A0A077ZHX6_TRITR Loading...

protein-serine/threonine phosphatase

AlphaFold DB , UniProt , Accession A0A077ZHX6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 356 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	34.7	Very low	32.9	Very low	248 Å²	248	158.3 Å²	158.3	100%	1.222	87%	0.871	S	S	*	*				0	116.5	0	-86.3	-176.6	174.9	0	0	107.8
2	T	30.3	Very low	33.1	Very low	152 Å²	152	159.1 Å²	159.1	93%	0.933	87%	0.873	S	S	*	*			trans	-66.8	125	174.2	-35.7	0	0	0	0	109.4
3	A	34.3	Very low	33.1	Very low	84 Å²	84	154 Å²	154	69%	0.694	86%	0.856	S	S	*	*			trans	-163.9	130	155.3	0	0	0	0	0	111.5
4	L	34.8	Very low	33.2	Very low	168 Å²	168	153.1 Å²	153.1	88%	0.88	85%	0.847	S	S	*	*			trans	87.1	74.4	151.6	-65	149	0	0	0	118.1	G6	L4-G6 PolarHBondContact O-N 3.37Å
5	L	31	Very low	33.1	Very low	178 Å²	178	153.2 Å²	153.2	93%	0.932	84%	0.843	S	S	*	*			trans	-65.7	105.6	139.2	-73.8	160.9	0	0	0	107.9
6	G	32.8	Very low	33.1	Very low	70 Å²	70	155.1 Å²	155.1	72%	0.722	84%	0.841	S	S	*	*			trans	-85.1	115.6	170.5	0	0	0	0	0	110	L4	L4-G6 PolarHBondContact O-N 3.37Å
7	E	34.6	Very low	33.1	Very low	195 Å²	195	150.7 Å²	150.7	91%	0.911	82%	0.824	S	S	*	*			trans	-62.2	144.9	177	-75.7	177.8	148.1	0	0	113.1	G9	E7-G9 PolarHBondContact O-N 2.85Å
8	I	30.8	Very low	33.5	Very low	164 Å²	164	150.2 Å²	150.2	84%	0.841	83%	0.829	S	S	*	*			trans	-69.9	112.1	175.3	-64.2	162.5	0	0	0	108.4
9	G	33.8	Very low	33.5	Very low	70 Å²	70	148.2 Å²	148.2	72%	0.722	83%	0.827	S	S	*	*			trans	-98.8	98.3	168.6	0	0	0	0	0	110.9	E7 R11	E7-G9 PolarHBondContact O-N 2.85Å; G9-R11 PolarHBondContact O-N 3.08Å
10	E	32.9	Very low	33.4	Very low	184 Å²	184	145.7 Å²	145.7	86%	0.86	82%	0.819	S	S	*	*			trans	-65.1	110.2	161.4	-76.7	179.9	154.8	0	0	109.1
11	R	32.3	Very low	33.3	Very low	228 Å²	228	149.6 Å²	149.6	86%	0.86	82%	0.821	S	S	*	*			trans	-138	71.1	166.8	-76.8	-166.6	-179	-169.4	2	110.6	G9 S13	G9-R11 PolarHBondContact O-N 3.08Å; R11-S13 VanDerWaalsContact C-N 3.34Å; R11-S13 PolarHBondContact O-N 3.36Å
12	D	34.8	Very low	33.5	Very low	168 Å²	168	143.4 Å²	143.4	90%	0.898	80%	0.799	S	S	*	*			trans	-94.4	70.5	159.2	-75.8	-23.7	0	0	0	109.2	I14	D12-I14 PolarHBondContact O-N 2.9Å
13	S	32.4	Very low	34	Very low	93 Å²	93	143.5 Å²	143.5	65%	0.65	79%	0.793	S	S	*	*			trans	-80	103.6	162.3	55.3	0	0	0	0	108.1	R11 I15	R11-S13 VanDerWaalsContact C-N 3.34Å; R11-S13 PolarHBondContact O-N 3.36Å; S13-I15 PolarHBondContact O-N 3.16Å
14	I	34.5	Very low	34.6	Very low	142 Å²	142	148.1 Å²	148.1	73%	0.728	80%	0.8	S	S	*	*			trans	-61.7	107.1	174.2	-63.2	172.2	0	0	0	108.5	D12 F16	D12-I14 PolarHBondContact O-N 2.9Å; I14-F16 HydrophobicContact CG2-CE2 4.5Å; I14-F16 PolarHBondContact O-N 2.74Å
15	I	32.9	Very low	35.6	Very low	154 Å²	154	145.8 Å²	145.8	79%	0.79	79%	0.785	S	S	*	*			trans	-78	108.4	173.3	-63.3	168.2	0	0	0	107.5	S13 S17	S13-I15 PolarHBondContact O-N 3.16Å; I15-S17 PolarHBondContact O-N 3.35Å
16	F	32.8	Very low	37.4	Very low	184 Å²	184	145.8 Å²	145.8	81%	0.807	78%	0.777	S	S	*	*			trans	-67.6	123.1	168.5	-73.8	-85.7	0	0	0	109.4	I14	I14-F16 HydrophobicContact CG2-CE2 4.5Å; I14-F16 PolarHBondContact O-N 2.74Å
17	S	32.9	Very low	39.8	Very low	80 Å²	80	145 Å²	145	56%	0.559	76%	0.76	S	S	*	*			trans	-73.5	144.7	176.5	70.3	0	0	0	0	111.2	I15 S19	I15-S17 PolarHBondContact O-N 3.35Å; S17-S19 VanDerWaalsContact C-N 3.3Å; S17-S19 PolarHBondContact O-N 2.97Å
18	P	39.8	Very low	42.4	Very low	141 Å²	141	136.8 Å²	136.8	92%	0.916	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	4.7	-167.6	-10.7	28.5	0	0	0	115.5
19	S	33.7	Very low	45.3	Very low	112 Å²	112	133.6 Å²	133.6	78%	0.783	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.1	2.6	-174.1	59.7	0	0	0	0	115.1	S17	S17-S19 VanDerWaalsContact C-N 3.3Å; S17-S19 PolarHBondContact O-N 2.97Å
20	C	31.4	Very low	47.9	Very low	99 Å²	99	137.2 Å²	137.2	67%	0.669	70%	0.703	S	S	*	*			trans	-92.3	102.5	170.3	-129.1	0	0	0	0	108.9
21	R	31.5	Very low	50.5	Low	228 Å²	228	134.8 Å²	134.8	86%	0.86	70%	0.696	S	S	*	*			trans	-48.6	126.9	158.6	-84	-173.7	-99.3	-150.1	-5	106.4	L23	R21-L23 PolarHBondContact O-N 2.83Å
22	P	38	Very low	53.3	Low	117 Å²	117	125.5 Å²	125.5	76%	0.76	67%	0.668	S	S	*	*			trans	-54.8	115.1	175.9	-16.7	27.3	0	0	0	105.4	E24	P22-E24 PolarHBondContact O-N 3.47Å
23	L	42.1	Very low	56.1	Low	155 Å²	155	117.7 Å²	117.7	81%	0.812	63%	0.626	S	S	*	*			trans	-52	105.6	161.7	-79.1	158.4	0	0	0	103.3	R21 Q25	R21-L23 PolarHBondContact O-N 2.83Å; L23-Q25 VanDerWaalsContact C-N 3.32Å; L23-Q25 WeakPolarHBondContact O-CA 3.04Å; L23-Q25 PolarHBondContact O-N 3.22Å
24	E	46.7	Very low	58.9	Low	180 Å²	180	114.7 Å²	114.7	84%	0.841	60%	0.602	S	S	*	*			trans	-44.5	110.5	169	-76.2	-178.3	162.1	0	0	104.7	P22 K26	P22-E24 PolarHBondContact O-N 3.47Å; E24-K26 VanDerWaalsContact C-N 3.25Å; E24-K26 PolarHBondContact O-N 3.45Å
25	Q	55.4	Low	61.5	Low	119 Å²	119	110.6 Å²	110.6	56%	0.556	59%	0.589	S	S	*	*			trans	-69.3	94.7	-159.6	-160.3	165.3	11.1	0	0	105.5	L23 C27	L23-Q25 VanDerWaalsContact C-N 3.32Å; L23-Q25 WeakPolarHBondContact O-CA 3.04Å; L23-Q25 PolarHBondContact O-N 3.22Å; Q25-C27 PolarHBondContact O-N 3.49Å; Q25-C27 PolarHBondContact O-SG 3.18Å; Q25-C27 VanDerWaalsContact O-SG 3.37Å
26	K	70.1	Confident	64.4	Low	178 Å²	178	103.8 Å²	103.8	77%	0.774	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-49	122.1	-176.8	-74.9	-173.6	175.2	-175.5	0	106.4	E24 L56	E24-K26 VanDerWaalsContact C-N 3.25Å; E24-K26 PolarHBondContact O-N 3.45Å; K26-L56 HydrophobicContact CB-CD1 4.09Å; K26-L56 WeakPolarHBondContact O-CD1 3.45Å
27	C	82.9	Confident	67.2	Low	53 Å²	53	95 Å²	95	36%	0.358	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-94.6	152.2	171	-62.3	0	0	0	0	107.2	Q25 D29 S60 K63	Q25-C27 PolarHBondContact O-N 3.49Å; Q25-C27 PolarHBondContact O-SG 3.18Å; Q25-C27 VanDerWaalsContact O-SG 3.37Å; C27-D29 PolarHBondContact O-N 2.72Å; C27-S60 WeakPolarHBondContact CA-OG 3.42Å; C27-K63 WeakPolarHBondContact SG-CD 3.44Å; C27-K63 PolarHBondContact SG-NZ 3.19Å; C27-K63 VanDerWaalsContact SG-NZ 3.44Å
28	L	89.2	Confident	69.9	Low	24 Å²	24	92 Å²	92	13%	0.126	50%	0.496	C	S	.	.	P	Polyproline II helix	trans	-61.6	125.7	169	-73.4	172.5	0	0	0	109.6	A32 T33 L36 L56 I57 S60 L128 L131	L28-A32 HydrophobicContact CD2-CB 3.85Å; L28-T33 WeakPolarHBondContact CB-OG1 3.26Å; L28-L36 HydrophobicContact CD1-CD1 3.96Å; L28-L36 HydrophobicContact CD2-CD1 3.58Å; L28-L36 HydrophobicContact CG-CD1 4.46Å; L28-L56 HydrophobicContact CD2-CD2 3.51Å; L28-L56 HydrophobicContact CD2-CG 3.64Å; L28-L56 HydrophobicContact CG-CD2 4.28Å; L28-L56 HydrophobicContact CG-CG 3.86Å; L28-I57 HydrophobicContact CD1-CB 4.37Å; L28-I57 HydrophobicContact CD1-CG1 3.81Å; L28-S60 PolarHBondContact N-OG 2.73Å; L28-L128 HydrophobicContact CD1-CD2 4.03Å; L28-L131 HydrophobicContact CD1-CD1 4.01Å
29	D	90.3	Very high	72.3	Confident	97 Å²	97	88.5 Å²	88.5	52%	0.519	46%	0.464	S	S	.	.			trans	-79.1	174.5	161.8	62.1	46.8	0	0	0	110.3	C27 D31 A32 T33	C27-D29 PolarHBondContact O-N 2.72Å; D29-D31 VanDerWaalsContact C-N 3.34Å; D29-D31 PolarHBondContact O-N 3.27Å; D29-D31 PolarHBondContact OD1-N 2.99Å; D29-D31 VanDerWaalsContact OD1-N 3.14Å; D29-A32 VanDerWaalsContact OD1-CB 3.25Å; D29-A32 WeakPolarHBondContact OD1-CB 3.38Å; D29-A32 PolarHBondContact OD1-N 3.03Å; D29-T33 WeakPolarHBondContact O-CB 3.23Å; D29-T33 PolarHBondContact O-N 3.18Å; D29-T33 PolarHBondContact O-OG1 3.17Å
30	K	88.9	Confident	75.1	Confident	145 Å²	145	83.3 Å²	83.3	63%	0.63	43%	0.428	S	S	*	.	H	α-helix	trans	-63	-40.7	-176.8	-70	-179.2	179.3	176	0	112.1	T33 E34	K30-T33 PolarHBondContact O-N 3.01Å; K30-E34 WeakPolarHBondContact O-CG 3.49Å; K30-E34 PolarHBondContact O-N 3.42Å
31	D	88.3	Confident	77.8	Confident	133 Å²	133	78.6 Å²	78.6	71%	0.711	40%	0.396	S	S	*	.	H	α-helix	trans	-71.7	-42	-175	-63.7	-20.2	0	0	0	110.9	D29 T33 E34 A35	D29-D31 VanDerWaalsContact C-N 3.34Å; D29-D31 PolarHBondContact O-N 3.27Å; D29-D31 PolarHBondContact OD1-N 2.99Å; D29-D31 VanDerWaalsContact OD1-N 3.14Å; D31-T33 VanDerWaalsContact C-N 3.33Å; D31-T33 PolarHBondContact O-N 3.32Å; D31-E34 PolarHBondContact O-N 2.85Å; D31-A35 WeakPolarHBondContact O-CB 3.49Å; D31-A35 PolarHBondContact O-N 3.34Å
32	A	91.6	Very high	80.4	Confident	34 Å²	34	68.5 Å²	68.5	28%	0.281	36%	0.359	S	S	.	.	H	α-helix	trans	-63.2	-39.4	172.6	0	0	0	0	0	111.7	L28 D29 A35 L36	L28-A32 HydrophobicContact CD2-CB 3.85Å; D29-A32 VanDerWaalsContact OD1-CB 3.25Å; D29-A32 WeakPolarHBondContact OD1-CB 3.38Å; D29-A32 PolarHBondContact OD1-N 3.03Å; A32-A35 PolarHBondContact O-N 2.9Å; A32-L36 WeakPolarHBondContact O-CB 3.4Å; A32-L36 VanDerWaalsContact O-CG 3.3Å; A32-L36 WeakPolarHBondContact O-CG 3.31Å; A32-L36 PolarHBondContact O-N 3.25Å
33	T	93.2	Very high	82.3	Confident	3 Å²	3	67.6 Å²	67.6	2%	0.018	34%	0.343	C	S	.	.	H	α-helix	trans	-63.2	-45.2	175.5	-53.5	0	0	0	0	111.1	L28 D29 K30 D31 L36 L37 L128 L131 R132	L28-T33 WeakPolarHBondContact CB-OG1 3.26Å; D29-T33 WeakPolarHBondContact O-CB 3.23Å; D29-T33 PolarHBondContact O-N 3.18Å; D29-T33 PolarHBondContact O-OG1 3.17Å; K30-T33 PolarHBondContact O-N 3.01Å; D31-T33 VanDerWaalsContact C-N 3.33Å; D31-T33 PolarHBondContact O-N 3.32Å; T33-L36 PolarHBondContact O-N 2.84Å; T33-L37 HydrophobicContact CG2-CD1 4.42Å; T33-L37 WeakPolarHBondContact O-CG 3.37Å; T33-L37 PolarHBondContact O-N 3.47Å; T33-L128 HydrophobicContact CG2-CB 4.45Å; T33-L128 HydrophobicContact CG2-CD2 3.98Å; T33-L128 WeakPolarHBondContact CG2-O 3.24Å; T33-L131 HydrophobicContact CG2-CB 4.29Å; T33-R132 HydrophobicContact CG2-CB 3.81Å
34	E	90.4	Very high	84	Confident	31 Å²	31	66.1 Å²	66.1	15%	0.145	33%	0.332	C	S	.	.	H	α-helix	trans	-64	-41.6	177.6	-74.1	-67.5	176.9	0	0	112.8	K30 D31 L36 L37 A38 R132 Y133 Y340	K30-E34 WeakPolarHBondContact O-CG 3.49Å; K30-E34 PolarHBondContact O-N 3.42Å; D31-E34 PolarHBondContact O-N 2.85Å; E34-L36 VanDerWaalsContact C-N 3.3Å; E34-L36 PolarHBondContact O-N 3.49Å; E34-L37 PolarHBondContact O-N 2.89Å; E34-A38 PolarHBondContact O-N 3.39Å; E34-R132 WeakPolarHBondContact OE1-CD 3.49Å; E34-R132 VanDerWaalsContact OE1-CG 3.27Å; E34-R132 WeakPolarHBondContact OE1-CG 3.5Å; E34-R132 IonicContact OE1-CZ 3.71Å; E34-R132 IonicContact OE1-NE 3.36Å; E34-R132 PolarHBondContact OE1-NE 3.44Å; E34-R132 IonicContact OE1-NH2 3.14Å; E34-R132 PolarHBondContact OE1-NH2 2.89Å; E34-Y133 PolarHBondContact OE1-OH 2.67Å; E34-Y340 WeakPolarHBondContact OE2-CE2 3.47Å; E34-Y340 VanDerWaalsContact OE2-CZ 3.22Å; E34-Y340 PolarHBondContact OE2-OH 2.87Å
35	A	90.1	Very high	85.5	Confident	56 Å²	56	59.3 Å²	59.3	46%	0.463	30%	0.303	S	S	.	.	H	α-helix	trans	-62.4	-38	175.3	0	0	0	0	0	112.3	D31 A32 R39	D31-A35 WeakPolarHBondContact O-CB 3.49Å; D31-A35 PolarHBondContact O-N 3.34Å; A32-A35 PolarHBondContact O-N 2.9Å; A35-R39 WeakPolarHBondContact O-CG 3.12Å; A35-R39 PolarHBondContact O-N 3.43Å
36	L	93.3	Very high	86.6	Confident	10 Å²	10	53.8 Å²	53.8	5%	0.052	28%	0.277	C	S	.	.	H	α-helix	trans	-71.5	-39.9	175.5	-72.2	168.9	0	0	0	112.1	L28 A32 T33 E34 R39 V40 I49 E53 I57 L128	L28-L36 HydrophobicContact CD1-CD1 3.96Å; L28-L36 HydrophobicContact CD2-CD1 3.58Å; L28-L36 HydrophobicContact CG-CD1 4.46Å; A32-L36 WeakPolarHBondContact O-CB 3.4Å; A32-L36 VanDerWaalsContact O-CG 3.3Å; A32-L36 WeakPolarHBondContact O-CG 3.31Å; A32-L36 PolarHBondContact O-N 3.25Å; T33-L36 PolarHBondContact O-N 2.84Å; E34-L36 VanDerWaalsContact C-N 3.3Å; E34-L36 PolarHBondContact O-N 3.49Å; L36-R39 PolarHBondContact O-N 3.21Å; L36-V40 WeakPolarHBondContact O-CG2 3.4Å; L36-V40 PolarHBondContact O-N 3.33Å; L36-I49 HydrophobicContact CD2-CD1 3.75Å; L36-E53 HydrophobicContact CD2-CB 4.22Å; L36-E53 HydrophobicContact CD2-CG 4.19Å; L36-I57 HydrophobicContact CD1-CD1 4.08Å; L36-I57 HydrophobicContact CD1-CG1 3.92Å; L36-L128 HydrophobicContact CB-CD1 3.9Å; L36-L128 HydrophobicContact CB-CD2 3.77Å; L36-L128 HydrophobicContact CD1-CD2 4.13Å
37	L	92.4	Very high	87	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-57.1	-51.1	174.3	-80.9	170.3	0	0	0	111.3	T33 E34 R39 V40 L41 L125 L128 L129 R132 Y340	T33-L37 HydrophobicContact CG2-CD1 4.42Å; T33-L37 WeakPolarHBondContact O-CG 3.37Å; T33-L37 PolarHBondContact O-N 3.47Å; E34-L37 PolarHBondContact O-N 2.89Å; L37-R39 PolarHBondContact O-N 3.24Å; L37-V40 PolarHBondContact O-N 3.17Å; L37-V40 VanDerWaalsContact O-N 3.16Å; L37-L41 WeakPolarHBondContact O-CG 3.26Å; L37-L41 PolarHBondContact O-N 3.16Å; L37-L125 HydrophobicContact CD2-CD1 3.84Å; L37-L128 HydrophobicContact CD2-CB 3.36Å; L37-L128 HydrophobicContact CD2-CD1 4.28Å; L37-L128 HydrophobicContact CD2-CG 4.45Å; L37-L128 HydrophobicContact CG-CB 3.75Å; L37-L128 HydrophobicContact CG-CD1 4.47Å; L37-L129 HydrophobicContact CD1-CD2 4.38Å; L37-L129 HydrophobicContact CD2-CD2 3.87Å; L37-L129 HydrophobicContact CD2-CG 3.9Å; L37-R132 HydrophobicContact CD1-CB 3.97Å; L37-R132 HydrophobicContact CD1-CG 4.1Å; L37-Y340 WeakPolarHBondContact CB-OH 3.41Å; L37-Y340 HydrophobicContact CD1-CE2 4.34Å
38	A	88.9	Confident	87.2	Confident	16 Å²	16	56 Å²	56	13%	0.132	28%	0.281	C	S	.	.	H	α-helix	trans	-56.8	-35.4	178.2	0	0	0	0	0	112.2	E34 I42 V333 P337	E34-A38 PolarHBondContact O-N 3.39Å; A38-I42 WeakPolarHBondContact O-CD1 3.46Å; A38-V333 HydrophobicContact CB-CG1 4.03Å; A38-V333 WeakPolarHBondContact O-CG1 3.46Å; A38-P337 HydrophobicContact CB-CB 4.3Å
