	55.7 Å²	55.7	70%	0.696	28%	0.28	S	S	*	.	H	α-helix	trans	-61.5	-35.8	178.5	-178.1	-173.8	171.5	-167.2	0	112.7	N347 S348 G353	N347-K351 WeakPolarHBondContact O-CB 3.36Å; N347-K351 PolarHBondContact O-N 2.97Å; S348-K351 WeakPolarHBondContact O-CB 3.43Å; S348-K351 PolarHBondContact O-N 3.12Å; K351-G353 PolarHBondContact O-N 3.42Å
352	E	96.7	Very high	96.4	Very high	66 Å²	66	57.2 Å²	57.2	31%	0.308	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-13.7	174.5	-72.4	-68.9	135.1	0	0	113.2	S348 I350 A409 H410 H413	S348-E352 WeakPolarHBondContact O-CG 3.41Å; S348-E352 PolarHBondContact O-N 3.11Å; I350-E352 VanDerWaalsContact C-N 3.3Å; I350-E352 PolarHBondContact O-N 3.33Å; E352-A409 HydrophobicContact CG-CB 4.45Å; E352-H410 HydrophobicContact CG-CB 4.43Å; E352-H410 IonicContact OE2-CE1 3.43Å; E352-H410 IonicContact OE2-CG 2.71Å; E352-H410 IonicContact OE2-ND1 3.31Å; E352-H410 PolarHBondContact OE2-ND1 3.02Å; E352-H413 HydrophobicContact CB-CB 4.06Å; E352-H413 PolarHBondContact O-CD2 3.4Å; E352-H413 PolarHBondContact O-NE2 3.25Å
353	G	96.3	Very high	96.3	Very high	35 Å²	35	62.9 Å²	62.9	36%	0.361	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	98	17.8	178.6	0	0	0	0	0	114.7	I350 K351 H355	I350-G353 PolarHBondContact O-N 2.88Å; K351-G353 PolarHBondContact O-N 3.42Å; G353-H355 PolarHBondContact O-N 3.48Å
354	S	95.6	Very high	96.1	Very high	13 Å²	13	58.6 Å²	58.6	9%	0.091	30%	0.301	C	S	.	.			trans	-65.4	131.4	175.4	177.1	0	0	0	0	112.4	L349 H356 W358	L349-S354 VanDerWaalsContact O-CB 3.27Å; L349-S354 WeakPolarHBondContact O-CB 3.36Å; L349-S354 PolarHBondContact O-N 2.97Å; L349-S354 VanDerWaalsContact O-N 3.14Å; S354-H356 PolarHBondContact OG-N 3.43Å; S354-W358 PolarHBondContact OG-NE1 2.93Å
355	H	92.3	Very high	96	Very high	192 Å²	192	59.2 Å²	59.2	89%	0.889	30%	0.301	S	S	*	.			trans	-92.4	-8.1	173.6	-61	-64.1	0	0	0	114.4	G353	G353-H355 PolarHBondContact O-N 3.48Å
356	H	92.8	Very high	95.7	Very high	100 Å²	100	59.3 Å²	59.3	46%	0.463	30%	0.302	S	S	.	.	S	Bend	trans	-67.2	149.9	174.5	-62.5	-67.6	0	0	0	112.2	S354 W358 T416	S354-H356 PolarHBondContact OG-N 3.43Å; H356-W358 HydrophobicContact CB-CZ2 4.06Å; H356-W358 VanDerWaalsContact O-CD1 3.29Å; H356-W358 PolarHBondContact O-N 2.8Å; H356-T416 PolarHBondContact NE2-O 3.14Å
357	D	93.3	Very high	95.6	Very high	111 Å²	111	55.5 Å²	55.5	59%	0.594	29%	0.288	S	S	*	.			trans	-76.1	115.5	169.5	-177.3	18.6	0	0	0	110.5	S359 H360	D357-S359 VanDerWaalsContact CG-OG 3.3Å; D357-S359 WeakPolarHBondContact OD1-CB 3.31Å; D357-S359 PolarHBondContact OD1-N 2.67Å; D357-S359 PolarHBondContact OD1-OG 2.82Å; D357-S359 PolarHBondContact OD2-OG 3.23Å; D357-H360 PolarHBondContact O-CE1 3.09Å; D357-H360 PolarHBondContact O-ND1 3.39Å
358	W	95.2	Very high	95.4	Very high	16 Å²	16	51.1 Å²	51.1	6%	0.061	26%	0.264	C	S	.	.			trans	-105.9	16	176.3	-62.2	110.6	0	0	0	113	R346 L349 S354 H356 H360 I361 S371 I412 T416	R346-W358 HydrophobicContact CG-CB 4.23Å; L349-W358 HydrophobicContact CB-CG 4.3Å; L349-W358 HydrophobicContact CD1-CB 4.37Å; L349-W358 HydrophobicContact CD1-CD2 3.7Å; L349-W358 HydrophobicContact CD1-CE3 4.08Å; L349-W358 HydrophobicContact CD1-CG 3.81Å; L349-W358 HydrophobicContact CD2-CZ2 4.4Å; S354-W358 PolarHBondContact OG-NE1 2.93Å; H356-W358 HydrophobicContact CB-CZ2 4.06Å; H356-W358 VanDerWaalsContact O-CD1 3.29Å; H356-W358 PolarHBondContact O-N 2.8Å; W358-H360 AromaticContact CE3-CE1 3.5Å; W358-H360 VanDerWaalsContact CE3-CE1 3.5Å; W358-H360 AromaticContact CE3-NE2 3.86Å; W358-H360 PolarHBondContact O-N 3.37Å; W358-I361 HydrophobicContact CB-CD1 4.12Å; W358-I361 HydrophobicContact CD2-CD1 4.38Å; W358-I361 HydrophobicContact CE3-CD1 3.86Å; W358-I361 HydrophobicContact CE3-CG1 4.45Å; W358-I361 WeakPolarHBondContact O-CB 3.46Å; W358-I361 PolarHBondContact O-N 2.83Å; W358-I361 VanDerWaalsContact O-N 3.16Å; W358-S371 WeakPolarHBondContact CZ3-O 3.41Å; W358-I412 HydrophobicContact CH2-CG2 3.69Å; W358-I412 HydrophobicContact CZ2-CG2 3.87Å; W358-I412 HydrophobicContact CZ3-CG2 4.44Å; W358-T416 HydrophobicContact CH2-CG2 4.15Å; W358-T416 HydrophobicContact CZ2-CG2 4.36Å
359	S	95.6	Very high	95.2	Very high	25 Å²	25	50.6 Å²	50.6	18%	0.175	26%	0.26	C	S	.	.	H	α-helix	trans	-58.9	-30.6	-178.6	67.9	0	0	0	0	113	D357 I361 T362 N363	D357-S359 VanDerWaalsContact CG-OG 3.3Å; D357-S359 WeakPolarHBondContact OD1-CB 3.31Å; D357-S359 PolarHBondContact OD1-N 2.67Å; D357-S359 PolarHBondContact OD1-OG 2.82Å; D357-S359 PolarHBondContact OD2-OG 3.23Å; S359-I361 PolarHBondContact O-N 2.95Å; S359-T362 PolarHBondContact O-N 3.24Å; S359-T362 VanDerWaalsContact O-N 3.07Å; S359-T362 PolarHBondContact O-OG1 3.49Å; S359-N363 PolarHBondContact O-N 3.2Å; S359-N363 PolarHBondContact O-ND2 2.99Å; S359-N363 PolarHBondContact O-OD1 3.17Å
360	H	95.1	Very high	94.9	Very high	16 Å²	16	51.8 Å²	51.8	7%	0.074	27%	0.265	C	S	.	.	H	α-helix	trans	-58.9	-31	176.9	60.4	-74	0	0	0	113.4	C172 D357 W358 T362 N363 Q364 Y370 S371	C172-H360 HydrophobicContact CB-CB 3.55Å; D357-H360 PolarHBondContact O-CE1 3.09Å; D357-H360 PolarHBondContact O-ND1 3.39Å; W358-H360 AromaticContact CE3-CE1 3.5Å; W358-H360 VanDerWaalsContact CE3-CE1 3.5Å; W358-H360 AromaticContact CE3-NE2 3.86Å; W358-H360 PolarHBondContact O-N 3.37Å; H360-T362 PolarHBondContact O-N 3.4Å; H360-N363 PolarHBondContact O-N 3.21Å; H360-Q364 VanDerWaalsContact O-CB 3.23Å; H360-Q364 WeakPolarHBondContact O-CB 3.06Å; H360-Q364 WeakPolarHBondContact O-CG 3.48Å; H360-Q364 PolarHBondContact O-N 2.73Å; H360-Y370 PolarHBondContact CD2-O 3.27Å; H360-S371 PolarHBondContact NE2-O 2.87Å
361	I	96.5	Very high	94.7	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-59.6	-37.6	177	-61	180	0	0	0	110.8	R342 L345 L349 W358 S359	R342-I361 HydrophobicContact CB-CG2 4.11Å; R342-I361 WeakPolarHBondContact CD-O 3.44Å; R342-I361 HydrophobicContact CG-CG2 4.37Å; R342-I361 WeakPolarHBondContact CG-O 3.37Å; R342-I361 PolarHBondContact NH1-O 3.39Å; R342-I361 WeakPolarHBondContact O-CG2 3.33Å; L345-I361 HydrophobicContact CB-CG2 4.49Å; L345-I361 HydrophobicContact CD2-CD1 3.99Å; L345-I361 HydrophobicContact CD2-CG2 4.26Å; L345-I361 HydrophobicContact CG-CD1 4.07Å; L349-I361 HydrophobicContact CD1-CD1 3.68Å; W358-I361 HydrophobicContact CB-CD1 4.12Å; W358-I361 HydrophobicContact CD2-CD1 4.38Å; W358-I361 HydrophobicContact CE3-CD1 3.86Å; W358-I361 HydrophobicContact CE3-CG1 4.45Å; W358-I361 WeakPolarHBondContact O-CB 3.46Å; W358-I361 PolarHBondContact O-N 2.83Å; W358-I361 VanDerWaalsContact O-N 3.16Å; S359-I361 PolarHBondContact O-N 2.95Å
362	T	96.4	Very high	94.5	Very high	42 Å²	42	42.1 Å²	42.1	26%	0.258	23%	0.234	S	C	.	.	H	α-helix	trans	-93.9	-23.4	179.4	48.9	0	0	0	0	114	R342 Q343 R346 S359 H360	R342-T362 HydrophobicContact CB-CG2 4.42Å; Q343-T362 HydrophobicContact CG-CG2 4.19Å; R346-T362 HydrophobicContact CB-CG2 4.19Å; R346-T362 PolarHBondContact NH1-OG1 2.9Å; S359-T362 PolarHBondContact O-N 3.24Å; S359-T362 VanDerWaalsContact O-N 3.07Å; S359-T362 PolarHBondContact O-OG1 3.49Å; H360-T362 PolarHBondContact O-N 3.4Å
363	N	95.1	Very high	94.4	Very high	125 Å²	125	39.3 Å²	39.3	67%	0.668	22%	0.221	S	C	*	.	H	α-helix	trans	-78.6	-29.3	176.3	-63.6	-16.6	0	0	0	111.8	S359 H360	S359-N363 PolarHBondContact O-N 3.2Å; S359-N363 PolarHBondContact O-ND2 2.99Å; S359-N363 PolarHBondContact O-OD1 3.17Å; H360-N363 PolarHBondContact O-N 3.21Å
364	Q	95	Very high	94.3	Very high	6 Å²	6	40.9 Å²	40.9	3%	0.028	22%	0.221	C	C	.	.	S	Bend	trans	-74.9	152.6	170.4	-69	168.8	13.4	0	0	110.9	C172 T202 G203 V204 R342 H360 C369 Y370	C172-Q364 PolarHBondContact O-NE2 3.04Å; C172-Q364 VanDerWaalsContact O-NE2 3.09Å; T202-Q364 PolarHBondContact O-OE1 3.38Å; G203-Q364 CarbonylContact O-C 3.45Å; G203-Q364 WeakPolarHBondContact O-CA 3.37Å; G203-Q364 WeakPolarHBondContact O-CB 3.39Å; V204-Q364 HydrophobicContact CG2-CG 3.76Å; R342-Q364 PolarHBondContact NH1-O 2.88Å; H360-Q364 VanDerWaalsContact O-CB 3.23Å; H360-Q364 WeakPolarHBondContact O-CB 3.06Å; H360-Q364 WeakPolarHBondContact O-CG 3.48Å; H360-Q364 PolarHBondContact O-N 2.73Å; Q364-C369 VanDerWaalsContact OE1-CA 3.25Å; Q364-C369 PolarHBondContact OE1-SG 2.8Å; Q364-Y370 PolarHBondContact NE2-O 3.45Å
365	I	95	Very high	94.3	Very high	47 Å²	47	44.1 Å²	44.1	24%	0.241	24%	0.242	C	C	.	.			trans	-124.2	161.8	-174.3	-165.9	168.3	0	0	0	112.2	G203 D205 A235 R342	G203-I365 VanDerWaalsContact CA-O 3.29Å; G203-I365 WeakPolarHBondContact CA-O 3.44Å; G203-I365 PolarHBondContact O-N 3.02Å; D205-I365 HydrophobicContact CB-CG2 4.17Å; D205-I365 WeakPolarHBondContact OD2-CG2 3.32Å; A235-I365 HydrophobicContact CB-CD1 4.02Å; A235-I365 HydrophobicContact CB-CG1 4.07Å; A235-I365 VanDerWaalsContact O-CD1 3.3Å; A235-I365 WeakPolarHBondContact O-CD1 3.38Å; A235-I365 WeakPolarHBondContact O-CG1 3.39Å; R342-I365 PolarHBondContact NH2-O 3.05Å
366	G	93.5	Very high	94.5	Very high	2 Å²	2	38.2 Å²	38.2	2%	0.021	22%	0.222	C	C	.	.	S	Bend	trans	80.5	-164.1	175	0	0	0	0	0	113.8	I338 R342 F368	I338-G366 WeakPolarHBondContact CG2-O 3.38Å; R342-G366 PolarHBondContact NE-O 3.03Å; R342-G366 PolarHBondContact NH2-O 3.34Å; G366-F368 PolarHBondContact O-N 3.05Å
367	M	93.6	Very high	94.8	Very high	1 Å²	1	35 Å²	35	1%	0.005	21%	0.207	C	C	.	.	S	Bend	trans	-78.6	-19.6	-168.7	-165.9	169	66	0	0	114.4	G51 F234 S396 I397 A398	G51-M367 VanDerWaalsContact O-CE 3.31Å; G51-M367 WeakPolarHBondContact O-CE 3.48Å; F234-M367 HydrophobicContact CE1-CB 3.89Å; F234-M367 HydrophobicContact CE1-CG 4.29Å; F234-M367 HydrophobicContact CE1-SD 3.93Å; F234-M367 HydrophobicContact CZ-CB 4.32Å; F234-M367 HydrophobicContact CZ-CG 4.47Å; F234-M367 HydrophobicContact CZ-SD 4.31Å; M367-S396 CarbonylContact O-C 3.52Å; M367-S396 WeakPolarHBondContact O-CA 3.47Å; M367-I397 PolarHBondContact O-N 3.39Å; M367-A398 HydrophobicContact CG-CB 3.81Å; M367-A398 HydrophobicContact SD-CB 4Å
368	F	94.2	Very high	94.9	Very high	9 Å²	9	29.9 Å²	29.9	4%	0.039	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	148.8	-174	-60.1	-68.9	0	0	0	112	N200 P201 Y231 R342 G366 R394 I395	N200-F368 HydrophobicContact CB-CD2 4.41Å; P201-F368 WeakPolarHBondContact O-CB 3.45Å; Y231-F368 HydrophobicContact CE1-CE2 4.33Å; Y231-F368 VanDerWaalsContact OH-CE2 3.31Å; Y231-F368 WeakPolarHBondContact OH-CE2 3.38Å; R342-F368 PolarHBondContact NH2-O 2.76Å; G366-F368 PolarHBondContact O-N 3.05Å; F368-R394 HydrophobicContact CB-CG 4.42Å; F368-R394 HydrophobicContact CD1-CG 4.5Å; F368-I395 WeakPolarHBondContact CA-O 3.43Å
369	C	94.2	Very high	95	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	131.8	178.9	169.9	0	0	0	0	108.4	Q364 S371 R394 I395 I397	Q364-C369 VanDerWaalsContact OE1-CA 3.25Å; Q364-C369 PolarHBondContact OE1-SG 2.8Å; C369-S371 PolarHBondContact O-N 2.99Å; C369-R394 CarbonylContact O-C 3.57Å; C369-R394 WeakPolarHBondContact O-CA 3.18Å; C369-I395 HydrophobicContact CB-CD1 4.34Å; C369-I395 HydrophobicContact CB-CG1 3.82Å; C369-I395 PolarHBondContact N-O 3.18Å; C369-I395 PolarHBondContact O-N 3.01Å; C369-I397 HydrophobicContact CB-CD1 3.77Å; C369-I397 HydrophobicContact CB-CG1 4.07Å