39	R	90.2	Very high	87.4	Confident	69 Å²	69	55.2 Å²	55.2	26%	0.26	28%	0.276	S	S	.	.	H	α-helix	trans	-76.1	-38.5	177.4	-75.6	172.8	58.3	-163.3	-4.4	113.7	A35 L36 L37 L41 I42 T45 A46 K48 E53	A35-R39 WeakPolarHBondContact O-CG 3.12Å; A35-R39 PolarHBondContact O-N 3.43Å; L36-R39 PolarHBondContact O-N 3.21Å; L37-R39 PolarHBondContact O-N 3.24Å; R39-L41 VanDerWaalsContact C-N 3.3Å; R39-I42 PolarHBondContact O-N 3.48Å; R39-T45 WeakPolarHBondContact CA-OG1 3.11Å; R39-T45 CarbonylContact O-C 3.54Å; R39-T45 PolarHBondContact O-OG1 3.39Å; R39-A46 PolarHBondContact O-N 3.39Å; R39-K48 PolarHBondContact NH2-O 3.12Å; R39-K48 VanDerWaalsContact NH2-O 3.1Å; R39-E53 IonicContact CZ-OE1 3.69Å; R39-E53 IonicContact CZ-OE2 2.61Å; R39-E53 IonicContact NH1-OE1 3.48Å; R39-E53 PolarHBondContact NH1-OE1 3.37Å; R39-E53 IonicContact NH1-OE2 3.65Å; R39-E53 IonicContact NH2-OE1 2.81Å; R39-E53 PolarHBondContact NH2-OE1 3.29Å; R39-E53 IonicContact NH2-OE2 2.79Å; R39-E53 PolarHBondContact NH2-OE2 3.08Å
40	V	91.4	Very high	87.7	Confident	2 Å²	2	54 Å²	54	1%	0.012	27%	0.273	C	S	.	.	H	α-helix	trans	-70.7	-30.2	179.8	170.9	0	0	0	0	111.3	L36 L37 I42 A46 I49 F88 T124 L125 L128	L36-V40 WeakPolarHBondContact O-CG2 3.4Å; L36-V40 PolarHBondContact O-N 3.33Å; L37-V40 PolarHBondContact O-N 3.17Å; L37-V40 VanDerWaalsContact O-N 3.16Å; V40-I42 PolarHBondContact O-N 2.84Å; V40-A46 WeakPolarHBondContact O-CB 3.49Å; V40-I49 HydrophobicContact CG2-CD1 3.95Å; V40-I49 HydrophobicContact CG2-CG1 4.08Å; V40-F88 HydrophobicContact CG1-CE2 4.39Å; V40-F88 HydrophobicContact CG1-CZ 4.44Å; V40-F88 WeakPolarHBondContact O-CZ 3.44Å; V40-T124 HydrophobicContact CG2-CG2 3.98Å; V40-L125 HydrophobicContact CG1-CB 3.94Å; V40-L125 HydrophobicContact CG1-CD1 4.48Å; V40-L128 HydrophobicContact CB-CD1 4.29Å; V40-L128 HydrophobicContact CG2-CD1 3.74Å
41	L	89.9	Confident	88	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-8.8	176.2	-68.9	174.6	0	0	0	114.5	L37 R39 L92 W100 L125 E330 V333 Y340 L343	L37-L41 WeakPolarHBondContact O-CG 3.26Å; L37-L41 PolarHBondContact O-N 3.16Å; R39-L41 VanDerWaalsContact C-N 3.3Å; L41-L92 HydrophobicContact CD2-CD2 3.69Å; L41-W100 HydrophobicContact CD1-CH2 4.37Å; L41-W100 HydrophobicContact CD1-CZ3 4.24Å; L41-W100 HydrophobicContact CD2-CH2 3.47Å; L41-W100 VanDerWaalsContact CD2-CH2 3.47Å; L41-W100 HydrophobicContact CD2-CZ3 3.81Å; L41-L125 HydrophobicContact CD2-CD1 3.75Å; L41-L125 HydrophobicContact CD2-CD2 3.88Å; L41-L125 HydrophobicContact CG-CD1 4.23Å; L41-E330 WeakPolarHBondContact O-CG 3.47Å; L41-V333 HydrophobicContact CB-CG1 4.41Å; L41-V333 HydrophobicContact CB-CG2 4.05Å; L41-V333 HydrophobicContact CD1-CG2 3.89Å; L41-Y340 HydrophobicContact CD1-CD1 4.07Å; L41-Y340 HydrophobicContact CD1-CE1 3.62Å; L41-L343 HydrophobicContact CD1-CD1 4.28Å
42	I	85.4	Confident	88.4	Confident	17 Å²	17	45.7 Å²	45.7	9%	0.087	25%	0.248	C	C	.	.	S	Bend	trans	-112.8	115.3	175.3	-60.8	162.3	0	0	0	108.3	A38 R39 V40 E44 T45 A46 V333 K334	A38-I42 WeakPolarHBondContact O-CD1 3.46Å; R39-I42 PolarHBondContact O-N 3.48Å; V40-I42 PolarHBondContact O-N 2.84Å; I42-E44 HydrophobicContact CG2-CB 4.24Å; I42-E44 PolarHBondContact O-N 3.07Å; I42-E44 VanDerWaalsContact O-N 3.11Å; I42-T45 WeakPolarHBondContact CB-OG1 3.16Å; I42-T45 CarbonylContact O-C 3.57Å; I42-T45 PolarHBondContact O-N 2.81Å; I42-T45 PolarHBondContact O-OG1 3.2Å; I42-T45 VanDerWaalsContact O-OG1 3.1Å; I42-A46 WeakPolarHBondContact O-CB 3.33Å; I42-A46 PolarHBondContact O-N 3Å; I42-V333 HydrophobicContact CD1-CG1 3.99Å; I42-V333 HydrophobicContact CG1-CB 4.41Å; I42-V333 HydrophobicContact CG1-CG1 4.17Å; I42-K334 HydrophobicContact CD1-CG 3.59Å; I42-K334 HydrophobicContact CG1-CG 4.22Å
43	K	78.7	Confident	88.6	Confident	97 Å²	97	46.2 Å²	46.2	42%	0.422	25%	0.245	S	C	.	.	H	α-helix	trans	-53.2	-39.1	-174.2	-173.6	173.6	-173.7	168	0	113.5	T45 K47 E330	K43-T45 VanDerWaalsContact C-N 3.31Å; K43-T45 PolarHBondContact O-N 3.15Å; K43-K47 PolarHBondContact O-N 3.06Å; K43-E330 WeakPolarHBondContact CB-OE1 3.31Å; K43-E330 PolarHBondContact N-OE1 3.25Å
44	E	77.5	Confident	88.8	Confident	125 Å²	125	46.1 Å²	46.1	58%	0.584	24%	0.244	S	C	*	.	H	α-helix	trans	-63	-33.6	178.6	-64	173.9	142.8	0	0	113.2	I42 K48 K334	I42-E44 HydrophobicContact CG2-CB 4.24Å; I42-E44 PolarHBondContact O-N 3.07Å; I42-E44 VanDerWaalsContact O-N 3.11Å; E44-K48 WeakPolarHBondContact O-CE 3.31Å; E44-K334 IonicContact OE2-NZ 2.74Å; E44-K334 PolarHBondContact OE2-NZ 2.69Å; E44-K334 VanDerWaalsContact OE2-NZ 3.14Å
45	T	78	Confident	89.1	Confident	37 Å²	37	48.5 Å²	48.5	23%	0.227	25%	0.252	C	S	.	.	H	α-helix	trans	-99	-23.8	-179.5	50	0	0	0	0	113	R39 I42 K43 K47 K48	R39-T45 WeakPolarHBondContact CA-OG1 3.11Å; R39-T45 CarbonylContact O-C 3.54Å; R39-T45 PolarHBondContact O-OG1 3.39Å; I42-T45 WeakPolarHBondContact CB-OG1 3.16Å; I42-T45 CarbonylContact O-C 3.57Å; I42-T45 PolarHBondContact O-N 2.81Å; I42-T45 PolarHBondContact O-OG1 3.2Å; I42-T45 VanDerWaalsContact O-OG1 3.1Å; K43-T45 VanDerWaalsContact C-N 3.31Å; K43-T45 PolarHBondContact O-N 3.15Å; T45-K47 VanDerWaalsContact C-N 3.27Å; T45-K47 PolarHBondContact O-N 2.95Å; T45-K48 CarbonylContact O-C 3.47Å; T45-K48 WeakPolarHBondContact O-CA 3.09Å; T45-K48 WeakPolarHBondContact O-CB 3.44Å; T45-K48 PolarHBondContact O-N 3.47Å
46	A	77.6	Confident	89.4	Confident	2 Å²	2	48.3 Å²	48.3	2%	0.017	24%	0.243	C	C	.	.	H	α-helix	trans	-58.6	-42.1	173.2	0	0	0	0	0	110.7	R39 V40 I42 K48 I49 E121 R162	R39-A46 PolarHBondContact O-N 3.39Å; V40-A46 WeakPolarHBondContact O-CB 3.49Å; I42-A46 WeakPolarHBondContact O-CB 3.33Å; I42-A46 PolarHBondContact O-N 3Å; A46-K48 PolarHBondContact O-N 3.38Å; A46-I49 WeakPolarHBondContact O-CG1 3.24Å; A46-I49 PolarHBondContact O-N 2.89Å; A46-E121 HydrophobicContact CB-CG 4.35Å; A46-R162 PolarHBondContact O-NH2 2.82Å
47	K	79.8	Confident	89.6	Confident	135 Å²	135	47.8 Å²	47.8	59%	0.587	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-10.8	174.7	-66.7	-172.2	177.2	-169.4	0	114.2	K43 T45	K43-K47 PolarHBondContact O-N 3.06Å; T45-K47 VanDerWaalsContact C-N 3.27Å; T45-K47 PolarHBondContact O-N 2.95Å
48	K	87.1	Confident	89.9	Confident	142 Å²	142	47.9 Å²	47.9	62%	0.617	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.9	10.4	179.5	-60.1	178.5	-176.8	175.6	0	113.1	R39 E44 T45 A46 T50	R39-K48 PolarHBondContact NH2-O 3.12Å; R39-K48 VanDerWaalsContact NH2-O 3.1Å; E44-K48 WeakPolarHBondContact O-CE 3.31Å; T45-K48 CarbonylContact O-C 3.47Å; T45-K48 WeakPolarHBondContact O-CA 3.09Å; T45-K48 WeakPolarHBondContact O-CB 3.44Å; T45-K48 PolarHBondContact O-N 3.47Å; A46-K48 PolarHBondContact O-N 3.38Å; K48-T50 PolarHBondContact O-N 3.34Å
49	I	93.3	Very high	90.3	Very high	8 Å²	8	51.9 Å²	51.9	4%	0.041	25%	0.252	C	S	.	.			trans	-57.9	125.1	166.4	-65.8	-65.6	0	0	0	107.7	L36 V40 A46 E53 M54 F163	L36-I49 HydrophobicContact CD2-CD1 3.75Å; V40-I49 HydrophobicContact CG2-CD1 3.95Å; V40-I49 HydrophobicContact CG2-CG1 4.08Å; A46-I49 WeakPolarHBondContact O-CG1 3.24Å; A46-I49 PolarHBondContact O-N 2.89Å; I49-E53 HydrophobicContact CG2-CB 4.08Å; I49-M54 HydrophobicContact CG2-CB 4.21Å; I49-M54 HydrophobicContact CG2-CE 3.96Å; I49-F163 HydrophobicContact CG2-CZ 4.3Å; I49-F163 WeakPolarHBondContact O-CE1 3.44Å
50	T	94.9	Very high	90.7	Very high	71 Å²	71	48.9 Å²	48.9	44%	0.436	24%	0.242	S	C	.	.			trans	-82	161.3	-178.6	65.5	0	0	0	0	111	K48 G52 E53 M54	K48-T50 PolarHBondContact O-N 3.34Å; T50-G52 PolarHBondContact O-N 2.87Å; T50-E53 PolarHBondContact N-OE2 2.9Å; T50-E53 PolarHBondContact O-N 2.94Å; T50-E53 WeakPolarHBondContact OG1-CB 3.5Å; T50-E53 VanDerWaalsContact OG1-CD 3.3Å; T50-E53 VanDerWaalsContact OG1-CG 3.23Å; T50-E53 WeakPolarHBondContact OG1-CG 3.29Å; T50-E53 PolarHBondContact OG1-N 2.84Å; T50-E53 PolarHBondContact OG1-OE2 2.9Å; T50-E53 VanDerWaalsContact OG1-OE2 3.1Å; T50-M54 PolarHBondContact O-N 3.29Å
51	V	96.6	Very high	91.1	Very high	56 Å²	56	48.9 Å²	48.9	34%	0.339	24%	0.242	S	C	.	.	H	α-helix	trans	-55.3	-39.9	172.5	176.9	0	0	0	0	111.3	M54 R55 F163 I167	V51-M54 PolarHBondContact O-N 3.1Å; V51-R55 WeakPolarHBondContact O-CG 3.48Å; V51-R55 PolarHBondContact O-N 2.72Å; V51-F163 HydrophobicContact CG2-CD1 3.99Å; V51-I167 HydrophobicContact CG1-CD1 4Å; V51-I167 HydrophobicContact CG1-CG1 4.17Å
52	G	95.7	Very high	91.5	Very high	48 Å²	48	50.9 Å²	50.9	50%	0.495	25%	0.253	S	S	.	.	H	α-helix	trans	-64.9	-43.1	178.5	0	0	0	0	0	112.9	T50 L56	T50-G52 PolarHBondContact O-N 2.87Å; G52-L56 WeakPolarHBondContact O-CB 3.39Å; G52-L56 PolarHBondContact O-N 2.86Å; G52-L56 VanDerWaalsContact O-N 3.08Å
53	E	95.9	Very high	92.1	Very high	45 Å²	45	56.5 Å²	56.5	21%	0.21	28%	0.276	C	S	.	.	H	α-helix	trans	-65.7	-44.4	175.5	-71.5	164.3	158.1	0	0	111.5	L36 R39 I49 T50 R55 L56 I57	L36-E53 HydrophobicContact CD2-CB 4.22Å; L36-E53 HydrophobicContact CD2-CG 4.19Å; R39-E53 IonicContact CZ-OE1 3.69Å; R39-E53 IonicContact CZ-OE2 2.61Å; R39-E53 IonicContact NH1-OE1 3.48Å; R39-E53 PolarHBondContact NH1-OE1 3.37Å; R39-E53 IonicContact NH1-OE2 3.65Å; R39-E53 IonicContact NH2-OE1 2.81Å; R39-E53 PolarHBondContact NH2-OE1 3.29Å; R39-E53 IonicContact NH2-OE2 2.79Å; R39-E53 PolarHBondContact NH2-OE2 3.08Å; I49-E53 HydrophobicContact CG2-CB 4.08Å; T50-E53 PolarHBondContact N-OE2 2.9Å; T50-E53 PolarHBondContact O-N 2.94Å; T50-E53 WeakPolarHBondContact OG1-CB 3.5Å; T50-E53 VanDerWaalsContact OG1-CD 3.3Å; T50-E53 VanDerWaalsContact OG1-CG 3.23Å; T50-E53 WeakPolarHBondContact OG1-CG 3.29Å; T50-E53 PolarHBondContact OG1-N 2.84Å; T50-E53 PolarHBondContact OG1-OE2 2.9Å; T50-E53 VanDerWaalsContact OG1-OE2 3.1Å; E53-R55 PolarHBondContact O-N 3.37Å; E53-L56 WeakPolarHBondContact O-CB 3.06Å; E53-L56 PolarHBondContact O-N 2.79Å; E53-L56 VanDerWaalsContact O-N 3.11Å; E53-I57 VanDerWaalsContact O-CG1 3.32Å; E53-I57 WeakPolarHBondContact O-CG1 3.36Å; E53-I57 PolarHBondContact O-N 2.92Å
54	M	97.2	Very high	93	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-60	-45.7	177.5	-174.7	51.1	71.2	0	0	111.5	I49 T50 V51 L56 I57 L58 V120 T124 F163 I167 F171	I49-M54 HydrophobicContact CG2-CB 4.21Å; I49-M54 HydrophobicContact CG2-CE 3.96Å; T50-M54 PolarHBondContact O-N 3.29Å; V51-M54 PolarHBondContact O-N 3.1Å; M54-L56 VanDerWaalsContact C-N 3.28Å; M54-L56 PolarHBondContact O-N 2.8Å; M54-I57 PolarHBondContact O-N 2.7Å; M54-L58 HydrophobicContact CG-CD1 3.9Å; M54-L58 HydrophobicContact CG-CG 4.37Å; M54-L58 VanDerWaalsContact O-CG 3.31Å; M54-L58 WeakPolarHBondContact O-CG 3.48Å; M54-L58 PolarHBondContact O-N 2.87Å; M54-L58 HydrophobicContact SD-CD1 4.05Å; M54-L58 HydrophobicContact SD-CD2 4.45Å; M54-L58 HydrophobicContact SD-CG 3.99Å; M54-V120 HydrophobicContact CE-CG1 4.01Å; M54-T124 HydrophobicContact CE-CG2 4.09Å; M54-T124 VanDerWaalsContact CE-OG1 3.29Å; M54-T124 WeakPolarHBondContact CE-OG1 3.5Å; M54-F163 HydrophobicContact CB-CE1 4.3Å; M54-F163 HydrophobicContact CB-CZ 4.19Å; M54-F163 HydrophobicContact CE-CE2 3.81Å; M54-F163 HydrophobicContact CE-CZ 3.75Å; M54-F163 HydrophobicContact CG-CE2 4.16Å; M54-F163 HydrophobicContact CG-CZ 4.22Å; M54-I167 HydrophobicContact CG-CG2 3.79Å; M54-F171 HydrophobicContact CE-CZ 4.14Å; M54-F171 HydrophobicContact CG-CE2 4.39Å; M54-F171 HydrophobicContact CG-CZ 4.48Å; M54-F171 HydrophobicContact SD-CE1 4.43Å; M54-F171 HydrophobicContact SD-CE2 4.11Å; M54-F171 HydrophobicContact SD-CZ 3.63Å
55	R	97.4	Very high	94	Very high	82 Å²	82	48.4 Å²	48.4	31%	0.309	24%	0.24	S	C	.	.	H	α-helix	trans	-58.5	-40.7	173.9	-74	-171.8	170.6	124.3	4.1	112.5	V51 E53 L58 R59 I167 E170	V51-R55 WeakPolarHBondContact O-CG 3.48Å; V51-R55 PolarHBondContact O-N 2.72Å; E53-R55 PolarHBondContact O-N 3.37Å; R55-L58 PolarHBondContact O-N 3.4Å; R55-R59 VanDerWaalsContact O-CB 3.26Å; R55-R59 WeakPolarHBondContact O-CB 3.35Å; R55-R59 WeakPolarHBondContact O-CD 3.49Å; R55-R59 WeakPolarHBondContact O-CG 3.35Å; R55-R59 PolarHBondContact O-N 2.99Å; R55-I167 HydrophobicContact CG-CD1 3.48Å; R55-I167 VanDerWaalsContact CG-CD1 3.48Å; R55-E170 WeakPolarHBondContact CD-OE1 3.42Å; R55-E170 WeakPolarHBondContact CG-OE1 3.16Å; R55-E170 IonicContact CZ-OE1 3.78Å; R55-E170 IonicContact NE-OE1 3.22Å; R55-E170 PolarHBondContact NE-OE1 3.14Å
56	L	96.8	Very high	94.9	Very high	51 Å²	51	50.2 Å²	50.2	27%	0.267	25%	0.248	S	C	.	.	H	α-helix	trans	-64.8	-42.8	179	-177.5	58	0	0	0	111.4	K26 L28 G52 E53 M54 S60	K26-L56 HydrophobicContact CB-CD1 4.09Å; K26-L56 WeakPolarHBondContact O-CD1 3.45Å; L28-L56 HydrophobicContact CD2-CD2 3.51Å; L28-L56 HydrophobicContact CD2-CG 3.64Å; L28-L56 HydrophobicContact CG-CD2 4.28Å; L28-L56 HydrophobicContact CG-CG 3.86Å; G52-L56 WeakPolarHBondContact O-CB 3.39Å; G52-L56 PolarHBondContact O-N 2.86Å; G52-L56 VanDerWaalsContact O-N 3.08Å; E53-L56 WeakPolarHBondContact O-CB 3.06Å; E53-L56 PolarHBondContact O-N 2.79Å; E53-L56 VanDerWaalsContact O-N 3.11Å; M54-L56 VanDerWaalsContact C-N 3.28Å; M54-L56 PolarHBondContact O-N 2.8Å; L56-S60 VanDerWaalsContact O-CB 3.28Å; L56-S60 WeakPolarHBondContact O-CB 3.18Å; L56-S60 PolarHBondContact O-N 3.05Å; L56-S60 PolarHBondContact O-OG 2.93Å
57	I	97.9	Very high	95.8	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-60.3	-52.5	173.9	-64.9	164.7	0	0	0	110.6	L28 L36 E53 M54 R59 S60 S61 T124 L127 L128	L28-I57 HydrophobicContact CD1-CB 4.37Å; L28-I57 HydrophobicContact CD1-CG1 3.81Å; L36-I57 HydrophobicContact CD1-CD1 4.08Å; L36-I57 HydrophobicContact CD1-CG1 3.92Å; E53-I57 VanDerWaalsContact O-CG1 3.32Å; E53-I57 WeakPolarHBondContact O-CG1 3.36Å; E53-I57 PolarHBondContact O-N 2.92Å; M54-I57 PolarHBondContact O-N 2.7Å; I57-R59 PolarHBondContact O-N 2.85Å; I57-S60 PolarHBondContact O-N 3.45Å; I57-S61 WeakPolarHBondContact O-CB 3.18Å; I57-S61 PolarHBondContact O-N 3.4Å; I57-S61 PolarHBondContact O-OG 2.82Å; I57-T124 HydrophobicContact CD1-CG2 3.85Å; I57-L127 HydrophobicContact CG2-CB 4.12Å; I57-L127 HydrophobicContact CG2-CD1 4.1Å; I57-L128 HydrophobicContact CD1-CD1 4.44Å; I57-L128 HydrophobicContact CD1-CD2 4.17Å; I57-L128 HydrophobicContact CD1-CG 4.44Å; I57-L128 HydrophobicContact CG1-CD2 3.98Å; I57-L128 HydrophobicContact CG2-CD2 4.5Å