370	Y	93.1	Very high	95.1	Very high	25 Å²	25	39 Å²	39	10%	0.098	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	112	160.4	-89.4	7.3	0	0	0	108	P145 Y167 P201 T202 H360 Q364 G372 D392 R394	P145-Y370 HydrophobicContact CG-CE2 3.67Å; Y167-Y370 HydrophobicContact CD1-CD2 4.15Å; Y167-Y370 HydrophobicContact CD1-CE2 4.44Å; Y167-Y370 HydrophobicContact CD2-CD2 4.44Å; Y167-Y370 AromaticContact CE1-CD2 3.71Å; Y167-Y370 HydrophobicContact CE1-CD2 3.71Å; Y167-Y370 HydrophobicContact CE1-CE2 4.34Å; Y167-Y370 HydrophobicContact CE2-CD2 4.02Å; Y167-Y370 HydrophobicContact CG-CD2 4.48Å; Y167-Y370 AromaticContact CZ-CD2 3.63Å; P201-Y370 HydrophobicContact CB-CD1 4.36Å; P201-Y370 HydrophobicContact CB-CE1 3.64Å; P201-Y370 HydrophobicContact CG-CD1 4.46Å; P201-Y370 HydrophobicContact CG-CE1 3.51Å; P201-Y370 HydrophobicContact CG-CE2 4.39Å; P201-Y370 VanDerWaalsContact CG-CZ 3.49Å; P201-Y370 VanDerWaalsContact CG-OH 3.3Å; P201-Y370 WeakPolarHBondContact CG-OH 3.07Å; T202-Y370 HydrophobicContact CG2-CD2 3.96Å; T202-Y370 HydrophobicContact CG2-CE2 4.02Å; T202-Y370 HydrophobicContact CG2-CG 4.49Å; H360-Y370 PolarHBondContact CD2-O 3.27Å; Q364-Y370 PolarHBondContact NE2-O 3.45Å; Y370-G372 VanDerWaalsContact C-N 3.26Å; Y370-G372 PolarHBondContact O-N 3.42Å; Y370-D392 WeakPolarHBondContact CE1-OD2 3.35Å; Y370-D392 PolarHBondContact OH-OD2 3.22Å; Y370-R394 HydrophobicContact CD1-CB 3.7Å; Y370-R394 HydrophobicContact CD1-CG 3.86Å; Y370-R394 HydrophobicContact CE1-CB 3.6Å; Y370-R394 HydrophobicContact CE1-CG 3.88Å
371	S	92.7	Very high	95.2	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.014	22%	0.215	C	C	.	.			trans	-71.8	-20.1	-176.2	60.6	0	0	0	0	113.4	W358 H360 C369 L373 G393	W358-S371 WeakPolarHBondContact CZ3-O 3.41Å; H360-S371 PolarHBondContact NE2-O 2.87Å; C369-S371 PolarHBondContact O-N 2.99Å; S371-L373 VanDerWaalsContact C-N 3.29Å; S371-L373 WeakPolarHBondContact OG-CB 3.21Å; S371-L373 WeakPolarHBondContact OG-CD1 3.41Å; S371-L373 VanDerWaalsContact OG-CG 3.23Å; S371-L373 WeakPolarHBondContact OG-CG 3.49Å; S371-L373 PolarHBondContact OG-N 3.28Å; S371-G393 WeakPolarHBondContact CB-O 3.33Å; S371-G393 PolarHBondContact N-O 3.06Å; S371-G393 PolarHBondContact OG-O 2.83Å
372	G	92.2	Very high	95.2	Very high	50 Å²	50	40.2 Å²	40.2	52%	0.515	23%	0.228	S	C	.	.			trans	84.8	-0.3	-169.9	0	0	0	0	0	113.7	Y370	Y370-G372 VanDerWaalsContact C-N 3.26Å; Y370-G372 PolarHBondContact O-N 3.42Å
373	L	94.3	Very high	95.2	Very high	8 Å²	8	42.4 Å²	42.4	4%	0.042	24%	0.244	C	C	.	.			trans	-68.7	136.3	175.9	-64.4	171.3	0	0	0	111.4	S371 Q377 V378 L381 L389 I412 V415 T416	S371-L373 VanDerWaalsContact C-N 3.29Å; S371-L373 WeakPolarHBondContact OG-CB 3.21Å; S371-L373 WeakPolarHBondContact OG-CD1 3.41Å; S371-L373 VanDerWaalsContact OG-CG 3.23Å; S371-L373 WeakPolarHBondContact OG-CG 3.49Å; S371-L373 PolarHBondContact OG-N 3.28Å; L373-Q377 HydrophobicContact CB-CB 4.43Å; L373-Q377 HydrophobicContact CD2-CB 4.14Å; L373-V378 HydrophobicContact CB-CG2 4.12Å; L373-L381 HydrophobicContact CD1-CD1 3.56Å; L373-L389 HydrophobicContact CD1-CD1 4.11Å; L373-I412 HydrophobicContact CD1-CD1 4.44Å; L373-I412 HydrophobicContact CD1-CG1 4.25Å; L373-I412 HydrophobicContact CD2-CG2 4.35Å; L373-V415 HydrophobicContact CD2-CG2 4.44Å; L373-T416 HydrophobicContact CD2-CG2 3.49Å; L373-T416 VanDerWaalsContact CD2-CG2 3.49Å
374	N	94.8	Very high	95.3	Very high	67 Å²	67	42 Å²	42	36%	0.358	24%	0.239	S	C	.	.			trans	-85.6	166.7	175.6	72.5	49.5	0	0	0	111.6	S376 Q377 V378	N374-S376 VanDerWaalsContact C-N 3.29Å; N374-S376 PolarHBondContact O-N 3.26Å; N374-S376 PolarHBondContact OD1-N 3.16Å; N374-S376 PolarHBondContact OD1-OG 2.92Å; N374-Q377 VanDerWaalsContact ND2-CD 3.34Å; N374-Q377 PolarHBondContact ND2-OE1 3.35Å; N374-Q377 PolarHBondContact O-N 3.16Å; N374-Q377 VanDerWaalsContact O-N 3.16Å; N374-Q377 WeakPolarHBondContact OD1-CG 3.31Å; N374-Q377 PolarHBondContact OD1-N 3.42Å; N374-V378 WeakPolarHBondContact O-CG2 3.24Å; N374-V378 PolarHBondContact O-N 3.47Å
375	P	95.3	Very high	95.5	Very high	82 Å²	82	43.5 Å²	43.5	53%	0.532	24%	0.244	S	C	.	.	H	α-helix	trans	-57.5	-33.9	-176.8	-28.2	35.6	0	0	0	115.3	V378 E379	P375-V378 PolarHBondContact O-N 3.44Å; P375-E379 WeakPolarHBondContact O-CB 3.44Å; P375-E379 PolarHBondContact O-N 3.07Å
376	S	97.4	Very high	95.6	Very high	67 Å²	67	41.9 Å²	41.9	47%	0.469	24%	0.237	S	C	.	.	H	α-helix	trans	-74	-33.3	-179.7	71	0	0	0	0	112	N374 E379 K380	N374-S376 VanDerWaalsContact C-N 3.29Å; N374-S376 PolarHBondContact O-N 3.26Å; N374-S376 PolarHBondContact OD1-N 3.16Å; N374-S376 PolarHBondContact OD1-OG 2.92Å; S376-E379 PolarHBondContact O-N 2.93Å; S376-K380 WeakPolarHBondContact O-CG 3.44Å; S376-K380 PolarHBondContact O-N 3.24Å; S376-K380 VanDerWaalsContact O-N 3.13Å
377	Q	97.5	Very high	95.8	Very high	32 Å²	32	41.8 Å²	41.8	15%	0.15	24%	0.236	C	C	.	.	H	α-helix	trans	-67.6	-42.9	172.1	-66.4	172.3	-36.5	0	0	111.3	L373 N374 E379 K380 L381 V415	L373-Q377 HydrophobicContact CB-CB 4.43Å; L373-Q377 HydrophobicContact CD2-CB 4.14Å; N374-Q377 VanDerWaalsContact ND2-CD 3.34Å; N374-Q377 PolarHBondContact ND2-OE1 3.35Å; N374-Q377 PolarHBondContact O-N 3.16Å; N374-Q377 VanDerWaalsContact O-N 3.16Å; N374-Q377 WeakPolarHBondContact OD1-CG 3.31Å; N374-Q377 PolarHBondContact OD1-N 3.42Å; Q377-E379 VanDerWaalsContact C-N 3.29Å; Q377-E379 PolarHBondContact O-N 3.38Å; Q377-K380 PolarHBondContact O-N 3.34Å; Q377-L381 WeakPolarHBondContact O-CG 3.45Å; Q377-L381 PolarHBondContact O-N 3.32Å; Q377-V415 HydrophobicContact CB-CB 4.32Å; Q377-V415 HydrophobicContact CB-CG2 3.97Å; Q377-V415 HydrophobicContact CG-CB 4.43Å; Q377-V415 HydrophobicContact CG-CG2 4.35Å; Q377-V415 WeakPolarHBondContact CG-O 3.4Å; Q377-V415 PolarHBondContact NE2-O 3.33Å; Q377-V415 VanDerWaalsContact NE2-O 3.15Å
378	V	96.8	Very high	95.9	Very high	4 Å²	4	43 Å²	43	2%	0.024	24%	0.241	C	C	.	.	H	α-helix	trans	-59.5	-41.2	174.5	169.2	0	0	0	0	111.5	L373 N374 P375 L381 T382 L389	L373-V378 HydrophobicContact CB-CG2 4.12Å; N374-V378 WeakPolarHBondContact O-CG2 3.24Å; N374-V378 PolarHBondContact O-N 3.47Å; P375-V378 PolarHBondContact O-N 3.44Å; V378-L381 PolarHBondContact O-N 2.91Å; V378-T382 PolarHBondContact O-N 3.28Å; V378-T382 PolarHBondContact O-OG1 3.4Å; V378-L389 HydrophobicContact CB-CD2 4.33Å; V378-L389 HydrophobicContact CB-CG 4.47Å; V378-L389 HydrophobicContact CG1-CD2 3.68Å; V378-L389 HydrophobicContact CG1-CG 3.82Å; V378-L389 HydrophobicContact CG2-CD1 4.05Å; V378-L389 HydrophobicContact CG2-CD2 4.38Å; V378-L389 HydrophobicContact CG2-CG 4.08Å
379	E	96.2	Very high	96	Very high	133 Å²	133	43 Å²	43	62%	0.621	24%	0.241	S	C	*	.	H	α-helix	trans	-63.4	-46.2	177.8	-168.4	162.5	-145.8	0	0	111.5	P375 S376 Q377 L381 T382 S383	P375-E379 WeakPolarHBondContact O-CB 3.44Å; P375-E379 PolarHBondContact O-N 3.07Å; S376-E379 PolarHBondContact O-N 2.93Å; Q377-E379 VanDerWaalsContact C-N 3.29Å; Q377-E379 PolarHBondContact O-N 3.38Å; E379-L381 PolarHBondContact O-N 3.19Å; E379-T382 WeakPolarHBondContact O-CB 3.37Å; E379-T382 PolarHBondContact O-N 3.11Å; E379-T382 VanDerWaalsContact O-N 3.12Å; E379-S383 PolarHBondContact O-N 3.15Å; E379-S383 PolarHBondContact O-OG 3.3Å; E379-S383 VanDerWaalsContact O-OG 3.09Å
380	K	98	Very high	95.9	Very high	100 Å²	100	43.5 Å²	43.5	44%	0.435	24%	0.244	S	C	.	.	H	α-helix	trans	-60.1	-43.8	174	-71	-178.6	-179.9	-176	0	112.9	S376 Q377 T382 S383 E384 V415	S376-K380 WeakPolarHBondContact O-CG 3.44Å; S376-K380 PolarHBondContact O-N 3.24Å; S376-K380 VanDerWaalsContact O-N 3.13Å; Q377-K380 PolarHBondContact O-N 3.34Å; K380-T382 PolarHBondContact O-N 2.7Å; K380-S383 PolarHBondContact O-N 3.42Å; K380-E384 WeakPolarHBondContact O-CB 3.42Å; K380-E384 PolarHBondContact O-N 2.85Å; K380-V415 HydrophobicContact CB-CB 4.48Å; K380-V415 HydrophobicContact CB-CG1 3.67Å; K380-V415 HydrophobicContact CD-CG1 4.27Å
381	L	98.1	Very high	95.8	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-57.3	-39.7	174.6	-74	178.7	0	0	0	111.8	L373 Q377 V378 E379 Y385 S386 I387 L389 A411 I412 V415	L373-L381 HydrophobicContact CD1-CD1 3.56Å; Q377-L381 WeakPolarHBondContact O-CG 3.45Å; Q377-L381 PolarHBondContact O-N 3.32Å; V378-L381 PolarHBondContact O-N 2.91Å; E379-L381 PolarHBondContact O-N 3.19Å; L381-Y385 HydrophobicContact CD2-CD2 4.4Å; L381-Y385 CarbonylContact O-C 3.43Å; L381-Y385 WeakPolarHBondContact O-CA 3.4Å; L381-Y385 WeakPolarHBondContact O-CB 3.5Å; L381-Y385 PolarHBondContact O-N 3.46Å; L381-S386 PolarHBondContact O-N 3.04Å; L381-I387 CarbonylContact C-O 3.55Å; L381-I387 HydrophobicContact CB-CB 4.18Å; L381-I387 HydrophobicContact CB-CG2 4.47Å; L381-I387 HydrophobicContact CD2-CD1 4.21Å; L381-I387 PolarHBondContact O-N 3.37Å; L381-L389 HydrophobicContact CB-CD2 4.23Å; L381-L389 HydrophobicContact CD1-CD1 4.36Å; L381-L389 HydrophobicContact CD1-CD2 4.18Å; L381-A411 HydrophobicContact CD2-CB 3.57Å; L381-I412 HydrophobicContact CD1-CG1 4.25Å; L381-I412 HydrophobicContact CD2-CG1 4.48Å; L381-V415 HydrophobicContact CD1-CG2 4.42Å; L381-V415 HydrophobicContact CD2-CG1 4.1Å; L381-V415 HydrophobicContact CD2-CG2 3.98Å; L381-V415 HydrophobicContact CG-CG1 4.31Å; L381-V415 HydrophobicContact CG-CG2 3.99Å
382	T	96.3	Very high	95.6	Very high	43 Å²	43	53.6 Å²	53.6	26%	0.264	29%	0.292	S	S	.	.	H	α-helix	trans	-71.2	-49.9	178.7	-54	0	0	0	0	111.1	V378 E379 K380 S386 I387 Y388	V378-T382 PolarHBondContact O-N 3.28Å; V378-T382 PolarHBondContact O-OG1 3.4Å; E379-T382 WeakPolarHBondContact O-CB 3.37Å; E379-T382 PolarHBondContact O-N 3.11Å; E379-T382 VanDerWaalsContact O-N 3.12Å; K380-T382 PolarHBondContact O-N 2.7Å; T382-S386 WeakPolarHBondContact O-CA 3.47Å; T382-S386 PolarHBondContact O-N 2.8Å; T382-I387 WeakPolarHBondContact CA-O 3.38Å; T382-I387 PolarHBondContact N-O 3.01Å; T382-I387 PolarHBondContact OG1-O 3.38Å; T382-Y388 HydrophobicContact CG2-CD1 3.82Å; T382-Y388 HydrophobicContact CG2-CE1 3.65Å
383	S	95.9	Very high	95.7	Very high	87 Å²	87	51.2 Å²	51.2	61%	0.608	27%	0.267	S	S	*	.	H	α-helix	trans	-78	-35.8	-171.6	60.3	0	0	0	0	114.4	E379 K380	E379-S383 PolarHBondContact O-N 3.15Å; E379-S383 PolarHBondContact O-OG 3.3Å; E379-S383 VanDerWaalsContact O-OG 3.09Å; K380-S383 PolarHBondContact O-N 3.42Å
384	E	97.7	Very high	95.7	Very high	118 Å²	118	51.5 Å²	51.5	55%	0.551	27%	0.268	S	S	*	.	H	α-helix	trans	-99.2	-27.5	-173.9	-61.6	176.4	-151.9	0	0	112.5	K380	K380-E384 WeakPolarHBondContact O-CB 3.42Å; K380-E384 PolarHBondContact O-N 2.85Å
385	Y	98	Very high	95.7	Very high	37 Å²	37	48.4 Å²	48.4	15%	0.145	25%	0.251	C	S	.	.	H	α-helix	trans	-121.5	0.5	-172.6	-60.5	-88.2	0	0	0	114	L381 I387 Y407 A411 Q414 V415	L381-Y385 HydrophobicContact CD2-CD2 4.4Å; L381-Y385 CarbonylContact O-C 3.43Å; L381-Y385 WeakPolarHBondContact O-CA 3.4Å; L381-Y385 WeakPolarHBondContact O-CB 3.5Å; L381-Y385 PolarHBondContact O-N 3.46Å; Y385-I387 PolarHBondContact O-N 3.01Å; Y385-Y407 WeakPolarHBondContact CA-OH 3.3Å; Y385-Y407 HydrophobicContact CD1-CE2 4.38Å; Y385-Y407 WeakPolarHBondContact O-CE1 3.4Å; Y385-Y407 PolarHBondContact O-OH 2.88Å; Y385-A411 HydrophobicContact CD1-CB 3.54Å; Y385-A411 HydrophobicContact CD2-CB 4.03Å; Y385-A411 HydrophobicContact CE1-CB 4Å; Y385-A411 HydrophobicContact CE2-CB 4.44Å; Y385-A411 HydrophobicContact CG-CB 3.56Å; Y385-Q414 WeakPolarHBondContact OH-CB 3.2Å; Y385-Q414 WeakPolarHBondContact OH-CG 3.36Å; Y385-V415 HydrophobicContact CE2-CG1 4.2Å