58	L	98.5	Very high	96.7	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-64.6	-42.6	-176.1	-67.1	173.4	0	0	0	112.3	M54 R55 S61 L62 L127 I167 E170 F171 V174	M54-L58 HydrophobicContact CG-CD1 3.9Å; M54-L58 HydrophobicContact CG-CG 4.37Å; M54-L58 VanDerWaalsContact O-CG 3.31Å; M54-L58 WeakPolarHBondContact O-CG 3.48Å; M54-L58 PolarHBondContact O-N 2.87Å; M54-L58 HydrophobicContact SD-CD1 4.05Å; M54-L58 HydrophobicContact SD-CD2 4.45Å; M54-L58 HydrophobicContact SD-CG 3.99Å; R55-L58 PolarHBondContact O-N 3.4Å; L58-S61 PolarHBondContact O-N 2.57Å; L58-L62 VanDerWaalsContact O-CB 3.3Å; L58-L62 WeakPolarHBondContact O-CB 3.47Å; L58-L62 PolarHBondContact O-N 3.43Å; L58-L127 HydrophobicContact CD2-CD1 3.9Å; L58-I167 HydrophobicContact CD1-CG2 4.34Å; L58-E170 HydrophobicContact CB-CB 4.48Å; L58-E170 HydrophobicContact CD1-CB 3.68Å; L58-F171 HydrophobicContact CD1-CD1 4.47Å; L58-F171 HydrophobicContact CD1-CD2 4.02Å; L58-F171 HydrophobicContact CD1-CE2 4.11Å; L58-F171 HydrophobicContact CD1-CG 4.21Å; L58-F171 HydrophobicContact CD1-CZ 4.37Å; L58-F171 HydrophobicContact CD2-CD1 3.5Å; L58-F171 HydrophobicContact CD2-CD2 4.49Å; L58-F171 HydrophobicContact CD2-CE1 3.58Å; L58-F171 HydrophobicContact CD2-CG 3.99Å; L58-F171 HydrophobicContact CD2-CZ 4.12Å; L58-V174 HydrophobicContact CB-CG2 4.13Å; L58-V174 HydrophobicContact CD2-CG2 3.88Å; L58-V174 WeakPolarHBondContact O-CG2 3.34Å
59	R	97.6	Very high	97.2	Very high	99 Å²	99	47 Å²	47	37%	0.374	25%	0.251	S	S	.	.	H	α-helix	trans	-69.1	-37.9	178.6	-70	168	-178	-162.4	-3.7	112.5	R55 I57 S61 K63 E170	R55-R59 VanDerWaalsContact O-CB 3.26Å; R55-R59 WeakPolarHBondContact O-CB 3.35Å; R55-R59 WeakPolarHBondContact O-CD 3.49Å; R55-R59 WeakPolarHBondContact O-CG 3.35Å; R55-R59 PolarHBondContact O-N 2.99Å; I57-R59 PolarHBondContact O-N 2.85Å; R59-S61 VanDerWaalsContact C-N 3.34Å; R59-K63 WeakPolarHBondContact O-CB 3.18Å; R59-K63 PolarHBondContact O-N 3.19Å; R59-E170 IonicContact CZ-OE2 3.16Å; R59-E170 IonicContact NE-OE2 2.69Å; R59-E170 PolarHBondContact NE-OE2 3.34Å; R59-E170 IonicContact NH2-OE2 2.77Å
60	S	98.1	Very high	97.5	Very high	7 Å²	7	46.9 Å²	46.9	5%	0.049	25%	0.25	C	S	.	.	H	α-helix	trans	-63.9	-43.1	173.9	-57.1	0	0	0	0	110.8	C27 L28 L56 I57 K63 F64	C27-S60 WeakPolarHBondContact CA-OG 3.42Å; L28-S60 PolarHBondContact N-OG 2.73Å; L56-S60 VanDerWaalsContact O-CB 3.28Å; L56-S60 WeakPolarHBondContact O-CB 3.18Å; L56-S60 PolarHBondContact O-N 3.05Å; L56-S60 PolarHBondContact O-OG 2.93Å; I57-S60 PolarHBondContact O-N 3.45Å; S60-K63 PolarHBondContact O-N 3.29Å; S60-F64 WeakPolarHBondContact O-CB 3.36Å; S60-F64 PolarHBondContact O-N 2.94Å
61	S	98.4	Very high	97.7	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.007	23%	0.234	C	C	.	.	H	α-helix	trans	-64.3	-46.6	176.7	-55.9	0	0	0	0	111.9	I57 L58 R59 K63 F64 F65	I57-S61 WeakPolarHBondContact O-CB 3.18Å; I57-S61 PolarHBondContact O-N 3.4Å; I57-S61 PolarHBondContact O-OG 2.82Å; L58-S61 PolarHBondContact O-N 2.57Å; R59-S61 VanDerWaalsContact C-N 3.34Å; S61-K63 VanDerWaalsContact C-N 3.33Å; S61-K63 PolarHBondContact O-N 3.4Å; S61-F64 WeakPolarHBondContact O-CB 3.32Å; S61-F64 PolarHBondContact O-N 3.45Å; S61-F64 VanDerWaalsContact O-N 3.14Å; S61-F65 WeakPolarHBondContact O-CD2 3.48Å; S61-F65 PolarHBondContact O-N 3.21Å
62	L	98.5	Very high	97.8	Very high	43 Å²	43	41.9 Å²	41.9	23%	0.225	22%	0.219	C	C	.	.	H	α-helix	trans	-56.1	-47.1	175.5	177.2	59.7	0	0	0	111.3	L58 F64 N66 H173 V174 V177	L58-L62 VanDerWaalsContact O-CB 3.3Å; L58-L62 WeakPolarHBondContact O-CB 3.47Å; L58-L62 PolarHBondContact O-N 3.43Å; L62-F64 VanDerWaalsContact C-N 3.34Å; L62-F64 PolarHBondContact O-N 3.46Å; L62-N66 WeakPolarHBondContact CD1-ND2 3.22Å; L62-N66 WeakPolarHBondContact O-CB 3.25Å; L62-N66 PolarHBondContact O-N 3.47Å; L62-N66 VanDerWaalsContact O-N 3.1Å; L62-N66 PolarHBondContact O-ND2 3.45Å; L62-H173 HydrophobicContact CD1-CB 4.49Å; L62-H173 WeakPolarHBondContact CD1-O 3.23Å; L62-H173 HydrophobicContact CD2-CB 4.29Å; L62-V174 HydrophobicContact CB-CG2 4.22Å; L62-V177 HydrophobicContact CD1-CB 4.34Å; L62-V177 HydrophobicContact CD1-CG1 3.75Å; L62-V177 HydrophobicContact CD1-CG2 3.61Å
63	K	98	Very high	97.9	Very high	134 Å²	134	44.2 Å²	44.2	58%	0.583	22%	0.22	S	C	*	.	H	α-helix	trans	-61.1	-43.8	176.4	-175.6	-178.3	178.2	-179.9	0	111.6	C27 R59 S60 S61	C27-K63 WeakPolarHBondContact SG-CD 3.44Å; C27-K63 PolarHBondContact SG-NZ 3.19Å; C27-K63 VanDerWaalsContact SG-NZ 3.44Å; R59-K63 WeakPolarHBondContact O-CB 3.18Å; R59-K63 PolarHBondContact O-N 3.19Å; S60-K63 PolarHBondContact O-N 3.29Å; S61-K63 VanDerWaalsContact C-N 3.33Å; S61-K63 PolarHBondContact O-N 3.4Å
64	F	97.7	Very high	98	Very high	52 Å²	52	42.1 Å²	42.1	23%	0.228	21%	0.211	C	C	.	.	H	α-helix	trans	-61.2	-55.8	178.4	-176.3	-78.9	0	0	0	111.4	S60 S61 L62 N66 T67 E68 K130 L131 P134	S60-F64 WeakPolarHBondContact O-CB 3.36Å; S60-F64 PolarHBondContact O-N 2.94Å; S61-F64 WeakPolarHBondContact O-CB 3.32Å; S61-F64 PolarHBondContact O-N 3.45Å; S61-F64 VanDerWaalsContact O-N 3.14Å; L62-F64 VanDerWaalsContact C-N 3.34Å; L62-F64 PolarHBondContact O-N 3.46Å; F64-N66 VanDerWaalsContact C-N 3.26Å; F64-N66 PolarHBondContact O-N 2.89Å; F64-T67 PolarHBondContact O-N 3.05Å; F64-T67 PolarHBondContact O-OG1 2.82Å; F64-E68 HydrophobicContact CE1-CB 4.27Å; F64-E68 PolarHBondContact O-N 3.14Å; F64-K130 HydrophobicContact CE1-CD 4.32Å; F64-K130 HydrophobicContact CE1-CG 4.41Å; F64-L131 HydrophobicContact CB-CD2 3.96Å; F64-L131 HydrophobicContact CD2-CD2 4.38Å; F64-L131 HydrophobicContact CG-CD2 4.29Å; F64-P134 HydrophobicContact CE2-CB 3.6Å; F64-P134 HydrophobicContact CE2-CG 4.44Å; F64-P134 HydrophobicContact CZ-CB 3.51Å
65	F	98.5	Very high	98.1	Very high	1 Å²	1	45.3 Å²	45.3	0%	0.004	23%	0.233	C	C	.	.	H	α-helix	trans	-67.4	-23.8	-175	-73.8	-59.8	0	0	0	113.8	S61 T67 E68 L127 K130 L139 V174 V177 L178 K210	S61-F65 WeakPolarHBondContact O-CD2 3.48Å; S61-F65 PolarHBondContact O-N 3.21Å; F65-T67 PolarHBondContact O-N 2.54Å; F65-E68 WeakPolarHBondContact CD1-OE2 3.33Å; F65-E68 VanDerWaalsContact CE1-OE2 3.24Å; F65-E68 WeakPolarHBondContact CE1-OE2 3.42Å; F65-E68 PolarHBondContact O-N 3.02Å; F65-L127 HydrophobicContact CE2-CD2 3.66Å; F65-L127 HydrophobicContact CZ-CD2 4.31Å; F65-K130 HydrophobicContact CE1-CD 4.49Å; F65-K130 HydrophobicContact CE1-CG 4.19Å; F65-K130 HydrophobicContact CZ-CG 3.82Å; F65-L139 HydrophobicContact CZ-CD1 4.06Å; F65-V174 HydrophobicContact CD2-CG1 4.12Å; F65-V174 HydrophobicContact CE2-CG1 4.27Å; F65-V177 HydrophobicContact CB-CB 4.13Å; F65-V177 HydrophobicContact CB-CG2 3.49Å; F65-V177 VanDerWaalsContact CB-CG2 3.49Å; F65-V177 HydrophobicContact CG-CG2 4.45Å; F65-L178 HydrophobicContact CD1-CD2 4.21Å; F65-L178 HydrophobicContact CD2-CD2 4.08Å; F65-L178 HydrophobicContact CE1-CD2 3.93Å; F65-L178 HydrophobicContact CE2-CD2 3.79Å; F65-L178 HydrophobicContact CG-CD2 4.29Å; F65-L178 HydrophobicContact CZ-CD2 3.72Å; F65-K210 PolarHBondContact O-NZ 2.81Å
66	N	97.8	Very high	98.1	Very high	75 Å²	75	43.1 Å²	43.1	40%	0.401	23%	0.225	S	C	.	.	H	α-helix	trans	-63.3	-24.4	169.3	-85.2	-55.8	0	0	0	113.2	L62 F64 V177	L62-N66 WeakPolarHBondContact CD1-ND2 3.22Å; L62-N66 WeakPolarHBondContact O-CB 3.25Å; L62-N66 PolarHBondContact O-N 3.47Å; L62-N66 VanDerWaalsContact O-N 3.1Å; L62-N66 PolarHBondContact O-ND2 3.45Å; F64-N66 VanDerWaalsContact C-N 3.26Å; F64-N66 PolarHBondContact O-N 2.89Å; N66-V177 WeakPolarHBondContact OD1-CG1 3.44Å
67	T	97.1	Very high	98.1	Very high	116 Å²	116	43.6 Å²	43.6	71%	0.712	23%	0.231	S	C	*	.	H	α-helix	trans	-95.8	-20.2	178.2	67.3	0	0	0	0	113.7	F64 F65	F64-T67 PolarHBondContact O-N 3.05Å; F64-T67 PolarHBondContact O-OG1 2.82Å; F65-T67 PolarHBondContact O-N 2.54Å
68	E	97.8	Very high	98.1	Very high	24 Å²	24	43.6 Å²	43.6	11%	0.112	23%	0.231	C	C	.	.	S	Bend	trans	-74.7	146.5	175.6	-164.4	163.6	-130.8	0	0	109.6	F64 F65 L72 K130 P179 K210	F64-E68 HydrophobicContact CE1-CB 4.27Å; F64-E68 PolarHBondContact O-N 3.14Å; F65-E68 WeakPolarHBondContact CD1-OE2 3.33Å; F65-E68 VanDerWaalsContact CE1-OE2 3.24Å; F65-E68 WeakPolarHBondContact CE1-OE2 3.42Å; F65-E68 PolarHBondContact O-N 3.02Å; E68-L72 HydrophobicContact CG-CD2 3.48Å; E68-L72 VanDerWaalsContact CG-CD2 3.48Å; E68-K130 WeakPolarHBondContact OE1-CE 3.43Å; E68-K130 IonicContact OE1-NZ 3.82Å; E68-K130 PolarHBondContact OE1-NZ 3.11Å; E68-K130 WeakPolarHBondContact OE2-CE 3.14Å; E68-K130 IonicContact OE2-NZ 3.18Å; E68-P179 HydrophobicContact CG-CG 4.41Å; E68-K210 VanDerWaalsContact O-CE 3.3Å; E68-K210 WeakPolarHBondContact O-CE 3.4Å; E68-K210 PolarHBondContact O-NZ 3.3Å
69	P	98.3	Very high	98	Very high	70 Å²	70	43.5 Å²	43.5	46%	0.455	23%	0.23	S	C	.	.			trans	-68.8	160.2	178.6	26.8	-35.5	0	0	0	112.8	L71 L72	P69-L71 VanDerWaalsContact C-N 3.33Å; P69-L71 WeakPolarHBondContact CB-O 3.49Å; P69-L71 WeakPolarHBondContact CG-O 3.27Å; P69-L72 HydrophobicContact CG-CD2 4.34Å
70	T	98.6	Very high	98	Very high	6 Å²	6	38.8 Å²	38.8	4%	0.037	21%	0.212	C	C	.	.	S	Bend	trans	-73.2	-29	175.3	-52.9	0	0	0	0	112	P179 I180 I205 T208 K210	T70-P179 CarbonylContact O-C 3.49Å; T70-P179 WeakPolarHBondContact O-CA 3.38Å; T70-I180 HydrophobicContact CG2-CB 4.14Å; T70-I180 HydrophobicContact CG2-CG1 3.65Å; T70-I180 PolarHBondContact O-N 3.32Å; T70-I205 WeakPolarHBondContact CB-O 3.13Å; T70-I205 HydrophobicContact CG2-CG2 4.19Å; T70-I205 WeakPolarHBondContact CG2-O 3.11Å; T70-T208 HydrophobicContact CG2-CG2 4.36Å; T70-T208 PolarHBondContact OG1-O 3.41Å; T70-K210 WeakPolarHBondContact OG1-CD 3.19Å; T70-K210 WeakPolarHBondContact OG1-CE 3.3Å; T70-K210 WeakPolarHBondContact OG1-CG 3.24Å
71	L	98.8	Very high	98	Very high	19 Å²	19	38.4 Å²	38.4	10%	0.099	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	113	168.6	-177.1	64.4	0	0	0	108.4	P69 A181 I183 F189 L202 I205 E206	P69-L71 VanDerWaalsContact C-N 3.33Å; P69-L71 WeakPolarHBondContact CB-O 3.49Å; P69-L71 WeakPolarHBondContact CG-O 3.27Å; L71-A181 WeakPolarHBondContact CA-O 3.29Å; L71-A181 HydrophobicContact CD1-CB 3.79Å; L71-I183 HydrophobicContact CD1-CD1 4.41Å; L71-I183 HydrophobicContact CD1-CG1 4.05Å; L71-I183 HydrophobicContact CD2-CG1 4.04Å; L71-I183 HydrophobicContact CG-CG1 4.15Å; L71-F189 HydrophobicContact CD1-CE2 4.49Å; L71-L202 HydrophobicContact CD2-CB 4.03Å; L71-I205 HydrophobicContact CB-CB 4.43Å; L71-I205 HydrophobicContact CB-CG2 4.03Å; L71-I205 HydrophobicContact CD1-CG2 4.24Å; L71-E206 HydrophobicContact CB-CB 4.28Å; L71-E206 HydrophobicContact CD2-CB 4.41Å
72	L	98.8	Very high	97.9	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.021	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	151.1	178.9	-59.4	175.4	0	0	0	111.1	E68 P69 I74 L107 Y138 T140 P179 A181 A182 I183	E68-L72 HydrophobicContact CG-CD2 3.48Å; E68-L72 VanDerWaalsContact CG-CD2 3.48Å; P69-L72 HydrophobicContact CG-CD2 4.34Å; L72-I74 HydrophobicContact CB-CD1 4.14Å; L72-I74 HydrophobicContact CB-CG1 4.16Å; L72-I74 HydrophobicContact CD1-CD1 4.24Å; L72-L107 HydrophobicContact CD1-CD1 4.49Å; L72-Y138 HydrophobicContact CD1-CD1 4.23Å; L72-T140 HydrophobicContact CD1-CG2 4.25Å; L72-P179 HydrophobicContact CD1-CB 3.97Å; L72-P179 HydrophobicContact CD1-CG 4.01Å; L72-P179 HydrophobicContact CD2-CB 3.96Å; L72-P179 HydrophobicContact CD2-CG 3.64Å; L72-P179 HydrophobicContact CG-CB 3.67Å; L72-P179 HydrophobicContact CG-CG 3.87Å; L72-A181 PolarHBondContact N-O 2.91Å; L72-A182 HydrophobicContact CB-CB 3.75Å; L72-A182 HydrophobicContact CD1-CB 4.37Å; L72-A182 CarbonylContact O-C 3.24Å; L72-A182 WeakPolarHBondContact O-CA 3.2Å; L72-I183 PolarHBondContact O-N 3.26Å
73	D	98.5	Very high	97.9	Very high	97 Å²	97	36.4 Å²	36.4	52%	0.519	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	118.4	169.8	-172.5	3.4	0	0	0	109	H186	D73-H186 IonicContact OD1-CE1 3.55Å; D73-H186 PolarHBondContact OD1-CE1 2.92Å; D73-H186 IonicContact OD1-ND1 3.41Å; D73-H186 IonicContact OD2-CE1 2.65Å; D73-H186 PolarHBondContact OD2-CE1 3.39Å
74	I	98.6	Very high	97.8	Very high	1 Å²	1	30 Å²	30	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	127.6	-167.5	-55.1	172.5	0	0	0	109.5	L72 V78 L107 Y138 A182 I183 V184 N185	L72-I74 HydrophobicContact CB-CD1 4.14Å; L72-I74 HydrophobicContact CB-CG1 4.16Å; L72-I74 HydrophobicContact CD1-CD1 4.24Å; I74-V78 HydrophobicContact CG2-CB 4.39Å; I74-V78 HydrophobicContact CG2-CG2 4.33Å; I74-L107 HydrophobicContact CD1-CB 4.43Å; I74-L107 HydrophobicContact CD1-CD1 4.01Å; I74-L107 HydrophobicContact CD1-CD2 4.22Å; I74-L107 HydrophobicContact CD1-CG 4.45Å; I74-Y138 HydrophobicContact CD1-CD1 3.68Å; I74-Y138 HydrophobicContact CD1-CD2 3.84Å; I74-Y138 HydrophobicContact CD1-CE1 4.2Å; I74-Y138 HydrophobicContact CD1-CE2 4.36Å; I74-Y138 HydrophobicContact CD1-CG 3.46Å; I74-Y138 VanDerWaalsContact CD1-CG 3.46Å; I74-Y138 HydrophobicContact CG1-CD1 3.84Å; I74-Y138 HydrophobicContact CG1-CD2 4.31Å; I74-Y138 HydrophobicContact CG1-CE1 3.86Å; I74-Y138 HydrophobicContact CG1-CE2 4.35Å; I74-Y138 HydrophobicContact CG1-CG 4.05Å; I74-Y138 HydrophobicContact CG2-CD2 4.19Å; I74-Y138 HydrophobicContact CG2-CE2 3.82Å; I74-A182 HydrophobicContact CD1-CB 3.91Å; I74-I183 PolarHBondContact N-O 3.24Å; I74-V184 HydrophobicContact CB-CG2 4.3Å; I74-V184 CarbonylContact O-C 3.54Å; I74-V184 VanDerWaalsContact O-CA 3.22Å; I74-V184 WeakPolarHBondContact O-CA 3.48Å; I74-N185 PolarHBondContact O-N 2.75Å
75	S	98.2	Very high	97.8	Very high	67 Å²	67	27.8 Å²	27.8	47%	0.469	16%	0.162	S	C	.	.	P	Polyproline II helix	trans	-86.6	161	175.1	-43.9	0	0	0	0	112.9	R105	S75-R105 PolarHBondContact O-NH2 2.93Å