386	S	97.9	Very high	95.7	Very high	13 Å²	13	44.5 Å²	44.5	9%	0.091	23%	0.226	C	C	.	.			trans	55.6	35.2	-177	-65.6	0	0	0	0	113.3	D40 N42 K45 I46 L381 T382 Y388	D40-S386 WeakPolarHBondContact OD2-CB 3.13Å; D40-S386 PolarHBondContact OD2-OG 3.3Å; N42-S386 WeakPolarHBondContact CB-OG 3.45Å; N42-S386 WeakPolarHBondContact ND2-CB 3.48Å; N42-S386 PolarHBondContact ND2-OG 2.8Å; K45-S386 CarbonylContact C-O 3.56Å; K45-S386 WeakPolarHBondContact CA-O 3.39Å; I46-S386 PolarHBondContact N-O 2.95Å; L381-S386 PolarHBondContact O-N 3.04Å; T382-S386 WeakPolarHBondContact O-CA 3.47Å; T382-S386 PolarHBondContact O-N 2.8Å; S386-Y388 VanDerWaalsContact O-CD2 3.23Å; S386-Y388 WeakPolarHBondContact O-CD2 3.38Å; S386-Y388 VanDerWaalsContact O-CE2 3.32Å; S386-Y388 WeakPolarHBondContact O-CE2 3.41Å
387	I	97.8	Very high	95.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	113.8	178.9	-64.3	165.7	0	0	0	109.2	I46 L48 L381 T382 Y385 L389 Y407 L408 A411	I46-I387 HydrophobicContact CB-CG1 4.23Å; I46-I387 HydrophobicContact CD1-CG1 4.24Å; I46-I387 HydrophobicContact CG1-CG1 4.3Å; L48-I387 HydrophobicContact CD1-CG2 3.78Å; L48-I387 HydrophobicContact CG-CG2 4.41Å; L381-I387 CarbonylContact C-O 3.55Å; L381-I387 HydrophobicContact CB-CB 4.18Å; L381-I387 HydrophobicContact CB-CG2 4.47Å; L381-I387 HydrophobicContact CD2-CD1 4.21Å; L381-I387 PolarHBondContact O-N 3.37Å; T382-I387 WeakPolarHBondContact CA-O 3.38Å; T382-I387 PolarHBondContact N-O 3.01Å; T382-I387 PolarHBondContact OG1-O 3.38Å; Y385-I387 PolarHBondContact O-N 3.01Å; I387-L389 HydrophobicContact CG2-CD2 4.34Å; I387-L389 WeakPolarHBondContact O-CD2 3.48Å; I387-Y407 HydrophobicContact CD1-CD1 4.3Å; I387-Y407 HydrophobicContact CD1-CE1 4.06Å; I387-Y407 HydrophobicContact CG1-CE1 4.19Å; I387-L408 HydrophobicContact CD1-CD1 3.85Å; I387-L408 HydrophobicContact CG2-CD1 3.75Å; I387-A411 HydrophobicContact CD1-CB 3.4Å
388	Y	95.8	Very high	95.5	Very high	27 Å²	27	39.8 Å²	39.8	11%	0.106	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	114.4	-169.4	-67.7	-90.1	0	0	0	111	A36 Y37 D40 K45 I46 L48 G49 T382 S386	A36-Y388 HydrophobicContact CB-CD1 4.02Å; A36-Y388 HydrophobicContact CB-CE1 3.65Å; Y37-Y388 AromaticContact CD2-CD2 3.83Å; Y37-Y388 HydrophobicContact CD2-CD2 3.83Å; Y37-Y388 HydrophobicContact CD2-CE2 4.35Å; Y37-Y388 HydrophobicContact CG-CD2 4.4Å; D40-Y388 HydrophobicContact CB-CE2 4.13Å; D40-Y388 VanDerWaalsContact CB-OH 3.32Å; D40-Y388 WeakPolarHBondContact CB-OH 3.21Å; D40-Y388 WeakPolarHBondContact OD2-CE2 3.36Å; D40-Y388 PolarHBondContact OD2-OH 3.08Å; K45-Y388 HydrophobicContact CB-CE2 4.4Å; I46-Y388 WeakPolarHBondContact O-CB 3.25Å; I46-Y388 PolarHBondContact O-N 3.3Å; L48-Y388 CarbonylContact C-O 3.58Å; L48-Y388 WeakPolarHBondContact CA-O 3.49Å; L48-Y388 WeakPolarHBondContact CB-O 3.26Å; L48-Y388 PolarHBondContact N-O 3.25Å; G49-Y388 PolarHBondContact N-O 3.24Å; T382-Y388 HydrophobicContact CG2-CD1 3.82Å; T382-Y388 HydrophobicContact CG2-CE1 3.65Å; S386-Y388 VanDerWaalsContact O-CD2 3.23Å; S386-Y388 WeakPolarHBondContact O-CD2 3.38Å; S386-Y388 VanDerWaalsContact O-CE2 3.32Å; S386-Y388 WeakPolarHBondContact O-CE2 3.41Å
389	L	95.1	Very high	95.4	Very high	7 Å²	7	40.3 Å²	40.3	4%	0.037	20%	0.203	C	C	.	.			trans	-144.8	167.8	-179.5	69.2	172.7	0	0	0	110.9	I33 L48 L373 V378 L381 I387 I395	I33-L389 WeakPolarHBondContact CD1-O 3.48Å; L48-L389 HydrophobicContact CB-CB 4.03Å; L373-L389 HydrophobicContact CD1-CD1 4.11Å; V378-L389 HydrophobicContact CB-CD2 4.33Å; V378-L389 HydrophobicContact CB-CG 4.47Å; V378-L389 HydrophobicContact CG1-CD2 3.68Å; V378-L389 HydrophobicContact CG1-CG 3.82Å; V378-L389 HydrophobicContact CG2-CD1 4.05Å; V378-L389 HydrophobicContact CG2-CD2 4.38Å; V378-L389 HydrophobicContact CG2-CG 4.08Å; L381-L389 HydrophobicContact CB-CD2 4.23Å; L381-L389 HydrophobicContact CD1-CD1 4.36Å; L381-L389 HydrophobicContact CD1-CD2 4.18Å; I387-L389 HydrophobicContact CG2-CD2 4.34Å; I387-L389 WeakPolarHBondContact O-CD2 3.48Å; L389-I395 HydrophobicContact CB-CG2 4.14Å; L389-I395 HydrophobicContact CD1-CG2 3.51Å
390	T	92.3	Very high	95.4	Very high	11 Å²	11	34 Å²	34	7%	0.067	17%	0.174	C	C	.	.			trans	-74.6	149.1	179.3	51.9	0	0	0	0	110.9	I30 I33 D392 G393 R394	I30-T390 HydrophobicContact CG1-CG2 4.18Å; I33-T390 HydrophobicContact CD1-CG2 3.52Å; T390-D392 WeakPolarHBondContact CB-OD1 3.22Å; T390-D392 PolarHBondContact O-N 3.35Å; T390-D392 PolarHBondContact OG1-OD1 2.58Å; T390-G393 PolarHBondContact O-N 3.07Å; T390-R394 WeakPolarHBondContact OG1-CB 3.3Å; T390-R394 PolarHBondContact OG1-O 3.4Å
391	K	91.1	Very high	95.3	Very high	162 Å²	162	29.9 Å²	29.9	70%	0.704	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-20.8	-175	-68.9	-168.7	175.2	-168.1	0	114.7	G393	K391-G393 PolarHBondContact O-N 2.89Å
392	D	90	Very high	95.2	Very high	77 Å²	77	33.3 Å²	33.3	41%	0.412	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	6.6	175.3	66.4	-18.3	0	0	0	113.2	Y370 T390 R394	Y370-D392 WeakPolarHBondContact CE1-OD2 3.35Å; Y370-D392 PolarHBondContact OH-OD2 3.22Å; T390-D392 WeakPolarHBondContact CB-OD1 3.22Å; T390-D392 PolarHBondContact O-N 3.35Å; T390-D392 PolarHBondContact OG1-OD1 2.58Å; D392-R394 VanDerWaalsContact C-N 3.28Å; D392-R394 PolarHBondContact O-N 3.09Å; D392-R394 PolarHBondContact OD1-N 2.65Å
393	G	93.1	Very high	95.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.199	C	C	.	.			trans	77.6	8.9	178.1	0	0	0	0	0	114	S371 T390 K391 I395	S371-G393 WeakPolarHBondContact CB-O 3.33Å; S371-G393 PolarHBondContact N-O 3.06Å; S371-G393 PolarHBondContact OG-O 2.83Å; T390-G393 PolarHBondContact O-N 3.07Å; K391-G393 PolarHBondContact O-N 2.89Å; G393-I395 PolarHBondContact O-N 3.25Å
394	R	94.4	Very high	95.2	Very high	15 Å²	15	35.6 Å²	35.6	6%	0.057	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	128.7	173	-164.3	-155.2	67.5	-170.2	0.3	110.6	I30 G49 P201 F368 C369 Y370 T390 D392	I30-R394 VanDerWaalsContact CD1-NH1 3.3Å; G49-R394 PolarHBondContact O-NH2 3.19Å; P201-R394 HydrophobicContact CB-CG 3.88Å; F368-R394 HydrophobicContact CB-CG 4.42Å; F368-R394 HydrophobicContact CD1-CG 4.5Å; C369-R394 CarbonylContact O-C 3.57Å; C369-R394 WeakPolarHBondContact O-CA 3.18Å; Y370-R394 HydrophobicContact CD1-CB 3.7Å; Y370-R394 HydrophobicContact CD1-CG 3.86Å; Y370-R394 HydrophobicContact CE1-CB 3.6Å; Y370-R394 HydrophobicContact CE1-CG 3.88Å; T390-R394 WeakPolarHBondContact OG1-CB 3.3Å; T390-R394 PolarHBondContact OG1-O 3.4Å; D392-R394 VanDerWaalsContact C-N 3.28Å; D392-R394 PolarHBondContact O-N 3.09Å; D392-R394 PolarHBondContact OD1-N 2.65Å
395	I	95.2	Very high	95.3	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	145	171.5	63.6	173.8	0	0	0	110.7	L48 L345 F368 C369 L389 G393 I397	L48-I395 HydrophobicContact CB-CB 4.05Å; L48-I395 HydrophobicContact CB-CG2 4.11Å; L48-I395 HydrophobicContact CD1-CB 4.09Å; L48-I395 HydrophobicContact CD1-CG2 3.68Å; L345-I395 HydrophobicContact CD2-CD1 3.91Å; F368-I395 WeakPolarHBondContact CA-O 3.43Å; C369-I395 HydrophobicContact CB-CD1 4.34Å; C369-I395 HydrophobicContact CB-CG1 3.82Å; C369-I395 PolarHBondContact N-O 3.18Å; C369-I395 PolarHBondContact O-N 3.01Å; L389-I395 HydrophobicContact CB-CG2 4.14Å; L389-I395 HydrophobicContact CD1-CG2 3.51Å; G393-I395 PolarHBondContact O-N 3.25Å; I395-I397 HydrophobicContact CD1-CD1 3.85Å; I395-I397 HydrophobicContact CG1-CD1 4.09Å
396	S	95	Very high	95.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	111	165.5	-175	0	0	0	0	108.4	L48 A50 M367 A398 G399	L48-S396 VanDerWaalsContact O-CB 3.24Å; L48-S396 WeakPolarHBondContact O-CB 3.27Å; L48-S396 PolarHBondContact O-N 3.48Å; A50-S396 WeakPolarHBondContact O-CB 3.31Å; A50-S396 PolarHBondContact O-OG 2.98Å; M367-S396 CarbonylContact O-C 3.52Å; M367-S396 WeakPolarHBondContact O-CA 3.47Å; S396-A398 PolarHBondContact O-N 3.26Å; S396-G399 PolarHBondContact O-N 2.79Å
397	I	96.5	Very high	95.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-61.4	-27.8	176.5	-58.8	-57.8	0	0	0	110.7	I338 M341 R342 M367 C369 I395 G399 L400	I338-I397 HydrophobicContact CB-CG2 4.49Å; I338-I397 HydrophobicContact CD1-CB 4.22Å; I338-I397 HydrophobicContact CD1-CG2 4.02Å; I338-I397 HydrophobicContact CG2-CB 4.29Å; I338-I397 HydrophobicContact CG2-CG2 3.92Å; M341-I397 HydrophobicContact CB-CG2 3.73Å; R342-I397 HydrophobicContact CG-CD1 4.16Å; R342-I397 HydrophobicContact CG-CG1 4.07Å; R342-I397 HydrophobicContact CG-CG2 3.98Å; M367-I397 PolarHBondContact O-N 3.39Å; C369-I397 HydrophobicContact CB-CD1 3.77Å; C369-I397 HydrophobicContact CB-CG1 4.07Å; I395-I397 HydrophobicContact CD1-CD1 3.85Å; I395-I397 HydrophobicContact CG1-CD1 4.09Å; I397-G399 PolarHBondContact O-N 3.16Å; I397-L400 HydrophobicContact CD1-CD1 4.15Å; I397-L400 HydrophobicContact CG2-CD1 4.29Å; I397-L400 VanDerWaalsContact O-CB 3.31Å; I397-L400 WeakPolarHBondContact O-CB 3.47Å; I397-L400 WeakPolarHBondContact O-CG 3.46Å; I397-L400 PolarHBondContact O-N 3.1Å
398	A	94.4	Very high	95.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-61.9	-22.6	174.3	0	0	0	0	0	113.4	Y53 I338 M367 S396 L400	Y53-A398 HydrophobicContact CD2-CB 4.39Å; I338-A398 HydrophobicContact CD1-CB 3.95Å; M367-A398 HydrophobicContact CG-CB 3.81Å; M367-A398 HydrophobicContact SD-CB 4Å; S396-A398 PolarHBondContact O-N 3.26Å; A398-L400 VanDerWaalsContact C-N 3.26Å; A398-L400 PolarHBondContact O-N 3.45Å
399	G	94.4	Very high	95.4	Very high	15 Å²	15	32.6 Å²	32.6	16%	0.155	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-76.2	-10.1	174.5	0	0	0	0	0	114.3	S396 I397 N404	S396-G399 PolarHBondContact O-N 2.79Å; I397-G399 PolarHBondContact O-N 3.16Å; G399-N404 PolarHBondContact O-ND2 3.12Å
400	L	96.1	Very high	95.6	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	18%	0.179	C	C	.	.			trans	-81.1	155.1	173.1	-51.8	-175.7	0	0	0	110.6	L48 R337 M341 L345 I397 A398 N404 L408	L48-L400 HydrophobicContact CD2-CD2 3.63Å; L48-L400 HydrophobicContact CD2-CG 4.46Å; R337-L400 PolarHBondContact NH2-O 3.06Å; M341-L400 HydrophobicContact CB-CB 4.06Å; M341-L400 HydrophobicContact CB-CD1 4.27Å; M341-L400 HydrophobicContact CG-CB 4.09Å; M341-L400 HydrophobicContact SD-CB 3.97Å; L345-L400 HydrophobicContact CB-CD1 4.12Å; L345-L400 HydrophobicContact CD2-CD1 3.93Å; I397-L400 HydrophobicContact CD1-CD1 4.15Å; I397-L400 HydrophobicContact CG2-CD1 4.29Å; I397-L400 VanDerWaalsContact O-CB 3.31Å; I397-L400 WeakPolarHBondContact O-CB 3.47Å; I397-L400 WeakPolarHBondContact O-CG 3.46Å; I397-L400 PolarHBondContact O-N 3.1Å; A398-L400 VanDerWaalsContact C-N 3.26Å; A398-L400 PolarHBondContact O-N 3.45Å; L400-N404 WeakPolarHBondContact CA-OD1 3.44Å; L400-L408 HydrophobicContact CD2-CD2 3.2Å; L400-L408 HydrophobicContact CG-CD2 4.49Å
401	S	96	Very high	95.8	Very high	12 Å²	12	35 Å²	35	8%	0.084	18%	0.176	C	C	.	.			trans	-151.9	165.3	174.7	62.4	0	0	0	0	110.1	D56 K403 N404 V405	D56-S401 WeakPolarHBondContact O-CB 3.45Å; D56-S401 VanDerWaalsContact OD1-CA 3.22Å; D56-S401 WeakPolarHBondContact OD1-CA 3.43Å; D56-S401 WeakPolarHBondContact OD1-CB 3.42Å; S401-K403 PolarHBondContact O-N 3.5Å; S401-K403 PolarHBondContact OG-N 2.92Å; S401-N404 PolarHBondContact N-OD1 2.96Å; S401-N404 PolarHBondContact O-N 2.94Å; S401-N404 PolarHBondContact O-OD1 3.21Å; S401-N404 VanDerWaalsContact OG-CG 3.23Å; S401-N404 PolarHBondContact OG-N 3.48Å; S401-N404 PolarHBondContact OG-OD1 3.41Å; S401-N404 VanDerWaalsContact OG-OD1 3.07Å; S401-V405 WeakPolarHBondContact O-CB 3.41Å; S401-V405 PolarHBondContact O-N 2.9Å; S401-V405 VanDerWaalsContact O-N 3.09Å
402	S	96.2	Very high	96.2	Very high	72 Å²	72	27.3 Å²	27.3	50%	0.503	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-23	171	65.4	0	0	0	0	113.5	D56	D56-S402 PolarHBondContact OD1-N 3.02Å; D56-S402 WeakPolarHBondContact OD2-CB 3.46Å; D56-S402 PolarHBondContact OD2-OG 3.44Å