76	Y	97.4	Very high	97.7	Very high	37 Å²	37	27.8 Å²	27.8	15%	0.145	16%	0.162	C	C	.	.	S	Bend	trans	-69.1	153.4	166.8	-69.9	-20.6	0	0	0	113.2	R105 V184 N185 L188 F304	Y76-R105 PolarHBondContact O-NH2 3.38Å; Y76-V184 HydrophobicContact CD1-CG1 3.66Å; Y76-V184 HydrophobicContact CE1-CG1 3.46Å; Y76-V184 VanDerWaalsContact CE1-CG1 3.46Å; Y76-N185 HydrophobicContact CD1-CB 3.73Å; Y76-N185 HydrophobicContact CD2-CB 3.73Å; Y76-N185 VanDerWaalsContact CD2-CG 3.47Å; Y76-N185 VanDerWaalsContact CD2-ND2 3.33Å; Y76-N185 WeakPolarHBondContact CD2-ND2 3.33Å; Y76-N185 HydrophobicContact CE1-CB 3.61Å; Y76-N185 HydrophobicContact CE2-CB 3.63Å; Y76-N185 WeakPolarHBondContact CE2-ND2 3.34Å; Y76-N185 HydrophobicContact CG-CB 3.77Å; Y76-L188 HydrophobicContact CE1-CD1 3.99Å; Y76-L188 WeakPolarHBondContact OH-CD1 3.45Å; Y76-F304 HydrophobicContact CD1-CB 3.84Å; Y76-F304 HydrophobicContact CE1-CB 3.39Å; Y76-F304 HydrophobicContact CE1-CG 4.3Å
77	P	96.4	Very high	97.4	Very high	60 Å²	60	26.4 Å²	26.4	39%	0.39	16%	0.155	S	C	.	.	S	Bend	cis	-78.9	150.9	-7.2	33.7	-37.2	0	0	0	113.9	R105 F304 D305	P77-R105 VanDerWaalsContact CD-NH2 3.27Å; P77-R105 VanDerWaalsContact O-CZ 3.3Å; P77-R105 PolarHBondContact O-NE 3.36Å; P77-R105 PolarHBondContact O-NH2 2.64Å; P77-F304 CarbonylContact C-O 3.53Å; P77-F304 WeakPolarHBondContact CA-O 3.45Å; P77-D305 HydrophobicContact CB-CB 3.82Å
78	V	97.6	Very high	97.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	141.6	173	67	0	0	0	0	111.5	I74 I80 R105 L107 V184 M303 F304	I74-V78 HydrophobicContact CG2-CB 4.39Å; I74-V78 HydrophobicContact CG2-CG2 4.33Å; V78-I80 HydrophobicContact CG1-CG1 4.16Å; V78-R105 HydrophobicContact CG2-CB 4.37Å; V78-L107 HydrophobicContact CG2-CB 3.98Å; V78-V184 HydrophobicContact CG1-CG1 3.52Å; V78-V184 HydrophobicContact CG1-CG2 4.41Å; V78-M303 WeakPolarHBondContact O-CA 3.46Å; V78-F304 PolarHBondContact N-O 2.77Å; V78-F304 PolarHBondContact O-N 3.49Å
79	N	96.8	Very high	96.8	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	118.8	171.8	-57.4	-90.8	0	0	0	108.6	Q104 R105 Y106 L107 V301 R350	N79-Q104 PolarHBondContact ND2-OE1 3.19Å; N79-Q104 VanDerWaalsContact ND2-OE1 3.08Å; N79-R105 WeakPolarHBondContact CB-O 3.44Å; N79-R105 PolarHBondContact N-O 3.37Å; N79-R105 PolarHBondContact ND2-O 2.94Å; N79-Y106 HydrophobicContact CB-CD1 3.61Å; N79-Y106 HydrophobicContact CB-CE1 3.62Å; N79-Y106 HydrophobicContact CB-CG 4.32Å; N79-Y106 CarbonylContact O-C 3.14Å; N79-Y106 VanDerWaalsContact O-CA 3.24Å; N79-Y106 WeakPolarHBondContact O-CA 3.18Å; N79-L107 PolarHBondContact O-N 3.34Å; N79-V301 HydrophobicContact CB-CG1 3.79Å; N79-R350 PolarHBondContact OD1-NH1 3.36Å; N79-R350 PolarHBondContact OD1-NH2 3.45Å
80	I	98	Very high	96.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	129.2	-180	-51.3	-176.6	0	0	0	109.3	V78 L107 L109 V184 L188 V264 L285 V302 F304	V78-I80 HydrophobicContact CG1-CG1 4.16Å; I80-L107 CarbonylContact C-O 3.45Å; I80-L107 WeakPolarHBondContact CA-O 3.13Å; I80-L107 HydrophobicContact CD1-CD2 4.4Å; I80-L107 HydrophobicContact CG1-CB 4.4Å; I80-L107 HydrophobicContact CG1-CD2 4.41Å; I80-L107 HydrophobicContact CG2-CD2 4.4Å; I80-L109 HydrophobicContact CG2-CD1 3.8Å; I80-L109 HydrophobicContact CG2-CD2 3.95Å; I80-L109 HydrophobicContact CG2-CG 3.83Å; I80-V184 HydrophobicContact CD1-CG2 4.41Å; I80-L188 HydrophobicContact CD1-CD1 4.45Å; I80-V264 HydrophobicContact CD1-CB 4.46Å; I80-V264 HydrophobicContact CD1-CG1 4.16Å; I80-V264 HydrophobicContact CD1-CG2 4.49Å; I80-V264 HydrophobicContact CG2-CG1 3.96Å; I80-L285 HydrophobicContact CB-CD1 4.04Å; I80-L285 HydrophobicContact CG2-CD1 3.85Å; I80-V302 PolarHBondContact N-O 2.95Å; I80-V302 PolarHBondContact O-N 3.45Å; I80-V302 VanDerWaalsContact O-N 3.17Å; I80-F304 HydrophobicContact CD1-CD2 3.66Å; I80-F304 HydrophobicContact CD1-CE2 3.68Å; I80-F304 HydrophobicContact CG1-CD2 3.98Å; I80-F304 HydrophobicContact CG1-CE2 4.18Å
81	C	97.5	Very high	96	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	134.4	-175.1	-55.4	0	0	0	0	110.5	L107 F108 L109	C81-L107 PolarHBondContact N-O 3.1Å; C81-F108 HydrophobicContact CB-CD1 3.46Å; C81-F108 VanDerWaalsContact CB-CD1 3.46Å; C81-F108 HydrophobicContact CB-CE1 3.67Å; C81-F108 HydrophobicContact CB-CG 4.08Å; C81-F108 HydrophobicContact CB-CZ 4.44Å; C81-F108 WeakPolarHBondContact O-CA 3.31Å; C81-L109 WeakPolarHBondContact O-CG 3.48Å; C81-L109 PolarHBondContact O-N 2.93Å
82	G	97.4	Very high	95.6	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.098	C	C	.	.			trans	-85.3	-155.9	171	0	0	0	0	0	113.1
83	D	98.1	Very high	94.9	Very high	2 Å²	2	18 Å²	18	1%	0.011	10%	0.1	C	C	.	.			trans	-55.1	139.1	-171.4	-53.6	20.3	0	0	0	113.7	H85 D111 H192 S266 H267 F286 G287 I288	D83-H85 IonicContact OD2-NE2 3.51Å; D83-D111 HydrophobicContact CB-CB 4.05Å; D83-H192 IonicContact OD1-CE1 3.49Å; D83-H192 PolarHBondContact OD1-CE1 3.48Å; D83-H192 IonicContact OD1-ND1 3.93Å; D83-H192 IonicContact OD2-CE1 3.39Å; D83-S266 WeakPolarHBondContact OD1-CB 3.36Å; D83-S266 PolarHBondContact OD1-OG 3.49Å; D83-S266 VanDerWaalsContact OD1-OG 3.07Å; D83-H267 PolarHBondContact OD1-N 3.33Å; D83-H267 WeakPolarHBondContact OD2-CA 3.33Å; D83-F286 HydrophobicContact CB-CD2 4.11Å; D83-F286 HydrophobicContact CB-CE2 3.66Å; D83-F286 HydrophobicContact CB-CZ 4Å; D83-F286 VanDerWaalsContact OD2-CE2 3.25Å; D83-F286 WeakPolarHBondContact OD2-CE2 3.41Å; D83-G287 CarbonylContact O-C 3.55Å; D83-G287 WeakPolarHBondContact O-CA 3.44Å; D83-G287 PolarHBondContact O-N 3.02Å; D83-I288 PolarHBondContact O-N 3.01Å
84	I	97	Very high	94.5	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.076	C	C	.	.			trans	-116.1	-34.3	179.6	-56.7	-62	0	0	0	112.9	G86 N87 L91 I94 F108 D111 V122 I288	I84-G86 PolarHBondContact O-N 2.82Å; I84-N87 WeakPolarHBondContact O-CB 3.39Å; I84-N87 PolarHBondContact O-N 2.81Å; I84-N87 VanDerWaalsContact O-N 3.08Å; I84-L91 HydrophobicContact CG2-CB 4.28Å; I84-I94 HydrophobicContact CD1-CD1 3.59Å; I84-F108 HydrophobicContact CD1-CE1 4.38Å; I84-F108 HydrophobicContact CG1-CD1 4.28Å; I84-F108 HydrophobicContact CG1-CE1 4.44Å; I84-D111 PolarHBondContact N-O 3.14Å; I84-V122 HydrophobicContact CB-CG1 4.26Å; I84-V122 HydrophobicContact CG2-CB 4.48Å; I84-V122 HydrophobicContact CG2-CG1 3.64Å; I84-V122 HydrophobicContact CG2-CG2 3.93Å; I84-I288 HydrophobicContact CD1-CG2 4.43Å; I84-I288 WeakPolarHBondContact O-CG2 3.18Å
85	H	97.1	Very high	94.1	Very high	4 Å²	4	13.5 Å²	13.5	2%	0.019	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.3	52.1	172	-80.1	-58.2	0	0	0	115.2	D83 N87 D111 V113 D114 R115 G116 H144 I288 Y291	D83-H85 IonicContact OD2-NE2 3.51Å; H85-N87 PolarHBondContact O-N 3.17Å; H85-D111 IonicContact CE1-OD2 2.72Å; H85-D111 PolarHBondContact N-O 3.46Å; H85-D111 IonicContact NE2-OD2 3.4Å; H85-V113 PolarHBondContact ND1-O 2.99Å; H85-D114 CarbonylContact C-O 3.53Å; H85-D114 VanDerWaalsContact C-O 3.25Å; H85-D114 WeakPolarHBondContact CA-O 3.27Å; H85-D114 PolarHBondContact ND1-O 2.77Å; H85-R115 HydrophobicContact CB-CB 4.2Å; H85-G116 WeakPolarHBondContact O-CA 3.04Å; H85-G116 PolarHBondContact O-N 2.61Å; H85-H144 AromaticContact CE1-CD2 3.49Å; H85-H144 PolarHBondContact CE1-CD2 3.14Å; H85-H144 VanDerWaalsContact CE1-CD2 3.49Å; H85-H144 AromaticContact CE1-CE1 3.98Å; H85-H144 AromaticContact CE1-CG 3.81Å; H85-H144 AromaticContact CE1-NE2 3.62Å; H85-I288 HydrophobicContact CB-CD1 4.18Å; H85-Y291 HydrophobicContact CB-CE2 4.23Å; H85-Y291 AromaticContact CD2-CE2 3.27Å; H85-Y291 WeakPolarHBondContact CD2-CE2 3.41Å; H85-Y291 AromaticContact CD2-CZ 3.75Å; H85-Y291 PolarHBondContact CD2-OH 3.43Å; H85-Y291 AromaticContact CG-CE2 3.93Å; H85-Y291 AromaticContact NE2-CE2 3.81Å; H85-Y291 AromaticContact NE2-CZ 3.77Å; H85-Y291 PolarHBondContact NE2-OH 3.45Å
86	G	95.3	Very high	93.5	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.01	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	27.8	176.4	0	0	0	0	0	114.5	I84 Y112 K117 D118	I84-G86 PolarHBondContact O-N 2.82Å; G86-Y112 PolarHBondContact N-O 3.05Å; G86-K117 PolarHBondContact O-N 2.85Å; G86-D118 WeakPolarHBondContact O-CB 3.31Å; G86-D118 PolarHBondContact O-N 2.85Å
87	N	92.7	Very high	92.6	Very high	47 Å²	47	9.5 Å²	9.5	25%	0.251	5%	0.051	S	C	.	.			trans	-98.7	88	170.7	-169.4	-23.6	0	0	0	110.3	I84 H85 E89 A90 L91 I288	I84-N87 WeakPolarHBondContact O-CB 3.39Å; I84-N87 PolarHBondContact O-N 2.81Å; I84-N87 VanDerWaalsContact O-N 3.08Å; H85-N87 PolarHBondContact O-N 3.17Å; N87-E89 VanDerWaalsContact C-N 3.32Å; N87-E89 PolarHBondContact O-N 2.97Å; N87-E89 PolarHBondContact OD1-N 2.92Å; N87-A90 HydrophobicContact CB-CB 4Å; N87-A90 VanDerWaalsContact CG-CB 3.43Å; N87-A90 PolarHBondContact O-N 3.01Å; N87-A90 WeakPolarHBondContact OD1-CB 3.44Å; N87-A90 PolarHBondContact OD1-N 2.84Å; N87-L91 PolarHBondContact O-N 2.9Å; N87-I288 HydrophobicContact CB-CD1 4.26Å; N87-I288 HydrophobicContact CB-CG2 4.02Å
88	F	92.2	Very high	91.9	Very high	15 Å²	15	7 Å²	7	7%	0.066	4%	0.036	C	C	.	.	H	α-helix	trans	-63.1	-38.3	-177.8	-171	-110.2	0	0	0	112.8	V40 A90 L91 L92 D118 E121 V122 L125	V40-F88 HydrophobicContact CG1-CE2 4.39Å; V40-F88 HydrophobicContact CG1-CZ 4.44Å; V40-F88 WeakPolarHBondContact O-CZ 3.44Å; F88-A90 PolarHBondContact O-N 2.88Å; F88-L91 WeakPolarHBondContact O-CB 3.42Å; F88-L91 PolarHBondContact O-N 3.4Å; F88-L92 HydrophobicContact CD1-CD1 4.02Å; F88-L92 HydrophobicContact CD1-CG 4.23Å; F88-L92 HydrophobicContact CE1-CD1 3.7Å; F88-L92 HydrophobicContact CE1-CD2 4.16Å; F88-L92 HydrophobicContact CE1-CG 4.02Å; F88-L92 HydrophobicContact CZ-CD1 4.43Å; F88-L92 HydrophobicContact CZ-CD2 4.07Å; F88-L92 HydrophobicContact CZ-CG 4.38Å; F88-L92 WeakPolarHBondContact O-CG 3.24Å; F88-L92 PolarHBondContact O-N 2.75Å; F88-D118 HydrophobicContact CB-CB 3.75Å; F88-E121 HydrophobicContact CB-CB 4.39Å; F88-E121 HydrophobicContact CD2-CB 3.55Å; F88-E121 HydrophobicContact CE2-CB 3.9Å; F88-E121 HydrophobicContact CG-CB 4.02Å; F88-V122 HydrophobicContact CB-CG2 4.12Å; F88-V122 HydrophobicContact CD2-CG2 4.24Å; F88-L125 HydrophobicContact CD2-CD2 4.49Å; F88-L125 HydrophobicContact CE2-CB 4.04Å; F88-L125 HydrophobicContact CE2-CD2 3.58Å; F88-L125 HydrophobicContact CE2-CG 4.43Å; F88-L125 HydrophobicContact CZ-CD2 4.02Å
89	E	88.9	Confident	91.5	Very high	31 Å²	31	7.1 Å²	7.1	15%	0.145	4%	0.037	C	C	.	.	H	α-helix	trans	-65.4	-40.6	-179.3	-56.6	179.1	-176	0	0	111.2	N87 L91 L92 F93 F322	N87-E89 VanDerWaalsContact C-N 3.32Å; N87-E89 PolarHBondContact O-N 2.97Å; N87-E89 PolarHBondContact OD1-N 2.92Å; E89-L91 VanDerWaalsContact C-N 3.33Å; E89-L91 PolarHBondContact O-N 3.12Å; E89-L92 PolarHBondContact O-N 3.16Å; E89-F93 PolarHBondContact O-N 3.31Å; E89-F322 HydrophobicContact CB-CB 4.06Å; E89-F322 HydrophobicContact CB-CD1 4.4Å
90	A	87.7	Confident	91.2	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-63.2	-38	174.1	0	0	0	0	0	112.6	N87 F88 F93 I94 I288 F322	N87-A90 HydrophobicContact CB-CB 4Å; N87-A90 VanDerWaalsContact CG-CB 3.43Å; N87-A90 PolarHBondContact O-N 3.01Å; N87-A90 WeakPolarHBondContact OD1-CB 3.44Å; N87-A90 PolarHBondContact OD1-N 2.84Å; F88-A90 PolarHBondContact O-N 2.88Å; A90-F93 WeakPolarHBondContact O-CB 3.39Å; A90-F93 PolarHBondContact O-N 3.46Å; A90-I94 WeakPolarHBondContact O-CG1 3.46Å; A90-I94 PolarHBondContact O-N 3.43Å; A90-I288 HydrophobicContact CB-CB 4.35Å; A90-I288 HydrophobicContact CB-CG2 3.75Å; A90-F322 HydrophobicContact CB-CE1 4.34Å
91	L	92.5	Very high	90.9	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-63.5	-43.7	174.7	179.6	60.7	0	0	0	112	I84 N87 F88 E89 F93 I94 F95 F108 V122 L125 L126	I84-L91 HydrophobicContact CG2-CB 4.28Å; N87-L91 PolarHBondContact O-N 2.9Å; F88-L91 WeakPolarHBondContact O-CB 3.42Å; F88-L91 PolarHBondContact O-N 3.4Å; E89-L91 VanDerWaalsContact C-N 3.33Å; E89-L91 PolarHBondContact O-N 3.12Å; L91-F93 VanDerWaalsContact C-N 3.28Å; L91-F93 PolarHBondContact O-N 2.98Å; L91-I94 WeakPolarHBondContact O-CB 3.49Å; L91-I94 PolarHBondContact O-N 3.29Å; L91-F95 HydrophobicContact CD1-CD2 4.35Å; L91-F95 HydrophobicContact CD1-CE1 4.46Å; L91-F95 HydrophobicContact CD1-CE2 3.57Å; L91-F95 HydrophobicContact CD1-CZ 3.64Å; L91-F95 HydrophobicContact CD2-CE2 4.31Å; L91-F95 HydrophobicContact CG-CD2 4.33Å; L91-F95 HydrophobicContact CG-CE2 3.71Å; L91-F95 HydrophobicContact CG-CZ 4.29Å; L91-F95 WeakPolarHBondContact O-CD2 3.44Å; L91-F95 PolarHBondContact O-N 3.03Å; L91-F108 HydrophobicContact CD1-CE1 3.6Å; L91-F108 HydrophobicContact CD1-CZ 3.69Å; L91-V122 HydrophobicContact CD2-CB 4.47Å; L91-V122 HydrophobicContact CD2-CG1 4.16Å; L91-V122 HydrophobicContact CD2-CG2 4.44Å; L91-L125 HydrophobicContact CD2-CB 4.47Å; L91-L125 HydrophobicContact CD2-CD2 3.85Å; L91-L125 HydrophobicContact CD2-CG 4.38Å; L91-L125 HydrophobicContact CG-CD2 4.37Å; L91-L126 HydrophobicContact CD1-CD2 4.12Å; L91-L126 HydrophobicContact CD2-CD2 4.26Å; L91-L126 HydrophobicContact CD2-CG 4.12Å
92	L	90.5	Very high	90.7	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-63.3	-36.7	175.4	-63.3	-174.5	0	0	0	112	L41 F88 E89 F95 S96 W100 L125 T326	L41-L92 HydrophobicContact CD2-CD2 3.69Å; F88-L92 HydrophobicContact CD1-CD1 4.02Å; F88-L92 HydrophobicContact CD1-CG 4.23Å; F88-L92 HydrophobicContact CE1-CD1 3.7Å; F88-L92 HydrophobicContact CE1-CD2 4.16Å; F88-L92 HydrophobicContact CE1-CG 4.02Å; F88-L92 HydrophobicContact CZ-CD1 4.43Å; F88-L92 HydrophobicContact CZ-CD2 4.07Å; F88-L92 HydrophobicContact CZ-CG 4.38Å; F88-L92 WeakPolarHBondContact O-CG 3.24Å; F88-L92 PolarHBondContact O-N 2.75Å; E89-L92 PolarHBondContact O-N 3.16Å; L92-F95 PolarHBondContact O-N 2.71Å; L92-S96 WeakPolarHBondContact O-CB 3.24Å; L92-S96 PolarHBondContact O-N 2.81Å; L92-S96 PolarHBondContact O-OG 3.13Å; L92-W100 HydrophobicContact CD2-CH2 3.6Å; L92-W100 HydrophobicContact CD2-CZ2 4.07Å; L92-L125 HydrophobicContact CD2-CD2 4Å; L92-T326 HydrophobicContact CD1-CG2 3.89Å