403	K	96.2	Very high	96.6	Very high	147 Å²	147	25.1 Å²	25.1	64%	0.639	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-19.6	-175.5	-60.9	172.4	-177.1	170.7	0	114.3	N57 S401	N57-K403 PolarHBondContact OD1-NZ 3.31Å; S401-K403 PolarHBondContact O-N 3.5Å; S401-K403 PolarHBondContact OG-N 2.92Å
404	N	97.1	Very high	96.8	Very high	31 Å²	31	27.6 Å²	27.6	17%	0.166	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.7	-10.3	-171.8	75.6	-1.9	0	0	0	114.4	I46 G399 L400 S401 D406 Y407 L408	I46-N404 HydrophobicContact CD1-CB 3.76Å; I46-N404 HydrophobicContact CG1-CB 4.23Å; G399-N404 PolarHBondContact O-ND2 3.12Å; L400-N404 WeakPolarHBondContact CA-OD1 3.44Å; S401-N404 PolarHBondContact N-OD1 2.96Å; S401-N404 PolarHBondContact O-N 2.94Å; S401-N404 PolarHBondContact O-OD1 3.21Å; S401-N404 VanDerWaalsContact OG-CG 3.23Å; S401-N404 PolarHBondContact OG-N 3.48Å; S401-N404 PolarHBondContact OG-OD1 3.41Å; S401-N404 VanDerWaalsContact OG-OD1 3.07Å; N404-D406 VanDerWaalsContact C-N 3.34Å; N404-D406 PolarHBondContact O-N 2.96Å; N404-Y407 PolarHBondContact O-N 3.49Å; N404-L408 PolarHBondContact O-N 3.49Å
405	V	97.7	Very high	96.9	Very high	7 Å²	7	27.6 Å²	27.6	4%	0.042	14%	0.143	C	C	.	.	H	α-helix	trans	-62.4	-39	-176.7	64.9	0	0	0	0	112.8	L345 S401 L408 A409	L345-V405 HydrophobicContact CB-CG2 3.95Å; L345-V405 HydrophobicContact CD1-CG2 4.36Å; S401-V405 WeakPolarHBondContact O-CB 3.41Å; S401-V405 PolarHBondContact O-N 2.9Å; S401-V405 VanDerWaalsContact O-N 3.09Å; V405-L408 PolarHBondContact O-N 3.46Å; V405-A409 WeakPolarHBondContact O-CB 3.39Å; V405-A409 PolarHBondContact O-N 3.29Å
406	D	98.2	Very high	96.9	Very high	76 Å²	76	28.2 Å²	28.2	41%	0.406	15%	0.147	S	C	.	.	H	α-helix	trans	-67.8	-40.3	177.2	-74.4	-15	0	0	0	111.7	S348 N404 L408 A409 H410	S348-D406 WeakPolarHBondContact CB-OD1 3.4Å; S348-D406 PolarHBondContact OG-OD1 3.42Å; N404-D406 VanDerWaalsContact C-N 3.34Å; N404-D406 PolarHBondContact O-N 2.96Å; D406-L408 PolarHBondContact O-N 2.98Å; D406-A409 PolarHBondContact O-N 2.98Å; D406-H410 WeakPolarHBondContact O-CB 3.43Å; D406-H410 PolarHBondContact O-N 3.35Å
407	Y	98.3	Very high	96.6	Very high	49 Å²	49	37.5 Å²	37.5	19%	0.192	19%	0.187	C	C	.	.	H	α-helix	trans	-63.4	-41.9	175.7	-179.7	-111.3	0	0	0	111.8	Q44 I46 Y385 I387 N404 H410 A411	Q44-Y407 HydrophobicContact CB-CD1 4.39Å; Q44-Y407 HydrophobicContact CB-CE1 3.95Å; I46-Y407 HydrophobicContact CD1-CD1 3.9Å; I46-Y407 HydrophobicContact CG1-CD1 4.44Å; Y385-Y407 WeakPolarHBondContact CA-OH 3.3Å; Y385-Y407 HydrophobicContact CD1-CE2 4.38Å; Y385-Y407 WeakPolarHBondContact O-CE1 3.4Å; Y385-Y407 PolarHBondContact O-OH 2.88Å; I387-Y407 HydrophobicContact CD1-CD1 4.3Å; I387-Y407 HydrophobicContact CD1-CE1 4.06Å; I387-Y407 HydrophobicContact CG1-CE1 4.19Å; N404-Y407 PolarHBondContact O-N 3.49Å; Y407-H410 PolarHBondContact O-N 3.49Å; Y407-A411 WeakPolarHBondContact O-CB 3.48Å; Y407-A411 PolarHBondContact O-N 3.23Å
408	L	98.2	Very high	96.6	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-62.5	-47.2	174.2	176.6	62.9	0	0	0	111.6	I46 L48 L345 I387 L400 N404 V405 D406 H410 A411 I412	I46-L408 HydrophobicContact CD1-CB 4.1Å; L48-L408 HydrophobicContact CD1-CD1 3.82Å; L48-L408 HydrophobicContact CD1-CD2 3.81Å; L48-L408 HydrophobicContact CD2-CD2 4.47Å; L345-L408 HydrophobicContact CD1-CD2 3.93Å; L345-L408 HydrophobicContact CD1-CG 4.1Å; L345-L408 HydrophobicContact CD2-CD2 4.22Å; I387-L408 HydrophobicContact CD1-CD1 3.85Å; I387-L408 HydrophobicContact CG2-CD1 3.75Å; L400-L408 HydrophobicContact CD2-CD2 3.2Å; L400-L408 HydrophobicContact CG-CD2 4.49Å; N404-L408 PolarHBondContact O-N 3.49Å; V405-L408 PolarHBondContact O-N 3.46Å; D406-L408 PolarHBondContact O-N 2.98Å; L408-H410 VanDerWaalsContact C-N 3.32Å; L408-H410 PolarHBondContact O-N 2.77Å; L408-A411 PolarHBondContact O-N 3.38Å; L408-I412 HydrophobicContact CD1-CD1 3.75Å; L408-I412 HydrophobicContact CD1-CG1 3.9Å; L408-I412 HydrophobicContact CD2-CD1 4.27Å; L408-I412 HydrophobicContact CG-CD1 3.75Å; L408-I412 HydrophobicContact CG-CG1 4.26Å; L408-I412 WeakPolarHBondContact O-CB 3.34Å; L408-I412 WeakPolarHBondContact O-CG1 3.38Å; L408-I412 PolarHBondContact O-N 3.42Å
409	A	98.2	Very high	96.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-59.6	-44.5	180	0	0	0	0	0	111.4	L345 L349 E352 V405 D406 I412 H413	L345-A409 HydrophobicContact CD1-CB 4.2Å; L349-A409 HydrophobicContact CD2-CB 4.16Å; L349-A409 WeakPolarHBondContact CD2-O 3.49Å; L349-A409 HydrophobicContact CG-CB 4.03Å; E352-A409 HydrophobicContact CG-CB 4.45Å; V405-A409 WeakPolarHBondContact O-CB 3.39Å; V405-A409 PolarHBondContact O-N 3.29Å; D406-A409 PolarHBondContact O-N 2.98Å; A409-I412 PolarHBondContact O-N 2.89Å; A409-H413 WeakPolarHBondContact O-CB 3.27Å; A409-H413 PolarHBondContact O-N 2.85Å
410	H	98.4	Very high	96.8	Very high	67 Å²	67	42.9 Å²	42.9	31%	0.31	21%	0.21	S	C	.	.	H	α-helix	trans	-56.6	-52.1	173.9	179	72.8	0	0	0	111.7	E352 D406 Y407 L408 I412 H413 Q414	E352-H410 HydrophobicContact CG-CB 4.43Å; E352-H410 IonicContact OE2-CE1 3.43Å; E352-H410 IonicContact OE2-CG 2.71Å; E352-H410 IonicContact OE2-ND1 3.31Å; E352-H410 PolarHBondContact OE2-ND1 3.02Å; D406-H410 WeakPolarHBondContact O-CB 3.43Å; D406-H410 PolarHBondContact O-N 3.35Å; Y407-H410 PolarHBondContact O-N 3.49Å; L408-H410 VanDerWaalsContact C-N 3.32Å; L408-H410 PolarHBondContact O-N 2.77Å; H410-I412 PolarHBondContact O-N 3.36Å; H410-H413 PolarHBondContact O-N 3.43Å; H410-Q414 WeakPolarHBondContact O-CG 3.09Å; H410-Q414 PolarHBondContact O-N 2.58Å