93	F	85.8	Confident	90.4	Very high	15 Å²	15	13.7 Å²	13.7	7%	0.066	8%	0.079	C	C	.	.	H	α-helix	trans	-61.4	-47.1	174.5	-173.3	-79.2	0	0	0	112.3	E89 A90 L91 F95 S96 M97 Q314 A317 F322 L325	E89-F93 PolarHBondContact O-N 3.31Å; A90-F93 WeakPolarHBondContact O-CB 3.39Å; A90-F93 PolarHBondContact O-N 3.46Å; L91-F93 VanDerWaalsContact C-N 3.28Å; L91-F93 PolarHBondContact O-N 2.98Å; F93-F95 VanDerWaalsContact C-N 3.28Å; F93-F95 PolarHBondContact O-N 3.3Å; F93-S96 PolarHBondContact O-N 3.29Å; F93-S96 VanDerWaalsContact O-N 3.1Å; F93-M97 HydrophobicContact CD1-CG 3.71Å; F93-M97 HydrophobicContact CD2-CG 4.5Å; F93-M97 HydrophobicContact CE1-CB 4.25Å; F93-M97 HydrophobicContact CE1-CG 3.2Å; F93-M97 HydrophobicContact CE1-SD 4.29Å; F93-M97 HydrophobicContact CE2-CG 4.06Å; F93-M97 HydrophobicContact CE2-SD 4.34Å; F93-M97 HydrophobicContact CG-CG 4.34Å; F93-M97 HydrophobicContact CZ-CG 3.4Å; F93-M97 HydrophobicContact CZ-SD 3.89Å; F93-M97 WeakPolarHBondContact O-CG 3.22Å; F93-M97 PolarHBondContact O-N 3.15Å; F93-Q314 VanDerWaalsContact CD1-CD 3.42Å; F93-Q314 HydrophobicContact CD1-CG 3.84Å; F93-Q314 HydrophobicContact CE1-CB 4.21Å; F93-Q314 HydrophobicContact CE1-CG 3.5Å; F93-Q314 VanDerWaalsContact CE1-CG 3.5Å; F93-Q314 HydrophobicContact CZ-CG 4.38Å; F93-A317 HydrophobicContact CD2-CB 4.35Å; F93-A317 HydrophobicContact CE2-CB 3.41Å; F93-A317 VanDerWaalsContact CE2-CB 3.41Å; F93-A317 HydrophobicContact CZ-CB 3.5Å; F93-F322 HydrophobicContact CB-CD1 3.65Å; F93-F322 HydrophobicContact CB-CE1 3.42Å; F93-F322 VanDerWaalsContact CB-CE1 3.42Å; F93-F322 HydrophobicContact CD1-CE1 4.22Å; F93-F322 AromaticContact CD2-CD1 3.97Å; F93-F322 HydrophobicContact CD2-CD1 3.97Å; F93-F322 AromaticContact CD2-CE1 3.7Å; F93-F322 HydrophobicContact CD2-CE1 3.7Å; F93-F322 HydrophobicContact CD2-CZ 4.13Å; F93-F322 HydrophobicContact CG-CD1 4.02Å; F93-F322 AromaticContact CG-CE1 3.51Å; F93-F322 HydrophobicContact CG-CE1 3.51Å; F93-F322 HydrophobicContact CG-CZ 4.17Å; F93-L325 HydrophobicContact CB-CD2 3.79Å; F93-L325 HydrophobicContact CD2-CD2 3.8Å; F93-L325 HydrophobicContact CG-CD2 4.16Å
94	I	89.5	Confident	90.2	Very high	4 Å²	4	15.8 Å²	15.8	2%	0.021	9%	0.088	C	C	.	.	H	α-helix	trans	-51.7	-49.2	176	-72.6	169.8	0	0	0	110.7	I84 A90 L91 G98 Y106 V301	I84-I94 HydrophobicContact CD1-CD1 3.59Å; A90-I94 WeakPolarHBondContact O-CG1 3.46Å; A90-I94 PolarHBondContact O-N 3.43Å; L91-I94 WeakPolarHBondContact O-CB 3.49Å; L91-I94 PolarHBondContact O-N 3.29Å; I94-G98 WeakPolarHBondContact O-CA 3.3Å; I94-G98 PolarHBondContact O-N 2.87Å; I94-Y106 HydrophobicContact CG2-CD1 4.29Å; I94-Y106 HydrophobicContact CG2-CE1 3.78Å; I94-V301 HydrophobicContact CB-CG2 4.38Å; I94-V301 HydrophobicContact CD1-CG2 4.08Å; I94-V301 HydrophobicContact CG1-CG2 3.77Å; I94-V301 HydrophobicContact CG2-CG2 3.91Å
95	F	90.6	Very high	90.2	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-70.9	-34	179.8	-61	-43.1	0	0	0	113.5	L91 L92 F93 G99 W100 P101 Y106 F108 L125 L126 L129	L91-F95 HydrophobicContact CD1-CD2 4.35Å; L91-F95 HydrophobicContact CD1-CE1 4.46Å; L91-F95 HydrophobicContact CD1-CE2 3.57Å; L91-F95 HydrophobicContact CD1-CZ 3.64Å; L91-F95 HydrophobicContact CD2-CE2 4.31Å; L91-F95 HydrophobicContact CG-CD2 4.33Å; L91-F95 HydrophobicContact CG-CE2 3.71Å; L91-F95 HydrophobicContact CG-CZ 4.29Å; L91-F95 WeakPolarHBondContact O-CD2 3.44Å; L91-F95 PolarHBondContact O-N 3.03Å; L92-F95 PolarHBondContact O-N 2.71Å; F93-F95 VanDerWaalsContact C-N 3.28Å; F93-F95 PolarHBondContact O-N 3.3Å; F95-G99 CarbonylContact O-C 3.45Å; F95-G99 WeakPolarHBondContact O-CA 3.43Å; F95-G99 PolarHBondContact O-N 2.91Å; F95-W100 HydrophobicContact CB-CD2 3.55Å; F95-W100 VanDerWaalsContact CB-CE2 3.42Å; F95-W100 HydrophobicContact CB-CE3 3.99Å; F95-W100 HydrophobicContact CB-CG 3.93Å; F95-W100 HydrophobicContact CB-CH2 4.15Å; F95-W100 HydrophobicContact CB-CZ2 3.76Å; F95-W100 HydrophobicContact CB-CZ3 4.26Å; F95-W100 HydrophobicContact CD2-CD2 4.44Å; F95-W100 HydrophobicContact CD2-CE3 4.02Å; F95-W100 AromaticContact CD2-CH2 3.75Å; F95-W100 HydrophobicContact CD2-CH2 3.75Å; F95-W100 HydrophobicContact CD2-CZ2 4.21Å; F95-W100 AromaticContact CD2-CZ3 3.65Å; F95-W100 HydrophobicContact CD2-CZ3 3.65Å; F95-W100 HydrophobicContact CE2-CZ3 4.34Å; F95-W100 HydrophobicContact CG-CD2 4.21Å; F95-W100 HydrophobicContact CG-CE3 4.14Å; F95-W100 HydrophobicContact CG-CH2 4.38Å; F95-W100 HydrophobicContact CG-CZ2 4.46Å; F95-W100 HydrophobicContact CG-CZ3 4.23Å; F95-W100 PolarHBondContact O-N 2.86Å; F95-P101 HydrophobicContact CE1-CG 4.42Å; F95-Y106 HydrophobicContact CD1-CD2 4.27Å; F95-Y106 HydrophobicContact CD1-CE1 4.18Å; F95-Y106 AromaticContact CD1-CE2 3.86Å; F95-Y106 HydrophobicContact CD1-CE2 3.86Å; F95-Y106 AromaticContact CD1-CZ 3.82Å; F95-Y106 HydrophobicContact CE1-CD1 4.28Å; F95-Y106 HydrophobicContact CE1-CD2 4.04Å; F95-Y106 HydrophobicContact CE1-CE1 4.37Å; F95-Y106 HydrophobicContact CE1-CE2 4.1Å; F95-Y106 HydrophobicContact CE1-CG 4.12Å; F95-F108 HydrophobicContact CE1-CE2 4.11Å; F95-F108 AromaticContact CE1-CZ 3.7Å; F95-F108 HydrophobicContact CE1-CZ 3.7Å; F95-F108 HydrophobicContact CZ-CE2 4.14Å; F95-F108 AromaticContact CZ-CZ 3.7Å; F95-F108 HydrophobicContact CZ-CZ 3.7Å; F95-L125 HydrophobicContact CE2-CD2 4.27Å; F95-L126 HydrophobicContact CZ-CD2 4.25Å; F95-L129 HydrophobicContact CD2-CD1 4.49Å; F95-L129 HydrophobicContact CE2-CD1 3.62Å; F95-L129 HydrophobicContact CZ-CD1 3.66Å
96	S	84.1	Confident	90.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-74.5	-28.3	-178	-55.8	0	0	0	0	113.1	L92 F93 I345 F346	L92-S96 WeakPolarHBondContact O-CB 3.24Å; L92-S96 PolarHBondContact O-N 2.81Å; L92-S96 PolarHBondContact O-OG 3.13Å; F93-S96 PolarHBondContact O-N 3.29Å; F93-S96 VanDerWaalsContact O-N 3.1Å; S96-I345 PolarHBondContact O-N 2.78Å; S96-F346 PolarHBondContact O-N 2.97Å
97	M	79.6	Confident	90.4	Very high	21 Å²	21	18.2 Å²	18.2	10%	0.103	10%	0.097	C	C	.	.	H	α-helix	trans	-86.4	-45.5	172.7	-66.8	-55.8	-68	0	0	112.4	F93 V312 F346	F93-M97 HydrophobicContact CD1-CG 3.71Å; F93-M97 HydrophobicContact CD2-CG 4.5Å; F93-M97 HydrophobicContact CE1-CB 4.25Å; F93-M97 HydrophobicContact CE1-CG 3.2Å; F93-M97 HydrophobicContact CE1-SD 4.29Å; F93-M97 HydrophobicContact CE2-CG 4.06Å; F93-M97 HydrophobicContact CE2-SD 4.34Å; F93-M97 HydrophobicContact CG-CG 4.34Å; F93-M97 HydrophobicContact CZ-CG 3.4Å; F93-M97 HydrophobicContact CZ-SD 3.89Å; F93-M97 WeakPolarHBondContact O-CG 3.22Å; F93-M97 PolarHBondContact O-N 3.15Å; M97-V312 HydrophobicContact CB-CG1 4.16Å; M97-F346 HydrophobicContact CE-CB 3.94Å; M97-F346 HydrophobicContact SD-CB 3.8Å; M97-F346 HydrophobicContact SD-CD2 3.74Å; M97-F346 HydrophobicContact SD-CG 4.21Å
98	G	81.4	Confident	90.7	Very high	6 Å²	6	16 Å²	16	6%	0.062	9%	0.085	C	C	.	.	H	α-helix	trans	-75.1	-34.2	-176.9	0	0	0	0	0	112.7	I94 Q104 Y106 R350	I94-G98 WeakPolarHBondContact O-CA 3.3Å; I94-G98 PolarHBondContact O-N 2.87Å; G98-Q104 VanDerWaalsContact O-CG 3.29Å; G98-Q104 WeakPolarHBondContact O-CG 3.44Å; G98-Y106 VanDerWaalsContact C-OH 3.31Å; G98-Y106 WeakPolarHBondContact CA-OH 3.38Å; G98-R350 PolarHBondContact O-NH2 3.08Å
99	G	88.2	Confident	91.1	Very high	3 Å²	3	15.3 Å²	15.3	3%	0.031	8%	0.082	C	C	.	.			trans	108.7	136.8	-169	0	0	0	0	0	111.2	F95 Q104 Y106	F95-G99 CarbonylContact O-C 3.45Å; F95-G99 WeakPolarHBondContact O-CA 3.43Å; F95-G99 PolarHBondContact O-N 2.91Å; G99-Q104 WeakPolarHBondContact O-CB 3.34Å; G99-Y106 PolarHBondContact N-OH 3.42Å; G99-Y106 WeakPolarHBondContact O-CE2 3.47Å; G99-Y106 VanDerWaalsContact O-CZ 3.28Å; G99-Y106 PolarHBondContact O-OH 3.11Å
100	W	90.6	Very high	91.5	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.075	C	C	.	.			trans	-76.6	146.6	-175.5	-75.3	74.9	0	0	0	112.9	L41 L92 F95 T103 Q104 V329 Y340 L343 T344	L41-W100 HydrophobicContact CD1-CH2 4.37Å; L41-W100 HydrophobicContact CD1-CZ3 4.24Å; L41-W100 HydrophobicContact CD2-CH2 3.47Å; L41-W100 VanDerWaalsContact CD2-CH2 3.47Å; L41-W100 HydrophobicContact CD2-CZ3 3.81Å; L92-W100 HydrophobicContact CD2-CH2 3.6Å; L92-W100 HydrophobicContact CD2-CZ2 4.07Å; F95-W100 HydrophobicContact CB-CD2 3.55Å; F95-W100 VanDerWaalsContact CB-CE2 3.42Å; F95-W100 HydrophobicContact CB-CE3 3.99Å; F95-W100 HydrophobicContact CB-CG 3.93Å; F95-W100 HydrophobicContact CB-CH2 4.15Å; F95-W100 HydrophobicContact CB-CZ2 3.76Å; F95-W100 HydrophobicContact CB-CZ3 4.26Å; F95-W100 HydrophobicContact CD2-CD2 4.44Å; F95-W100 HydrophobicContact CD2-CE3 4.02Å; F95-W100 AromaticContact CD2-CH2 3.75Å; F95-W100 HydrophobicContact CD2-CH2 3.75Å; F95-W100 HydrophobicContact CD2-CZ2 4.21Å; F95-W100 AromaticContact CD2-CZ3 3.65Å; F95-W100 HydrophobicContact CD2-CZ3 3.65Å; F95-W100 HydrophobicContact CE2-CZ3 4.34Å; F95-W100 HydrophobicContact CG-CD2 4.21Å; F95-W100 HydrophobicContact CG-CE3 4.14Å; F95-W100 HydrophobicContact CG-CH2 4.38Å; F95-W100 HydrophobicContact CG-CZ2 4.46Å; F95-W100 HydrophobicContact CG-CZ3 4.23Å; F95-W100 PolarHBondContact O-N 2.86Å; W100-T103 WeakPolarHBondContact O-CA 3.07Å; W100-T103 WeakPolarHBondContact O-CB 3.43Å; W100-T103 PolarHBondContact O-N 3.3Å; W100-T103 PolarHBondContact O-OG1 3.36Å; W100-Q104 PolarHBondContact O-N 3.05Å; W100-V329 HydrophobicContact CZ2-CG1 4.17Å; W100-V329 HydrophobicContact CZ2-CG2 4.36Å; W100-Y340 WeakPolarHBondContact CB-O 3.39Å; W100-Y340 HydrophobicContact CE3-CD1 4.5Å; W100-L343 HydrophobicContact CD2-CB 4.24Å; W100-L343 HydrophobicContact CD2-CD1 4.13Å; W100-L343 HydrophobicContact CE3-CD1 4.43Å; W100-L343 HydrophobicContact CG-CB 4.12Å; W100-L343 HydrophobicContact CH2-CD1 4.49Å; W100-L343 HydrophobicContact CZ2-CB 4.48Å; W100-L343 HydrophobicContact CZ2-CD1 4.18Å; W100-L343 PolarHBondContact NE1-O 3.41Å; W100-T344 PolarHBondContact N-OG1 3.13Å
101	P	93	Very high	92.1	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	140.4	163.2	-22.9	33.5	0	0	0	111.2	F95 Y106 Y133 H136 V137	F95-P101 HydrophobicContact CE1-CG 4.42Å; P101-Y106 HydrophobicContact CG-CD2 3.93Å; P101-Y106 HydrophobicContact CG-CE2 4.16Å; P101-Y133 HydrophobicContact CB-CD2 3.95Å; P101-Y133 HydrophobicContact CB-CG 4.44Å; P101-H136 HydrophobicContact CB-CB 4.39Å; P101-V137 HydrophobicContact CB-CG2 4Å; P101-V137 HydrophobicContact CG-CG2 3.61Å
102	P	92.7	Very high	92.4	Very high	57 Å²	57	13.9 Å²	13.9	37%	0.37	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	cis	-88.8	5.1	4.2	36	-34.6	0	0	0	114.5	Q104 Y133 H136	P102-Q104 PolarHBondContact O-N 3.16Å; P102-Y133 HydrophobicContact CB-CD1 3.73Å; P102-Y133 HydrophobicContact CB-CE1 4.05Å; P102-Y133 HydrophobicContact CB-CG 4.18Å; P102-Y133 HydrophobicContact CG-CD1 3.99Å; P102-Y133 HydrophobicContact CG-CE1 3.75Å; P102-H136 PolarHBondContact O-CD2 2.92Å; P102-H136 PolarHBondContact O-NE2 3.35Å
103	T	92.2	Very high	92.7	Very high	82 Å²	82	13.9 Å²	13.9	50%	0.503	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-29.6	179.6	-43.4	0	0	0	0	112.2	W100	W100-T103 WeakPolarHBondContact O-CA 3.07Å; W100-T103 WeakPolarHBondContact O-CB 3.43Å; W100-T103 PolarHBondContact O-N 3.3Å; W100-T103 PolarHBondContact O-OG1 3.36Å
104	Q	93.5	Very high	93.3	Very high	45 Å²	45	13.2 Å²	13.2	21%	0.21	7%	0.073	C	C	.	.	S	Bend	trans	-133.5	155.7	179.9	-68.6	-69.6	-37	0	0	110.5	N79 G98 G99 W100 P102 Y106	N79-Q104 PolarHBondContact ND2-OE1 3.19Å; N79-Q104 VanDerWaalsContact ND2-OE1 3.08Å; G98-Q104 VanDerWaalsContact O-CG 3.29Å; G98-Q104 WeakPolarHBondContact O-CG 3.44Å; G99-Q104 WeakPolarHBondContact O-CB 3.34Å; W100-Q104 PolarHBondContact O-N 3.05Å; P102-Q104 PolarHBondContact O-N 3.16Å; Q104-Y106 HydrophobicContact CB-CD2 4.36Å; Q104-Y106 HydrophobicContact CB-CE2 3.58Å
105	R	97	Very high	93.6	Very high	57 Å²	57	17.8 Å²	17.8	22%	0.215	9%	0.09	C	C	.	.			trans	-105.8	142.5	174.2	-57.5	-165.3	-64.8	-153.7	-8.5	111.3	S75 Y76 P77 V78 N79 S135 H136	S75-R105 PolarHBondContact O-NH2 2.93Å; Y76-R105 PolarHBondContact O-NH2 3.38Å; P77-R105 VanDerWaalsContact CD-NH2 3.27Å; P77-R105 VanDerWaalsContact O-CZ 3.3Å; P77-R105 PolarHBondContact O-NE 3.36Å; P77-R105 PolarHBondContact O-NH2 2.64Å; V78-R105 HydrophobicContact CG2-CB 4.37Å; N79-R105 WeakPolarHBondContact CB-O 3.44Å; N79-R105 PolarHBondContact N-O 3.37Å; N79-R105 PolarHBondContact ND2-O 2.94Å; R105-S135 VanDerWaalsContact CD-O 3.22Å; R105-S135 WeakPolarHBondContact CD-O 3.28Å; R105-H136 CarbonylContact C-O 3.54Å; R105-H136 WeakPolarHBondContact CA-O 3.35Å; R105-H136 HydrophobicContact CG-CB 4.17Å
106	Y	98.4	Very high	93.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	135.2	-176.8	-68.3	-92	0	0	0	111.6	N79 I94 F95 G98 G99 P101 Q104 F108 H136 V137 Y138	N79-Y106 HydrophobicContact CB-CD1 3.61Å; N79-Y106 HydrophobicContact CB-CE1 3.62Å; N79-Y106 HydrophobicContact CB-CG 4.32Å; N79-Y106 CarbonylContact O-C 3.14Å; N79-Y106 VanDerWaalsContact O-CA 3.24Å; N79-Y106 WeakPolarHBondContact O-CA 3.18Å; I94-Y106 HydrophobicContact CG2-CD1 4.29Å; I94-Y106 HydrophobicContact CG2-CE1 3.78Å; F95-Y106 HydrophobicContact CD1-CD2 4.27Å; F95-Y106 HydrophobicContact CD1-CE1 4.18Å; F95-Y106 AromaticContact CD1-CE2 3.86Å; F95-Y106 HydrophobicContact CD1-CE2 3.86Å; F95-Y106 AromaticContact CD1-CZ 3.82Å; F95-Y106 HydrophobicContact CE1-CD1 4.28Å; F95-Y106 HydrophobicContact CE1-CD2 4.04Å; F95-Y106 HydrophobicContact CE1-CE1 4.37Å; F95-Y106 HydrophobicContact CE1-CE2 4.1Å; F95-Y106 HydrophobicContact CE1-CG 4.12Å; G98-Y106 VanDerWaalsContact C-OH 3.31Å; G98-Y106 WeakPolarHBondContact CA-OH 3.38Å; G99-Y106 PolarHBondContact N-OH 3.42Å; G99-Y106 WeakPolarHBondContact O-CE2 3.47Å; G99-Y106 VanDerWaalsContact O-CZ 3.28Å; G99-Y106 PolarHBondContact O-OH 3.11Å; P101-Y106 HydrophobicContact CG-CD2 3.93Å; P101-Y106 HydrophobicContact CG-CE2 4.16Å; Q104-Y106 HydrophobicContact CB-CD2 4.36Å; Q104-Y106 HydrophobicContact CB-CE2 3.58Å; Y106-F108 HydrophobicContact CD1-CE2 4.44Å; Y106-F108 HydrophobicContact CD1-CZ 4.4Å; Y106-F108 HydrophobicContact CG-CE2 4.21Å; Y106-H136 PolarHBondContact N-O 2.83Å; Y106-V137 CarbonylContact O-C 3.53Å; Y106-Y138 WeakPolarHBondContact O-CD2 3.42Å; Y106-Y138 PolarHBondContact O-N 2.93Å
107	L	98.8	Very high	94.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	120	163.7	170.5	63.1	0	0	0	107.8	L72 I74 V78 N79 I80 C81 L109 Y138 T140 A182 V184 C190	L72-L107 HydrophobicContact CD1-CD1 4.49Å; I74-L107 HydrophobicContact CD1-CB 4.43Å; I74-L107 HydrophobicContact CD1-CD1 4.01Å; I74-L107 HydrophobicContact CD1-CD2 4.22Å; I74-L107 HydrophobicContact CD1-CG 4.45Å; V78-L107 HydrophobicContact CG2-CB 3.98Å; N79-L107 PolarHBondContact O-N 3.34Å; I80-L107 CarbonylContact C-O 3.45Å; I80-L107 WeakPolarHBondContact CA-O 3.13Å; I80-L107 HydrophobicContact CD1-CD2 4.4Å; I80-L107 HydrophobicContact CG1-CB 4.4Å; I80-L107 HydrophobicContact CG1-CD2 4.41Å; I80-L107 HydrophobicContact CG2-CD2 4.4Å; C81-L107 PolarHBondContact N-O 3.1Å; L107-L109 HydrophobicContact CD2-CD2 4.05Å; L107-L109 HydrophobicContact CG-CD2 4.08Å; L107-Y138 WeakPolarHBondContact CA-O 3.39Å; L107-T140 HydrophobicContact CD1-CG2 4.06Å; L107-A182 HydrophobicContact CD1-CB 4.17Å; L107-A182 HydrophobicContact CD2-CB 3.83Å; L107-V184 HydrophobicContact CD2-CG2 3.95Å; L107-C190 HydrophobicContact CD2-CB 3.62Å
108	F	98.8	Very high	94.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	135.5	171.1	-63.2	-101.7	0	0	0	110.5	C81 I84 L91 F95 Y106 Y112 L126 Y138 L139 T140	C81-F108 HydrophobicContact CB-CD1 3.46Å; C81-F108 VanDerWaalsContact CB-CD1 3.46Å; C81-F108 HydrophobicContact CB-CE1 3.67Å; C81-F108 HydrophobicContact CB-CG 4.08Å; C81-F108 HydrophobicContact CB-CZ 4.44Å; C81-F108 WeakPolarHBondContact O-CA 3.31Å; I84-F108 HydrophobicContact CD1-CE1 4.38Å; I84-F108 HydrophobicContact CG1-CD1 4.28Å; I84-F108 HydrophobicContact CG1-CE1 4.44Å; L91-F108 HydrophobicContact CD1-CE1 3.6Å; L91-F108 HydrophobicContact CD1-CZ 3.69Å; F95-F108 HydrophobicContact CE1-CE2 4.11Å; F95-F108 AromaticContact CE1-CZ 3.7Å; F95-F108 HydrophobicContact CE1-CZ 3.7Å; F95-F108 HydrophobicContact CZ-CE2 4.14Å; F95-F108 AromaticContact CZ-CZ 3.7Å; F95-F108 HydrophobicContact CZ-CZ 3.7Å; Y106-F108 HydrophobicContact CD1-CE2 4.44Å; Y106-F108 HydrophobicContact CD1-CZ 4.4Å; Y106-F108 HydrophobicContact CG-CE2 4.21Å; F108-Y112 HydrophobicContact CB-CE1 3.58Å; F108-Y112 HydrophobicContact CG-CE1 4.36Å; F108-Y112 PolarHBondContact O-OH 3.34Å; F108-Y112 VanDerWaalsContact O-OH 3.14Å; F108-L126 HydrophobicContact CD1-CD2 4.45Å; F108-L126 HydrophobicContact CD2-CD2 3.89Å; F108-L126 HydrophobicContact CE1-CD2 4.2Å; F108-L126 HydrophobicContact CE2-CD2 3.58Å; F108-L126 HydrophobicContact CG-CD2 4.33Å; F108-L126 HydrophobicContact CZ-CD2 3.76Å; F108-Y138 PolarHBondContact N-O 3.4Å; F108-L139 HydrophobicContact CB-CD2 4.05Å; F108-L139 HydrophobicContact CD2-CD2 3.9Å; F108-L139 HydrophobicContact CG-CD2 4.27Å; F108-T140 PolarHBondContact O-N 2.65Å; F108-T140 PolarHBondContact O-OG1 2.93Å
109	L	98.8	Very high	95.6	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.			trans	-86	-19.5	-168.5	-63.9	-179	0	0	0	114.7	I80 C81 L107 T140 C190 H192 V264 S266	I80-L109 HydrophobicContact CG2-CD1 3.8Å; I80-L109 HydrophobicContact CG2-CD2 3.95Å; I80-L109 HydrophobicContact CG2-CG 3.83Å; C81-L109 WeakPolarHBondContact O-CG 3.48Å; C81-L109 PolarHBondContact O-N 2.93Å; L107-L109 HydrophobicContact CD2-CD2 4.05Å; L107-L109 HydrophobicContact CG-CD2 4.08Å; L109-T140 WeakPolarHBondContact CA-OG1 3.33Å; L109-T140 PolarHBondContact O-OG1 2.81Å; L109-C190 HydrophobicContact CD2-CB 3.88Å; L109-H192 VanDerWaalsContact O-CB 3.29Å; L109-H192 WeakPolarHBondContact O-CB 3.41Å; L109-V264 HydrophobicContact CD1-CG1 4.41Å; L109-S266 WeakPolarHBondContact CB-OG 3.46Å
110	G	98.7	Very high	96	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	141.5	-171.4	-178.8	0	0	0	0	0	112.2
111	D	98.7	Very high	96.3	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.011	14%	0.135	C	C	.	.			trans	53.5	57.7	178.1	-74.5	6.1	0	0	0	112.4	D83 I84 H85 N143 H144 E145 H192	D83-D111 HydrophobicContact CB-CB 4.05Å; I84-D111 PolarHBondContact N-O 3.14Å; H85-D111 IonicContact CE1-OD2 2.72Å; H85-D111 PolarHBondContact N-O 3.46Å; H85-D111 IonicContact NE2-OD2 3.4Å; D111-N143 PolarHBondContact OD1-N 3.04Å; D111-N143 PolarHBondContact OD1-OD1 2.89Å; D111-N143 PolarHBondContact OD2-OD1 2.88Å; D111-H144 HydrophobicContact CB-CB 4.44Å; D111-H144 VanDerWaalsContact OD1-CB 3.29Å; D111-H144 WeakPolarHBondContact OD1-CB 3.41Å; D111-H144 IonicContact OD1-CD2 3.85Å; D111-H144 PolarHBondContact OD1-CD2 3.32Å; D111-H144 IonicContact OD1-CG 2.83Å; D111-H144 PolarHBondContact OD1-N 3.17Å; D111-H144 IonicContact OD2-CD2 3.87Å; D111-H144 PolarHBondContact OD2-CD2 3.29Å; D111-H144 VanDerWaalsContact OD2-CD2 3.3Å; D111-E145 PolarHBondContact N-OE2 3.1Å; D111-H192 IonicContact OD1-CD2 3.93Å; D111-H192 IonicContact OD1-CE1 3.54Å; D111-H192 PolarHBondContact OD1-CE1 3.48Å; D111-H192 IonicContact OD1-NE2 2.76Å; D111-H192 PolarHBondContact OD1-NE2 2.9Å; D111-H192 VanDerWaalsContact OD1-NE2 3.08Å; D111-H192 IonicContact OD2-CE1 3.55Å; D111-H192 PolarHBondContact OD2-CE1 3.28Å; D111-H192 IonicContact OD2-NE2 3.44Å; D111-H192 PolarHBondContact OD2-NE2 3.2Å
112	Y	98.8	Very high	96.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.135	C	C	.	.			trans	-78.5	-34.6	177.7	-50.3	-57.2	0	0	0	111.9	G86 F108 V122 F123 L126 L139 T140 E145 L178	G86-Y112 PolarHBondContact N-O 3.05Å; F108-Y112 HydrophobicContact CB-CE1 3.58Å; F108-Y112 HydrophobicContact CG-CE1 4.36Å; F108-Y112 PolarHBondContact O-OH 3.34Å; F108-Y112 VanDerWaalsContact O-OH 3.14Å; Y112-V122 WeakPolarHBondContact O-CG1 3.42Å; Y112-F123 AromaticContact CD2-CD2 3.62Å; Y112-F123 HydrophobicContact CD2-CD2 3.62Å; Y112-F123 AromaticContact CD2-CE2 3.65Å; Y112-F123 HydrophobicContact CD2-CE2 3.65Å; Y112-F123 HydrophobicContact CE2-CD2 4.37Å; Y112-F123 HydrophobicContact CE2-CE2 4.02Å; Y112-F123 AromaticContact CG-CD2 3.92Å; Y112-F123 HydrophobicContact CG-CD2 3.92Å; Y112-F123 HydrophobicContact CG-CE2 4.39Å; Y112-L126 HydrophobicContact CD1-CD1 3.44Å; Y112-L126 VanDerWaalsContact CD1-CD1 3.44Å; Y112-L126 HydrophobicContact CE1-CD1 3.81Å; Y112-L126 HydrophobicContact CG-CD1 4.04Å; Y112-L139 HydrophobicContact CE1-CD2 4.37Å; Y112-T140 WeakPolarHBondContact CE2-O 2.89Å; Y112-T140 PolarHBondContact OH-N 2.69Å; Y112-T140 PolarHBondContact OH-O 3.46Å; Y112-E145 VanDerWaalsContact CD2-CD 3.45Å; Y112-E145 HydrophobicContact CD2-CG 3.75Å; Y112-E145 WeakPolarHBondContact CD2-OE1 3.48Å; Y112-E145 HydrophobicContact CE2-CG 4.17Å; Y112-E145 PolarHBondContact N-OE1 2.83Å; Y112-L178 HydrophobicContact CE2-CD1 4.36Å
113	V	98.7	Very high	96.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.118	C	C	.	.	S	Bend	trans	-112.6	-176.3	-169.9	-57	0	0	0	0	111.5	H85 F123 H144 E145 N150 F155 F175	H85-V113 PolarHBondContact ND1-O 2.99Å; V113-F123 HydrophobicContact CG1-CB 4.08Å; V113-H144 HydrophobicContact CG2-CB 4.46Å; V113-E145 PolarHBondContact N-OE1 2.65Å; V113-N150 WeakPolarHBondContact CG2-ND2 3.43Å; V113-F155 HydrophobicContact CB-CB 4.06Å; V113-F155 HydrophobicContact CB-CD1 4.06Å; V113-F155 HydrophobicContact CB-CD2 3.6Å; V113-F155 HydrophobicContact CB-CE1 4.4Å; V113-F155 HydrophobicContact CB-CE2 3.97Å; V113-F155 HydrophobicContact CB-CG 3.64Å; V113-F155 HydrophobicContact CB-CZ 4.36Å; V113-F155 HydrophobicContact CG1-CD1 4.19Å; V113-F155 HydrophobicContact CG1-CD2 3.74Å; V113-F155 HydrophobicContact CG1-CE1 4.02Å; V113-F155 HydrophobicContact CG1-CE2 3.54Å; V113-F155 HydrophobicContact CG1-CG 4.06Å; V113-F155 HydrophobicContact CG1-CZ 3.69Å; V113-F155 HydrophobicContact CG2-CB 4.11Å; V113-F155 HydrophobicContact CG2-CD1 3.94Å; V113-F155 HydrophobicContact CG2-CD2 4.35Å; V113-F155 HydrophobicContact CG2-CE1 4.44Å; V113-F155 HydrophobicContact CG2-CG 3.88Å; V113-F175 HydrophobicContact CG1-CZ 4.13Å; V113-F175 HydrophobicContact CG2-CZ 4.18Å
114	D	98.1	Very high	97	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.095	C	C	.	.	S	Bend	trans	62	164.8	-177.9	-73.8	-38	0	0	0	114.2	H85 G116 H144 N150 G154 F155	H85-D114 CarbonylContact C-O 3.53Å; H85-D114 VanDerWaalsContact C-O 3.25Å; H85-D114 WeakPolarHBondContact CA-O 3.27Å; H85-D114 PolarHBondContact ND1-O 2.77Å; D114-G116 PolarHBondContact O-N 3.02Å; D114-H144 HydrophobicContact CB-CB 4.4Å; D114-H144 WeakPolarHBondContact CB-ND1 3.42Å; D114-H144 IonicContact OD2-CE1 3.84Å; D114-H144 IonicContact OD2-CG 2.69Å; D114-H144 IonicContact OD2-ND1 2.76Å; D114-H144 PolarHBondContact OD2-ND1 2.79Å; D114-N150 WeakPolarHBondContact OD1-CA 3.23Å; D114-N150 WeakPolarHBondContact OD2-CA 3.41Å; D114-N150 PolarHBondContact OD2-N 3.29Å; D114-N150 PolarHBondContact OD2-ND2 2.89Å; D114-G154 PolarHBondContact OD1-N 2.85Å; D114-F155 WeakPolarHBondContact OD1-CB 3.37Å; D114-F155 PolarHBondContact OD1-N 3.3Å
115	R	95.2	Very high	97.2	Very high	100 Å²	100	17.9 Å²	17.9	38%	0.377	9%	0.085	S	C	.	.	S	Bend	trans	66.1	-48.5	-179.6	-49.9	-69.4	-170.9	85.2	13	115.2	H85 Y153 Y291	H85-R115 HydrophobicContact CB-CB 4.2Å; R115-Y153 PolarHBondContact N-O 2.8Å; R115-Y291 VanDerWaalsContact CZ-OH 3.27Å; R115-Y291 PolarHBondContact NH1-OH 3.21Å
116	G	93.4	Very high	97.3	Very high	34 Å²	34	15.2 Å²	15.2	35%	0.351	8%	0.075	S	C	.	.	S	Bend	trans	-82.7	-175.2	173.1	0	0	0	0	0	113	H85 D114	H85-G116 WeakPolarHBondContact O-CA 3.04Å; H85-G116 PolarHBondContact O-N 2.61Å; D114-G116 PolarHBondContact O-N 3.02Å
117	K	92.8	Very high	97.3	Very high	145 Å²	145	15.2 Å²	15.2	63%	0.63	8%	0.075	S	C	*	.	S	Bend	trans	-109.1	-12.6	-172.7	72.6	-170.6	179.2	-169.7	0	113.9	G86	G86-K117 PolarHBondContact O-N 2.85Å
118	D	94.4	Very high	97.2	Very high	22 Å²	22	15.2 Å²	15.2	12%	0.118	8%	0.075	C	C	.	.			trans	-119.9	35.7	-172.6	-52.6	-60.9	0	0	0	110.4	G86 F88 V120 E121 V122	G86-D118 WeakPolarHBondContact O-CB 3.31Å; G86-D118 PolarHBondContact O-N 2.85Å; F88-D118 HydrophobicContact CB-CB 3.75Å; D118-V120 VanDerWaalsContact C-N 3.31Å; D118-V120 PolarHBondContact O-N 3.35Å; D118-E121 WeakPolarHBondContact CA-OE2 3.3Å; D118-E121 HydrophobicContact CB-CB 4.15Å; D118-E121 HydrophobicContact CB-CG 4.47Å; D118-E121 PolarHBondContact O-N 3.31Å; D118-V122 WeakPolarHBondContact O-CB 3.25Å; D118-V122 VanDerWaalsContact O-CG2 3.31Å; D118-V122 WeakPolarHBondContact O-CG2 2.9Å; D118-V122 PolarHBondContact O-N 3.23Å
119	G	97.1	Very high	97.1	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-62.3	-38	-178.5	0	0	0	0	0	112.6	F123 E158	G119-F123 WeakPolarHBondContact O-CB 3.47Å; G119-F123 PolarHBondContact O-N 2.97Å; G119-E158 PolarHBondContact N-OE1 2.92Å; G119-E158 PolarHBondContact N-OE2 2.82Å
120	V	97	Very high	97.1	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-65.8	-46.7	175.6	169.8	0	0	0	0	109.8	M54 D118 T124 F155 E158 R162 F163 F171	M54-V120 HydrophobicContact CE-CG1 4.01Å; D118-V120 VanDerWaalsContact C-N 3.31Å; D118-V120 PolarHBondContact O-N 3.35Å; V120-T124 WeakPolarHBondContact O-CB 3.48Å; V120-T124 PolarHBondContact O-N 2.76Å; V120-T124 PolarHBondContact O-OG1 3.07Å; V120-F155 HydrophobicContact CB-CE2 4.44Å; V120-F155 HydrophobicContact CG2-CD2 4.49Å; V120-F155 HydrophobicContact CG2-CE2 3.66Å; V120-F155 HydrophobicContact CG2-CZ 4.26Å; V120-E158 WeakPolarHBondContact CB-OE1 3.45Å; V120-E158 HydrophobicContact CG2-CG 4.15Å; V120-E158 WeakPolarHBondContact CG2-OE1 3.26Å; V120-E158 PolarHBondContact N-OE1 2.75Å; V120-R162 VanDerWaalsContact CB-NH1 3.31Å; V120-F163 HydrophobicContact CG1-CE2 3.82Å; V120-F171 HydrophobicContact CG1-CZ 4.38Å
121	E	95.6	Very high	97	Very high	12 Å²	12	17 Å²	17	6%	0.056	8%	0.084	C	C	.	.	H	α-helix	trans	-59	-50	176.7	-77.9	74.1	-165.4	0	0	111.4	A46 F88 D118 T124 L125 R162	A46-E121 HydrophobicContact CB-CG 4.35Å; F88-E121 HydrophobicContact CB-CB 4.39Å; F88-E121 HydrophobicContact CD2-CB 3.55Å; F88-E121 HydrophobicContact CE2-CB 3.9Å; F88-E121 HydrophobicContact CG-CB 4.02Å; D118-E121 WeakPolarHBondContact CA-OE2 3.3Å; D118-E121 HydrophobicContact CB-CB 4.15Å; D118-E121 HydrophobicContact CB-CG 4.47Å; D118-E121 PolarHBondContact O-N 3.31Å; E121-T124 PolarHBondContact O-N 2.91Å; E121-L125 WeakPolarHBondContact O-CB 3.46Å; E121-L125 PolarHBondContact O-N 3.04Å; E121-R162 IonicContact OE1-CZ 3.48Å; E121-R162 IonicContact OE1-NH1 2.67Å; E121-R162 PolarHBondContact OE1-NH1 3.06Å; E121-R162 IonicContact OE1-NH2 3.73Å; E121-R162 PolarHBondContact OE1-NH2 2.76Å; E121-R162 IonicContact OE2-CZ 3.3Å; E121-R162 IonicContact OE2-NH1 3.6Å; E121-R162 PolarHBondContact OE2-NH1 2.82Å
122	V	97.1	Very high	96.8	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-56.1	-56.4	-179.3	163.4	0	0	0	0	110.3	I84 F88 L91 Y112 D118 T124 L125 L126	I84-V122 HydrophobicContact CB-CG1 4.26Å; I84-V122 HydrophobicContact CG2-CB 4.48Å; I84-V122 HydrophobicContact CG2-CG1 3.64Å; I84-V122 HydrophobicContact CG2-CG2 3.93Å; F88-V122 HydrophobicContact CB-CG2 4.12Å; F88-V122 HydrophobicContact CD2-CG2 4.24Å; L91-V122 HydrophobicContact CD2-CB 4.47Å; L91-V122 HydrophobicContact CD2-CG1 4.16Å; L91-V122 HydrophobicContact CD2-CG2 4.44Å; Y112-V122 WeakPolarHBondContact O-CG1 3.42Å; D118-V122 WeakPolarHBondContact O-CB 3.25Å; D118-V122 VanDerWaalsContact O-CG2 3.31Å; D118-V122 WeakPolarHBondContact O-CG2 2.9Å; D118-V122 PolarHBondContact O-N 3.23Å; V122-T124 PolarHBondContact O-N 2.94Å; V122-L125 PolarHBondContact O-N 2.95Å; V122-L126 HydrophobicContact CG1-CD1 4.19Å; V122-L126 WeakPolarHBondContact O-CG 3.36Å; V122-L126 PolarHBondContact O-N 2.84Å; V122-L126 VanDerWaalsContact O-N 3.11Å