411	A	98.2	Very high	96.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.7	-43.7	-179.7	0	0	0	0	0	112.4	L381 Y385 I387 Y407 L408 H413 Q414 V415	L381-A411 HydrophobicContact CD2-CB 3.57Å; Y385-A411 HydrophobicContact CD1-CB 3.54Å; Y385-A411 HydrophobicContact CD2-CB 4.03Å; Y385-A411 HydrophobicContact CE1-CB 4Å; Y385-A411 HydrophobicContact CE2-CB 4.44Å; Y385-A411 HydrophobicContact CG-CB 3.56Å; I387-A411 HydrophobicContact CD1-CB 3.4Å; Y407-A411 WeakPolarHBondContact O-CB 3.48Å; Y407-A411 PolarHBondContact O-N 3.23Å; L408-A411 PolarHBondContact O-N 3.38Å; A411-H413 VanDerWaalsContact C-N 3.34Å; A411-H413 PolarHBondContact O-N 2.83Å; A411-Q414 PolarHBondContact O-N 3.26Å; A411-V415 PolarHBondContact O-N 3.43Å; A411-V415 VanDerWaalsContact O-N 3.16Å
412	I	98.1	Very high	96.9	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-59.8	-45.4	175.1	-72.5	176.9	0	0	0	110.4	L345 L349 W358 L373 L381 L408 A409 H410 Q414 V415 T416	L345-I412 HydrophobicContact CD1-CD1 4.44Å; L349-I412 HydrophobicContact CD2-CB 3.82Å; L349-I412 HydrophobicContact CD2-CG2 3.5Å; W358-I412 HydrophobicContact CH2-CG2 3.69Å; W358-I412 HydrophobicContact CZ2-CG2 3.87Å; W358-I412 HydrophobicContact CZ3-CG2 4.44Å; L373-I412 HydrophobicContact CD1-CD1 4.44Å; L373-I412 HydrophobicContact CD1-CG1 4.25Å; L373-I412 HydrophobicContact CD2-CG2 4.35Å; L381-I412 HydrophobicContact CD1-CG1 4.25Å; L381-I412 HydrophobicContact CD2-CG1 4.48Å; L408-I412 HydrophobicContact CD1-CD1 3.75Å; L408-I412 HydrophobicContact CD1-CG1 3.9Å; L408-I412 HydrophobicContact CD2-CD1 4.27Å; L408-I412 HydrophobicContact CG-CD1 3.75Å; L408-I412 HydrophobicContact CG-CG1 4.26Å; L408-I412 WeakPolarHBondContact O-CB 3.34Å; L408-I412 WeakPolarHBondContact O-CG1 3.38Å; L408-I412 PolarHBondContact O-N 3.42Å; A409-I412 PolarHBondContact O-N 2.89Å; H410-I412 PolarHBondContact O-N 3.36Å; I412-Q414 PolarHBondContact O-N 2.81Å; I412-V415 WeakPolarHBondContact O-CG2 3.49Å; I412-V415 PolarHBondContact O-N 3.48Å; I412-T416 HydrophobicContact CG2-CG2 4.25Å; I412-T416 WeakPolarHBondContact O-CB 3.35Å; I412-T416 VanDerWaalsContact O-CG2 3.26Å; I412-T416 WeakPolarHBondContact O-CG2 3.38Å; I412-T416 PolarHBondContact O-N 3.1Å; I412-T416 VanDerWaalsContact O-N 3.11Å; I412-T416 PolarHBondContact O-OG1 3.01Å
413	H	97.8	Very high	97	Very high	30 Å²	30	45.7 Å²	45.7	14%	0.139	21%	0.212	C	C	.	.	H	α-helix	trans	-60	-45.3	177.5	-179.5	53.2	0	0	0	111.4	E352 A409 H410 A411 V415 T416 K417	E352-H413 HydrophobicContact CB-CB 4.06Å; E352-H413 PolarHBondContact O-CD2 3.4Å; E352-H413 PolarHBondContact O-NE2 3.25Å; A409-H413 WeakPolarHBondContact O-CB 3.27Å; A409-H413 PolarHBondContact O-N 2.85Å; H410-H413 PolarHBondContact O-N 3.43Å; A411-H413 VanDerWaalsContact C-N 3.34Å; A411-H413 PolarHBondContact O-N 2.83Å; H413-V415 VanDerWaalsContact C-N 3.31Å; H413-V415 PolarHBondContact O-N 2.89Å; H413-T416 PolarHBondContact O-N 3.41Å; H413-T416 PolarHBondContact O-OG1 3.34Å; H413-K417 WeakPolarHBondContact O-CB 3.35Å; H413-K417 PolarHBondContact O-N 2.92Å
414	Q	98.1	Very high	97	Very high	53 Å²	53	38.5 Å²	38.5	25%	0.248	18%	0.181	C	C	.	.	H	α-helix	trans	-62.3	-33.1	179.7	-66.6	-49.7	-48.3	0	0	114.1	Y385 H410 A411 I412 K417	Y385-Q414 WeakPolarHBondContact OH-CB 3.2Å; Y385-Q414 WeakPolarHBondContact OH-CG 3.36Å; H410-Q414 WeakPolarHBondContact O-CG 3.09Å; H410-Q414 PolarHBondContact O-N 2.58Å; A411-Q414 PolarHBondContact O-N 3.26Å; I412-Q414 PolarHBondContact O-N 2.81Å; Q414-K417 WeakPolarHBondContact O-CE 3.32Å
415	V	97	Very high	97	Very high	15 Å²	15	39.1 Å²	39.1	9%	0.091	18%	0.183	C	C	.	.	H	α-helix	trans	-88.5	-10.3	179.1	-54.6	0	0	0	0	113.6	L373 Q377 K380 L381 Y385 A411 I412 H413	L373-V415 HydrophobicContact CD2-CG2 4.44Å; Q377-V415 HydrophobicContact CB-CB 4.32Å; Q377-V415 HydrophobicContact CB-CG2 3.97Å; Q377-V415 HydrophobicContact CG-CB 4.43Å; Q377-V415 HydrophobicContact CG-CG2 4.35Å; Q377-V415 WeakPolarHBondContact CG-O 3.4Å; Q377-V415 PolarHBondContact NE2-O 3.33Å; Q377-V415 VanDerWaalsContact NE2-O 3.15Å; K380-V415 HydrophobicContact CB-CB 4.48Å; K380-V415 HydrophobicContact CB-CG1 3.67Å; K380-V415 HydrophobicContact CD-CG1 4.27Å; L381-V415 HydrophobicContact CD1-CG2 4.42Å; L381-V415 HydrophobicContact CD2-CG1 4.1Å; L381-V415 HydrophobicContact CD2-CG2 3.98Å; L381-V415 HydrophobicContact CG-CG1 4.31Å; L381-V415 HydrophobicContact CG-CG2 3.99Å; Y385-V415 HydrophobicContact CE2-CG1 4.2Å; A411-V415 PolarHBondContact O-N 3.43Å; A411-V415 VanDerWaalsContact O-N 3.16Å; I412-V415 WeakPolarHBondContact O-CG2 3.49Å; I412-V415 PolarHBondContact O-N 3.48Å; H413-V415 VanDerWaalsContact C-N 3.31Å; H413-V415 PolarHBondContact O-N 2.89Å
416	T	95.4	Very high	96.9	Very high	14 Å²	14	41.8 Å²	41.8	9%	0.086	19%	0.194	C	C	.	.	H	α-helix	trans	-111.2	-10.5	-178.4	56.9	0	0	0	0	114.6	H356 W358 L373 I412 H413	H356-T416 PolarHBondContact NE2-O 3.14Å; W358-T416 HydrophobicContact CH2-CG2 4.15Å; W358-T416 HydrophobicContact CZ2-CG2 4.36Å; L373-T416 HydrophobicContact CD2-CG2 3.49Å; L373-T416 VanDerWaalsContact CD2-CG2 3.49Å; I412-T416 HydrophobicContact CG2-CG2 4.25Å; I412-T416 WeakPolarHBondContact O-CB 3.35Å; I412-T416 VanDerWaalsContact O-CG2 3.26Å; I412-T416 WeakPolarHBondContact O-CG2 3.38Å; I412-T416 PolarHBondContact O-N 3.1Å; I412-T416 VanDerWaalsContact O-N 3.11Å; I412-T416 PolarHBondContact O-OG1 3.01Å; H413-T416 PolarHBondContact O-N 3.41Å; H413-T416 PolarHBondContact O-OG1 3.34Å
417	K	87.5	Confident	96.8	Very high	194 Å²	194	38.6 Å²	38.6	84%	0.843	18%	0.175	S	C	*	.			trans	-60.8	0	179.9	69	-175.7	177.5	-175.2	0	114.5	H413 Q414	H413-K417 WeakPolarHBondContact O-CB 3.35Å; H413-K417 PolarHBondContact O-N 2.92Å; Q414-K417 WeakPolarHBondContact O-CE 3.32Å

Retrieved 417 of 417 residues in 285.3 ms (Link to these results)

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