123	F	98.5	Very high	96.7	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-70.7	-35.2	-174.6	-165.7	-126.2	0	0	0	111.6	Y112 V113 G119 L125 L126 L127 L139 F171 V174 F175 L178	Y112-F123 AromaticContact CD2-CD2 3.62Å; Y112-F123 HydrophobicContact CD2-CD2 3.62Å; Y112-F123 AromaticContact CD2-CE2 3.65Å; Y112-F123 HydrophobicContact CD2-CE2 3.65Å; Y112-F123 HydrophobicContact CE2-CD2 4.37Å; Y112-F123 HydrophobicContact CE2-CE2 4.02Å; Y112-F123 AromaticContact CG-CD2 3.92Å; Y112-F123 HydrophobicContact CG-CD2 3.92Å; Y112-F123 HydrophobicContact CG-CE2 4.39Å; V113-F123 HydrophobicContact CG1-CB 4.08Å; G119-F123 WeakPolarHBondContact O-CB 3.47Å; G119-F123 PolarHBondContact O-N 2.97Å; F123-L125 PolarHBondContact O-N 3.47Å; F123-L126 PolarHBondContact O-N 2.95Å; F123-L127 HydrophobicContact CD1-CD1 3.98Å; F123-L127 HydrophobicContact CD1-CG 4.22Å; F123-L127 HydrophobicContact CE1-CD1 3.77Å; F123-L127 HydrophobicContact CE1-CD2 4.05Å; F123-L127 HydrophobicContact CE1-CG 4Å; F123-L127 HydrophobicContact CE2-CD2 4.13Å; F123-L127 HydrophobicContact CE2-CG 4.37Å; F123-L127 HydrophobicContact CG-CG 4.48Å; F123-L127 HydrophobicContact CZ-CD1 4.31Å; F123-L127 HydrophobicContact CZ-CD2 3.72Å; F123-L127 HydrophobicContact CZ-CG 4.08Å; F123-L127 WeakPolarHBondContact O-CB 3.36Å; F123-L127 VanDerWaalsContact O-CG 3.25Å; F123-L127 WeakPolarHBondContact O-CG 3.25Å; F123-L127 PolarHBondContact O-N 3.18Å; F123-L139 HydrophobicContact CE2-CD1 4.27Å; F123-F171 AromaticContact CD1-CD1 3.69Å; F123-F171 HydrophobicContact CD1-CD1 3.69Å; F123-F171 AromaticContact CD1-CE1 3.72Å; F123-F171 HydrophobicContact CD1-CE1 3.72Å; F123-F171 HydrophobicContact CE1-CD1 4.05Å; F123-F171 HydrophobicContact CE1-CE1 4.42Å; F123-V174 HydrophobicContact CE1-CG1 4.1Å; F123-V174 HydrophobicContact CZ-CG1 4.08Å; F123-F175 AromaticContact CD1-CE1 3.6Å; F123-F175 HydrophobicContact CD1-CE1 3.6Å; F123-F175 HydrophobicContact CD1-CZ 4.12Å; F123-F175 HydrophobicContact CD2-CE1 4.4Å; F123-F175 AromaticContact CE1-CD1 3.77Å; F123-F175 HydrophobicContact CE1-CD1 3.77Å; F123-F175 AromaticContact CE1-CE1 3.2Å; F123-F175 HydrophobicContact CE1-CE1 3.2Å; F123-F175 HydrophobicContact CE1-CZ 4.09Å; F123-F175 HydrophobicContact CE2-CE1 4.06Å; F123-F175 HydrophobicContact CG-CE1 4.21Å; F123-F175 AromaticContact CZ-CD1 3.78Å; F123-F175 HydrophobicContact CZ-CD1 3.78Å; F123-F175 AromaticContact CZ-CE1 3.46Å; F123-F175 HydrophobicContact CZ-CE1 3.46Å; F123-F175 VanDerWaalsContact CZ-CE1 3.46Å; F123-L178 HydrophobicContact CE2-CD1 4.45Å; F123-L178 HydrophobicContact CZ-CD1 4.23Å; F123-L178 HydrophobicContact CZ-CD2 4.49Å
124	T	98	Very high	96.6	Very high	4 Å²	4	23.3 Å²	23.3	3%	0.025	11%	0.114	C	C	.	.	H	α-helix	trans	-62.2	-43.2	175.1	-57.1	0	0	0	0	112	V40 M54 I57 V120 E121 V122 L127 L128	V40-T124 HydrophobicContact CG2-CG2 3.98Å; M54-T124 HydrophobicContact CE-CG2 4.09Å; M54-T124 VanDerWaalsContact CE-OG1 3.29Å; M54-T124 WeakPolarHBondContact CE-OG1 3.5Å; I57-T124 HydrophobicContact CD1-CG2 3.85Å; V120-T124 WeakPolarHBondContact O-CB 3.48Å; V120-T124 PolarHBondContact O-N 2.76Å; V120-T124 PolarHBondContact O-OG1 3.07Å; E121-T124 PolarHBondContact O-N 2.91Å; V122-T124 PolarHBondContact O-N 2.94Å; T124-L127 PolarHBondContact O-N 3.48Å; T124-L128 HydrophobicContact CG2-CD1 4.02Å; T124-L128 HydrophobicContact CG2-CG 4.46Å; T124-L128 WeakPolarHBondContact O-CB 3.23Å; T124-L128 WeakPolarHBondContact O-CG 3.17Å; T124-L128 PolarHBondContact O-N 3.38Å
125	L	97	Very high	96.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.6	-46.1	176.5	176.7	58	0	0	0	111.1	L37 V40 L41 F88 L91 L92 F95 E121 V122 F123 L127 L128 L129	L37-L125 HydrophobicContact CD2-CD1 3.84Å; V40-L125 HydrophobicContact CG1-CB 3.94Å; V40-L125 HydrophobicContact CG1-CD1 4.48Å; L41-L125 HydrophobicContact CD2-CD1 3.75Å; L41-L125 HydrophobicContact CD2-CD2 3.88Å; L41-L125 HydrophobicContact CG-CD1 4.23Å; F88-L125 HydrophobicContact CD2-CD2 4.49Å; F88-L125 HydrophobicContact CE2-CB 4.04Å; F88-L125 HydrophobicContact CE2-CD2 3.58Å; F88-L125 HydrophobicContact CE2-CG 4.43Å; F88-L125 HydrophobicContact CZ-CD2 4.02Å; L91-L125 HydrophobicContact CD2-CB 4.47Å; L91-L125 HydrophobicContact CD2-CD2 3.85Å; L91-L125 HydrophobicContact CD2-CG 4.38Å; L91-L125 HydrophobicContact CG-CD2 4.37Å; L92-L125 HydrophobicContact CD2-CD2 4Å; F95-L125 HydrophobicContact CE2-CD2 4.27Å; E121-L125 WeakPolarHBondContact O-CB 3.46Å; E121-L125 PolarHBondContact O-N 3.04Å; V122-L125 PolarHBondContact O-N 2.95Å; F123-L125 PolarHBondContact O-N 3.47Å; L125-L127 PolarHBondContact O-N 2.99Å; L125-L128 PolarHBondContact O-N 3.44Å; L125-L129 HydrophobicContact CD1-CD1 3.95Å; L125-L129 HydrophobicContact CD1-CG 4.05Å; L125-L129 HydrophobicContact CG-CD1 3.98Å; L125-L129 HydrophobicContact CG-CG 4.49Å; L125-L129 WeakPolarHBondContact O-CB 3.21Å; L125-L129 WeakPolarHBondContact O-CG 3.33Å; L125-L129 PolarHBondContact O-N 3.21Å
126	L	98.5	Very high	96.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-61.5	-43	177.5	-69.8	173.8	0	0	0	112.2	L91 F95 F108 Y112 V122 F123 L129 K130 L139	L91-L126 HydrophobicContact CD1-CD2 4.12Å; L91-L126 HydrophobicContact CD2-CD2 4.26Å; L91-L126 HydrophobicContact CD2-CG 4.12Å; F95-L126 HydrophobicContact CZ-CD2 4.25Å; F108-L126 HydrophobicContact CD1-CD2 4.45Å; F108-L126 HydrophobicContact CD2-CD2 3.89Å; F108-L126 HydrophobicContact CE1-CD2 4.2Å; F108-L126 HydrophobicContact CE2-CD2 3.58Å; F108-L126 HydrophobicContact CG-CD2 4.33Å; F108-L126 HydrophobicContact CZ-CD2 3.76Å; Y112-L126 HydrophobicContact CD1-CD1 3.44Å; Y112-L126 VanDerWaalsContact CD1-CD1 3.44Å; Y112-L126 HydrophobicContact CE1-CD1 3.81Å; Y112-L126 HydrophobicContact CG-CD1 4.04Å; V122-L126 HydrophobicContact CG1-CD1 4.19Å; V122-L126 WeakPolarHBondContact O-CG 3.36Å; V122-L126 PolarHBondContact O-N 2.84Å; V122-L126 VanDerWaalsContact O-N 3.11Å; F123-L126 PolarHBondContact O-N 2.95Å; L126-L129 PolarHBondContact O-N 2.95Å; L126-K130 VanDerWaalsContact O-CB 3.28Å; L126-K130 WeakPolarHBondContact O-CB 3.45Å; L126-K130 PolarHBondContact O-N 3.41Å; L126-L139 HydrophobicContact CB-CD1 4.03Å; L126-L139 HydrophobicContact CB-CD2 4.12Å; L126-L139 HydrophobicContact CD1-CD2 4.24Å; L126-L139 HydrophobicContact CD2-CD2 4.17Å; L126-L139 HydrophobicContact CG-CD2 4.41Å
127	L	98.5	Very high	96.9	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.4	-46.5	176.1	-71.7	-176.9	0	0	0	112	I57 L58 F65 F123 T124 L125 K130 L131 L139 V174	I57-L127 HydrophobicContact CG2-CB 4.12Å; I57-L127 HydrophobicContact CG2-CD1 4.1Å; L58-L127 HydrophobicContact CD2-CD1 3.9Å; F65-L127 HydrophobicContact CE2-CD2 3.66Å; F65-L127 HydrophobicContact CZ-CD2 4.31Å; F123-L127 HydrophobicContact CD1-CD1 3.98Å; F123-L127 HydrophobicContact CD1-CG 4.22Å; F123-L127 HydrophobicContact CE1-CD1 3.77Å; F123-L127 HydrophobicContact CE1-CD2 4.05Å; F123-L127 HydrophobicContact CE1-CG 4Å; F123-L127 HydrophobicContact CE2-CD2 4.13Å; F123-L127 HydrophobicContact CE2-CG 4.37Å; F123-L127 HydrophobicContact CG-CG 4.48Å; F123-L127 HydrophobicContact CZ-CD1 4.31Å; F123-L127 HydrophobicContact CZ-CD2 3.72Å; F123-L127 HydrophobicContact CZ-CG 4.08Å; F123-L127 WeakPolarHBondContact O-CB 3.36Å; F123-L127 VanDerWaalsContact O-CG 3.25Å; F123-L127 WeakPolarHBondContact O-CG 3.25Å; F123-L127 PolarHBondContact O-N 3.18Å; T124-L127 PolarHBondContact O-N 3.48Å; L125-L127 PolarHBondContact O-N 2.99Å; L127-K130 PolarHBondContact O-N 2.92Å; L127-L131 WeakPolarHBondContact O-CB 3.43Å; L127-L131 VanDerWaalsContact O-CG 3.28Å; L127-L131 WeakPolarHBondContact O-CG 3.4Å; L127-L131 PolarHBondContact O-N 3.31Å; L127-L139 HydrophobicContact CD2-CD1 4.49Å; L127-V174 HydrophobicContact CD2-CG1 4.16Å
128	L	97.6	Very high	97.2	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-65.2	-42	179.1	-72.9	170.1	0	0	0	111.9	L28 T33 L36 L37 V40 I57 T124 L125 L131 R132	L28-L128 HydrophobicContact CD1-CD2 4.03Å; T33-L128 HydrophobicContact CG2-CB 4.45Å; T33-L128 HydrophobicContact CG2-CD2 3.98Å; T33-L128 WeakPolarHBondContact CG2-O 3.24Å; L36-L128 HydrophobicContact CB-CD1 3.9Å; L36-L128 HydrophobicContact CB-CD2 3.77Å; L36-L128 HydrophobicContact CD1-CD2 4.13Å; L37-L128 HydrophobicContact CD2-CB 3.36Å; L37-L128 HydrophobicContact CD2-CD1 4.28Å; L37-L128 HydrophobicContact CD2-CG 4.45Å; L37-L128 HydrophobicContact CG-CB 3.75Å; L37-L128 HydrophobicContact CG-CD1 4.47Å; V40-L128 HydrophobicContact CB-CD1 4.29Å; V40-L128 HydrophobicContact CG2-CD1 3.74Å; I57-L128 HydrophobicContact CD1-CD1 4.44Å; I57-L128 HydrophobicContact CD1-CD2 4.17Å; I57-L128 HydrophobicContact CD1-CG 4.44Å; I57-L128 HydrophobicContact CG1-CD2 3.98Å; I57-L128 HydrophobicContact CG2-CD2 4.5Å; T124-L128 HydrophobicContact CG2-CD1 4.02Å; T124-L128 HydrophobicContact CG2-CG 4.46Å; T124-L128 WeakPolarHBondContact O-CB 3.23Å; T124-L128 WeakPolarHBondContact O-CG 3.17Å; T124-L128 PolarHBondContact O-N 3.38Å; L125-L128 PolarHBondContact O-N 3.44Å; L128-L131 PolarHBondContact O-N 3.42Å; L128-R132 VanDerWaalsContact O-CB 3.28Å; L128-R132 WeakPolarHBondContact O-CB 3.34Å; L128-R132 PolarHBondContact O-N 3.46Å
129	L	97.2	Very high	97.4	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.005	9%	0.085	C	C	.	.	H	α-helix	trans	-64.5	-40.3	175.1	-71.7	171.4	0	0	0	111.5	L37 F95 L125 L126 R132 Y133 V137	L37-L129 HydrophobicContact CD1-CD2 4.38Å; L37-L129 HydrophobicContact CD2-CD2 3.87Å; L37-L129 HydrophobicContact CD2-CG 3.9Å; F95-L129 HydrophobicContact CD2-CD1 4.49Å; F95-L129 HydrophobicContact CE2-CD1 3.62Å; F95-L129 HydrophobicContact CZ-CD1 3.66Å; L125-L129 HydrophobicContact CD1-CD1 3.95Å; L125-L129 HydrophobicContact CD1-CG 4.05Å; L125-L129 HydrophobicContact CG-CD1 3.98Å; L125-L129 HydrophobicContact CG-CG 4.49Å; L125-L129 WeakPolarHBondContact O-CB 3.21Å; L125-L129 WeakPolarHBondContact O-CG 3.33Å; L125-L129 PolarHBondContact O-N 3.21Å; L126-L129 PolarHBondContact O-N 2.95Å; L129-R132 PolarHBondContact O-N 3.35Å; L129-Y133 HydrophobicContact CD2-CD2 4.29Å; L129-Y133 HydrophobicContact CD2-CE2 4.37Å; L129-Y133 PolarHBondContact O-N 3.22Å; L129-V137 HydrophobicContact CB-CG2 3.98Å
130	K	97.9	Very high	97.5	Very high	1 Å²	1	16.3 Å²	16.3	0%	0.004	9%	0.085	C	C	.	.	H	α-helix	trans	-60.4	-49.9	173.8	175.8	65.6	-177.9	176.6	0	111.8	F64 F65 E68 L126 L127 R132 Y133 P134 V137	F64-K130 HydrophobicContact CE1-CD 4.32Å; F64-K130 HydrophobicContact CE1-CG 4.41Å; F65-K130 HydrophobicContact CE1-CD 4.49Å; F65-K130 HydrophobicContact CE1-CG 4.19Å; F65-K130 HydrophobicContact CZ-CG 3.82Å; E68-K130 WeakPolarHBondContact OE1-CE 3.43Å; E68-K130 IonicContact OE1-NZ 3.82Å; E68-K130 PolarHBondContact OE1-NZ 3.11Å; E68-K130 WeakPolarHBondContact OE2-CE 3.14Å; E68-K130 IonicContact OE2-NZ 3.18Å; L126-K130 VanDerWaalsContact O-CB 3.28Å; L126-K130 WeakPolarHBondContact O-CB 3.45Å; L126-K130 PolarHBondContact O-N 3.41Å; L127-K130 PolarHBondContact O-N 2.92Å; K130-R132 VanDerWaalsContact C-N 3.26Å; K130-R132 PolarHBondContact O-N 2.86Å; K130-Y133 CarbonylContact O-C 3.53Å; K130-P134 PolarHBondContact NZ-O 3.45Å; K130-P134 WeakPolarHBondContact O-CA 3.45Å; K130-P134 VanDerWaalsContact O-N 3.13Å; K130-V137 HydrophobicContact CB-CG1 4.39Å; K130-V137 WeakPolarHBondContact CD-O 3.46Å; K130-V137 WeakPolarHBondContact CE-O 3.41Å; K130-V137 PolarHBondContact NZ-O 3.48Å
131	L	96.8	Very high	97.5	Very high	35 Å²	35	16.4 Å²	16.4	18%	0.183	9%	0.085	C	C	.	.	H	α-helix	trans	-62.3	-36.6	178.9	-72.6	173.7	0	0	0	111.7	L28 T33 F64 L127 L128	L28-L131 HydrophobicContact CD1-CD1 4.01Å; T33-L131 HydrophobicContact CG2-CB 4.29Å; F64-L131 HydrophobicContact CB-CD2 3.96Å; F64-L131 HydrophobicContact CD2-CD2 4.38Å; F64-L131 HydrophobicContact CG-CD2 4.29Å; L127-L131 WeakPolarHBondContact O-CB 3.43Å; L127-L131 VanDerWaalsContact O-CG 3.28Å; L127-L131 WeakPolarHBondContact O-CG 3.4Å; L127-L131 PolarHBondContact O-N 3.31Å; L128-L131 PolarHBondContact O-N 3.42Å
132	R	95.2	Very high	97.7	Very high	66 Å²	66	15.9 Å²	15.9	25%	0.249	8%	0.083	C	C	.	.	H	α-helix	trans	-79.3	-38.3	-178.1	-174.1	54.7	-175.9	87.2	8.6	114	T33 E34 L37 L128 L129 K130	T33-R132 HydrophobicContact CG2-CB 3.81Å; E34-R132 WeakPolarHBondContact OE1-CD 3.49Å; E34-R132 VanDerWaalsContact OE1-CG 3.27Å; E34-R132 WeakPolarHBondContact OE1-CG 3.5Å; E34-R132 IonicContact OE1-CZ 3.71Å; E34-R132 IonicContact OE1-NE 3.36Å; E34-R132 PolarHBondContact OE1-NE 3.44Å; E34-R132 IonicContact OE1-NH2 3.14Å; E34-R132 PolarHBondContact OE1-NH2 2.89Å; L37-R132 HydrophobicContact CD1-CB 3.97Å; L37-R132 HydrophobicContact CD1-CG 4.1Å; L128-R132 VanDerWaalsContact O-CB 3.28Å; L128-R132 WeakPolarHBondContact O-CB 3.34Å; L128-R132 PolarHBondContact O-N 3.46Å; L129-R132 PolarHBondContact O-N 3.35Å; K130-R132 VanDerWaalsContact C-N 3.26Å; K130-R132 PolarHBondContact O-N 2.86Å
133	Y	95.5	Very high	97.8	Very high	20 Å²	20	16 Å²	16	8%	0.078	8%	0.083	C	C	.	.			trans	-130.1	65.1	-174.8	-51.9	-64.7	0	0	0	110.7	E34 P101 P102 L129 K130 S135 H136 V137 Y340	E34-Y133 PolarHBondContact OE1-OH 2.67Å; P101-Y133 HydrophobicContact CB-CD2 3.95Å; P101-Y133 HydrophobicContact CB-CG 4.44Å; P102-Y133 HydrophobicContact CB-CD1 3.73Å; P102-Y133 HydrophobicContact CB-CE1 4.05Å; P102-Y133 HydrophobicContact CB-CG 4.18Å; P102-Y133 HydrophobicContact CG-CD1 3.99Å; P102-Y133 HydrophobicContact CG-CE1 3.75Å; L129-Y133 HydrophobicContact CD2-CD2 4.29Å; L129-Y133 HydrophobicContact CD2-CE2 4.37Å; L129-Y133 PolarHBondContact O-N 3.22Å; K130-Y133 CarbonylContact O-C 3.53Å; Y133-S135 PolarHBondContact O-N 3.41Å; Y133-S135 VanDerWaalsContact O-N 3.08Å; Y133-H136 PolarHBondContact O-N 3.42Å; Y133-V137 PolarHBondContact O-N 2.99Å; Y133-V137 VanDerWaalsContact O-N 3.15Å; Y133-Y340 HydrophobicContact CE2-CD2 4.23Å; Y133-Y340 HydrophobicContact CE2-CE2 4.28Å; Y133-Y340 WeakPolarHBondContact OH-CE2 3.32Å
134	P	96.5	Very high	97.8	Very high	50 Å²	50	16 Å²	16	33%	0.325	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-25.2	-168.8	22.9	-35	0	0	0	115	F64 K130	F64-P134 HydrophobicContact CE2-CB 3.6Å; F64-P134 HydrophobicContact CE2-CG 4.44Å; F64-P134 HydrophobicContact CZ-CB 3.51Å; K130-P134 PolarHBondContact NZ-O 3.45Å; K130-P134 WeakPolarHBondContact O-CA 3.45Å; K130-P134 VanDerWaalsContact O-N 3.13Å
135	S	97	Very high	97.8	Very high	70 Å²	70	15.9 Å²	15.9	49%	0.49	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	9.1	176	-46.3	0	0	0	0	114	R105 Y133 Y138	R105-S135 VanDerWaalsContact CD-O 3.22Å; R105-S135 WeakPolarHBondContact CD-O 3.28Å; Y133-S135 PolarHBondContact O-N 3.41Å; Y133-S135 VanDerWaalsContact O-N 3.08Å; S135-Y138 PolarHBondContact O-OH 2.89Å; S135-Y138 VanDerWaalsContact O-OH 3.13Å
136	H	97.7	Very high	97.9	Very high	57 Å²	57	16.7 Å²	16.7	26%	0.264	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.8	-20.6	-179	-56.8	75.8	0	0	0	113.2	P101 P102 R105 Y106 Y133	P101-H136 HydrophobicContact CB-CB 4.39Å; P102-H136 PolarHBondContact O-CD2 2.92Å; P102-H136 PolarHBondContact O-NE2 3.35Å; R105-H136 CarbonylContact C-O 3.54Å; R105-H136 WeakPolarHBondContact CA-O 3.35Å; R105-H136 HydrophobicContact CG-CB 4.17Å; Y106-H136 PolarHBondContact N-O 2.83Å; Y133-H136 PolarHBondContact O-N 3.42Å
137	V	98.5	Very high	97.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	127.8	172.7	179.4	0	0	0	0	108.2	P101 Y106 L129 K130 Y133 L139	P101-V137 HydrophobicContact CB-CG2 4Å; P101-V137 HydrophobicContact CG-CG2 3.61Å; Y106-V137 CarbonylContact O-C 3.53Å; L129-V137 HydrophobicContact CB-CG2 3.98Å; K130-V137 HydrophobicContact CB-CG1 4.39Å; K130-V137 WeakPolarHBondContact CD-O 3.46Å; K130-V137 WeakPolarHBondContact CE-O 3.41Å; K130-V137 PolarHBondContact NZ-O 3.48Å; Y133-V137 PolarHBondContact O-N 2.99Å; Y133-V137 VanDerWaalsContact O-N 3.15Å; V137-L139 HydrophobicContact CG1-CD2 4.01Å; V137-L139 HydrophobicContact CG1-CG 4.43Å
138	Y	98.8	Very high	97.8	Very high	27 Å²	27	25.3 Å²	25.3	11%	0.106	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	134.3	179.3	-58.3	-87.3	0	0	0	107.9	L72 I74 Y106 L107 F108 S135	L72-Y138 HydrophobicContact CD1-CD1 4.23Å; I74-Y138 HydrophobicContact CD1-CD1 3.68Å; I74-Y138 HydrophobicContact CD1-CD2 3.84Å; I74-Y138 HydrophobicContact CD1-CE1 4.2Å; I74-Y138 HydrophobicContact CD1-CE2 4.36Å; I74-Y138 HydrophobicContact CD1-CG 3.46Å; I74-Y138 VanDerWaalsContact CD1-CG 3.46Å; I74-Y138 HydrophobicContact CG1-CD1 3.84Å; I74-Y138 HydrophobicContact CG1-CD2 4.31Å; I74-Y138 HydrophobicContact CG1-CE1 3.86Å; I74-Y138 HydrophobicContact CG1-CE2 4.35Å; I74-Y138 HydrophobicContact CG1-CG 4.05Å; I74-Y138 HydrophobicContact CG2-CD2 4.19Å; I74-Y138 HydrophobicContact CG2-CE2 3.82Å; Y106-Y138 WeakPolarHBondContact O-CD2 3.42Å; Y106-Y138 PolarHBondContact O-N 2.93Å; L107-Y138 WeakPolarHBondContact CA-O 3.39Å; F108-Y138 PolarHBondContact N-O 3.4Å; S135-Y138 PolarHBondContact O-OH 2.89Å; S135-Y138 VanDerWaalsContact O-OH 3.13Å
139	L	98.9	Very high	97.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	126	-177.7	-55	-178.1	0	0	0	107.7	F65 F108 Y112 F123 L126 L127 V137 L178 P179	F65-L139 HydrophobicContact CZ-CD1 4.06Å; F108-L139 HydrophobicContact CB-CD2 4.05Å; F108-L139 HydrophobicContact CD2-CD2 3.9Å; F108-L139 HydrophobicContact CG-CD2 4.27Å; Y112-L139 HydrophobicContact CE1-CD2 4.37Å; F123-L139 HydrophobicContact CE2-CD1 4.27Å; L126-L139 HydrophobicContact CB-CD1 4.03Å; L126-L139 HydrophobicContact CB-CD2 4.12Å; L126-L139 HydrophobicContact CD1-CD2 4.24Å; L126-L139 HydrophobicContact CD2-CD2 4.17Å; L126-L139 HydrophobicContact CG-CD2 4.41Å; L127-L139 HydrophobicContact CD2-CD1 4.49Å; V137-L139 HydrophobicContact CG1-CD2 4.01Å; V137-L139 HydrophobicContact CG1-CG 4.43Å; L139-L178 HydrophobicContact CB-CD2 4.41Å; L139-P179 WeakPolarHBondContact O-CD 3.28Å; L139-P179 WeakPolarHBondContact O-CG 3.42Å
140	T	98.8	Very high	97.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.129	C	C	.	.			trans	-101.7	173.4	162.9	56.3	0	0	0	0	110.2	L72 L107 F108 L109 Y112 P179 A182	L72-T140 HydrophobicContact CD1-CG2 4.25Å; L107-T140 HydrophobicContact CD1-CG2 4.06Å; F108-T140 PolarHBondContact O-N 2.65Å; F108-T140 PolarHBondContact O-OG1 2.93Å; L109-T140 WeakPolarHBondContact CA-OG1 3.33Å; L109-T140 PolarHBondContact O-OG1 2.81Å; Y112-T140 WeakPolarHBondContact CE2-O 2.89Å; Y112-T140 PolarHBondContact OH-N 2.69Å; Y112-T140 PolarHBondContact OH-O 3.46Å; T140-P179 CarbonylContact C-O 3.57Å; T140-P179 VanDerWaalsContact CA-O 3.23Å; T140-P179 WeakPolarHBondContact CA-O 3.45Å; T140-P179 HydrophobicContact CG2-CB 4.47Å; T140-A182 HydrophobicContact CG2-CB 4.37Å
141	R	98.8	Very high	97.9	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.008	16%	0.157	C	C	.	.			trans	-93.9	134.5	-177.3	-165.3	177.4	-175	168.3	7.7	110.3	E145 F175 D176 L178 P179 I180 H192 V212 L224	R141-E145 HydrophobicContact CG-CB 3.76Å; R141-E145 PolarHBondContact NE-O 3.1Å; R141-E145 PolarHBondContact NH2-O 2.9Å; R141-F175 WeakPolarHBondContact CD-O 3.33Å; R141-F175 PolarHBondContact NE-O 2.6Å; R141-F175 PolarHBondContact NH1-O 2.92Å; R141-D176 IonicContact CZ-OD1 3.63Å; R141-D176 IonicContact NH1-OD1 3.66Å; R141-D176 IonicContact NH2-OD1 2.78Å; R141-D176 PolarHBondContact NH2-OD1 3.41Å; R141-L178 HydrophobicContact CB-CB 3.92Å; R141-L178 HydrophobicContact CB-CD1 4.41Å; R141-L178 HydrophobicContact CG-CB 4.27Å; R141-L178 HydrophobicContact CG-CD1 4.31Å; R141-P179 WeakPolarHBondContact CB-O 3.42Å; R141-P179 PolarHBondContact N-O 2.88Å; R141-I180 HydrophobicContact CB-CD1 4.3Å; R141-H192 WeakPolarHBondContact O-CB 3.37Å; R141-V212 PolarHBondContact NH1-O 3.08Å; R141-L224 HydrophobicContact CG-CD1 4.36Å; R141-L224 WeakPolarHBondContact O-CD2 3.33Å
142	G	98.7	Very high	97.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.173	C	C	.	.			trans	-99.5	176.9	166	0	0	0	0	0	112.6	H144 E145 H192	G142-H144 VanDerWaalsContact C-N 3.26Å; G142-H144 PolarHBondContact O-N 3.17Å; G142-E145 WeakPolarHBondContact CA-OE2 3.35Å; G142-E145 PolarHBondContact N-OE2 3.4Å; G142-E145 PolarHBondContact O-N 3.3Å; G142-H192 WeakPolarHBondContact CA-CD2 3.4Å; G142-H192 VanDerWaalsContact CA-CG 3.46Å
143	N	98.5	Very high	98	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.011	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-27.3	178.1	62.4	-54.7	0	0	0	111.9	D111 E145 T146 M149 H192 L224 W225 H267	D111-N143 PolarHBondContact OD1-N 3.04Å; D111-N143 PolarHBondContact OD1-OD1 2.89Å; D111-N143 PolarHBondContact OD2-OD1 2.88Å; N143-E145 VanDerWaalsContact C-N 3.27Å; N143-E145 PolarHBondContact O-N 3.25Å; N143-T146 WeakPolarHBondContact O-CG2 3.44Å; N143-T146 PolarHBondContact O-OG1 3.33Å; N143-M149 WeakPolarHBondContact O-CG 3.47Å; N143-H192 PolarHBondContact N-CD2 3.41Å; N143-H192 VanDerWaalsContact N-CD2 3.35Å; N143-H192 PolarHBondContact OD1-CD2 3.01Å; N143-H192 PolarHBondContact OD1-NE2 2.91Å; N143-L224 HydrophobicContact CB-CB 4.14Å; N143-W225 HydrophobicContact CB-CD2 3.8Å; N143-W225 HydrophobicContact CB-CE3 4.39Å; N143-W225 HydrophobicContact CB-CG 4.23Å; N143-W225 HydrophobicContact CB-CH2 4.35Å; N143-W225 HydrophobicContact CB-CZ2 3.69Å; N143-W225 WeakPolarHBondContact ND2-CH2 3.33Å; N143-W225 VanDerWaalsContact ND2-CZ2 3.34Å; N143-W225 WeakPolarHBondContact ND2-CZ2 3.28Å; N143-W225 WeakPolarHBondContact ND2-CZ3 3.44Å; N143-H267 PolarHBondContact OD1-CE1 2.84Å; N143-H267 PolarHBondContact OD1-ND1 2.9Å
144	H	98.6	Very high	98.1	Very high	2 Å²	2	36 Å²	36	1%	0.009	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-12.9	174.4	-77.9	-94.5	0	0	0	114	H85 D111 V113 D114 G142 T146 M149 N150 Y153	H85-H144 AromaticContact CE1-CD2 3.49Å; H85-H144 PolarHBondContact CE1-CD2 3.14Å; H85-H144 VanDerWaalsContact CE1-CD2 3.49Å; H85-H144 AromaticContact CE1-CE1 3.98Å; H85-H144 AromaticContact CE1-CG 3.81Å; H85-H144 AromaticContact CE1-NE2 3.62Å; D111-H144 HydrophobicContact CB-CB 4.44Å; D111-H144 VanDerWaalsContact OD1-CB 3.29Å; D111-H144 WeakPolarHBondContact OD1-CB 3.41Å; D111-H144 IonicContact OD1-CD2 3.85Å; D111-H144 PolarHBondContact OD1-CD2 3.32Å; D111-H144 IonicContact OD1-CG 2.83Å; D111-H144 PolarHBondContact OD1-N 3.17Å; D111-H144 IonicContact OD2-CD2 3.87Å; D111-H144 PolarHBondContact OD2-CD2 3.29Å; D111-H144 VanDerWaalsContact OD2-CD2 3.3Å; V113-H144 HydrophobicContact CG2-CB 4.46Å; D114-H144 HydrophobicContact CB-CB 4.4Å; D114-H144 WeakPolarHBondContact CB-ND1 3.42Å; D114-H144 IonicContact OD2-CE1 3.84Å; D114-H144 IonicContact OD2-CG 2.69Å; D114-H144 IonicContact OD2-ND1 2.76Å; D114-H144 PolarHBondContact OD2-ND1 2.79Å; G142-H144 VanDerWaalsContact C-N 3.26Å; G142-H144 PolarHBondContact O-N 3.17Å; H144-T146 PolarHBondContact O-N 2.94Å; H144-M149 VanDerWaalsContact CE1-CE 3.44Å; H144-M149 WeakPolarHBondContact CE1-CE 3.32Å; H144-M149 VanDerWaalsContact NE2-CE 3.34Å; H144-M149 WeakPolarHBondContact NE2-CE 3.28Å; H144-N150 PolarHBondContact O-ND2 3.4Å; H144-Y153 AromaticContact CE1-CD2 3.63Å; H144-Y153 AromaticContact CE1-CG 3.66Å
145	E	98.7	Very high	98.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	-82.6	47.9	168.4	-73	68	-129.5	0	0	111.1	D111 Y112 V113 R141 G142 N143 F175 L178	D111-E145 PolarHBondContact N-OE2 3.1Å; Y112-E145 VanDerWaalsContact CD2-CD 3.45Å; Y112-E145 HydrophobicContact CD2-CG 3.75Å; Y112-E145 WeakPolarHBondContact CD2-OE1 3.48Å; Y112-E145 HydrophobicContact CE2-CG 4.17Å; Y112-E145 PolarHBondContact N-OE1 2.83Å; V113-E145 PolarHBondContact N-OE1 2.65Å; R141-E145 HydrophobicContact CG-CB 3.76Å; R141-E145 PolarHBondContact NE-O 3.1Å; R141-E145 PolarHBondContact NH2-O 2.9Å; G142-E145 WeakPolarHBondContact CA-OE2 3.35Å; G142-E145 PolarHBondContact N-OE2 3.4Å; G142-E145 PolarHBondContact O-N 3.3Å; N143-E145 VanDerWaalsContact C-N 3.27Å; N143-E145 PolarHBondContact O-N 3.25Å; E145-F175 HydrophobicContact CB-CB 4.09Å; E145-F175 HydrophobicContact CB-CD1 3.7Å; E145-F175 HydrophobicContact CB-CD2 4.16Å; E145-F175 HydrophobicContact CB-CE1 4.08Å; E145-F175 HydrophobicContact CB-CG 3.75Å; E145-F175 HydrophobicContact CB-CZ 4.48Å; E145-F175 HydrophobicContact CG-CD1 3.55Å; E145-F175 HydrophobicContact CG-CE1 3.48Å; E145-F175 VanDerWaalsContact CG-CE1 3.48Å; E145-F175 HydrophobicContact CG-CE2 4.5Å; E145-F175 HydrophobicContact CG-CG 4.11Å; E145-F175 HydrophobicContact CG-CZ 4Å; E145-F175 WeakPolarHBondContact O-CB 3.19Å; E145-L178 HydrophobicContact CB-CD1 4.34Å; E145-L178 HydrophobicContact CG-CD1 4.11Å
146	T	98.5	Very high	98.3	Very high	17 Å²	17	31.4 Å²	31.4	10%	0.104	16%	0.157	C	C	.	.	S	Bend	trans	-139.5	147	176.8	68.4	0	0	0	0	111.9	N143 H144 Y148 M149 N150 I214	N143-T146 WeakPolarHBondContact O-CG2 3.44Å; N143-T146 PolarHBondContact O-OG1 3.33Å; H144-T146 PolarHBondContact O-N 2.94Å; T146-Y148 PolarHBondContact O-N 2.89Å; T146-Y148 VanDerWaalsContact O-N 3.17Å; T146-M149 PolarHBondContact O-N 2.68Å; T146-M149 VanDerWaalsContact OG1-CG 3.32Å; T146-M149 WeakPolarHBondContact OG1-CG 3.43Å; T146-N150 VanDerWaalsContact O-CG 3.28Å; T146-N150 PolarHBondContact O-N 2.99Å; T146-N150 PolarHBondContact O-OD1 3.03Å; T146-I214 HydrophobicContact CG2-CB 4.12Å; T146-I214 HydrophobicContact CG2-CG1 3.97Å
147	A	98.2	Very high	98.3	Very high	35 Å²	35	34.8 Å²	34.8	29%	0.289	17%	0.171	S	C	.	.	H	α-helix	trans	-62	-29.7	-177.3	0	0	0	0	0	113.3	K151 W168 Q172	A147-K151 WeakPolarHBondContact O-CD 3.44Å; A147-K151 VanDerWaalsContact O-CG 3.22Å; A147-K151 WeakPolarHBondContact O-CG 3.43Å; A147-K151 PolarHBondContact O-N 3.44Å; A147-W168 HydrophobicContact CB-CH2 4Å; A147-W168 HydrophobicContact CB-CZ2 3.91Å; A147-Q172 HydrophobicContact CB-CG 4.24Å
148	Y	96.9	Very high	98.2	Very high	147 Å²	147	36.1 Å²	36.1	58%	0.576	18%	0.178	S	C	*	.	H	α-helix	trans	-68	-46.2	177.8	174.3	-104.9	0	0	0	111.6	T146 T152	T146-Y148 PolarHBondContact O-N 2.89Å; T146-Y148 VanDerWaalsContact O-N 3.17Å; Y148-T152 PolarHBondContact O-OG1 2.76Å; Y148-T152 VanDerWaalsContact O-OG1 3.06Å
149	M	98	Very high	98.2	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.015	17%	0.173	C	C	.	.	H	α-helix	trans	-68.2	-45.1	178.8	-64.9	-57.7	-77.1	0	0	111.1	N143 H144 T146 K151 T152 Y153 W225	N143-M149 WeakPolarHBondContact O-CG 3.47Å; H144-M149 VanDerWaalsContact CE1-CE 3.44Å; H144-M149 WeakPolarHBondContact CE1-CE 3.32Å; H144-M149 VanDerWaalsContact NE2-CE 3.34Å; H144-M149 WeakPolarHBondContact NE2-CE 3.28Å; T146-M149 PolarHBondContact O-N 2.68Å; T146-M149 VanDerWaalsContact OG1-CG 3.32Å; T146-M149 WeakPolarHBondContact OG1-CG 3.43Å; M149-K151 VanDerWaalsContact C-N 3.26Å; M149-K151 PolarHBondContact O-N 3.05Å; M149-T152 WeakPolarHBondContact O-CA 3.25Å; M149-T152 PolarHBondContact O-N 3.23Å; M149-Y153 HydrophobicContact CB-CD2 4.32Å; M149-Y153 HydrophobicContact CE-CD2 3.53Å; M149-Y153 HydrophobicContact CE-CE2 3.14Å; M149-Y153 WeakPolarHBondContact O-CD2 3.41Å; M149-Y153 PolarHBondContact O-N 2.91Å; M149-Y153 HydrophobicContact SD-CD2 4.09Å; M149-Y153 HydrophobicContact SD-CE2 3.68Å; M149-W225 HydrophobicContact CE-CH2 3.47Å; M149-W225 VanDerWaalsContact CE-CH2 3.47Å; M149-W225 HydrophobicContact CE-CZ2 3.99Å; M149-W225 HydrophobicContact CE-CZ3 4.43Å; M149-W225 HydrophobicContact CG-CH2 4.47Å; M149-W225 HydrophobicContact CG-CZ2 4.07Å; M149-W225 HydrophobicContact SD-CH2 3.51Å; M149-W225 VanDerWaalsContact SD-CH2 3.51Å; M149-W225 HydrophobicContact SD-CZ2 3.58Å; M149-W225 VanDerWaalsContact SD-CZ2 3.58Å
150	N	98.6	Very high	98.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.1	-32.5	-178.8	-62.2	160.4	0	0	0	114.4	V113 D114 H144 T146 T152 G154 F155 M156 W168 Q172 F175	V113-N150 WeakPolarHBondContact CG2-ND2 3.43Å; D114-N150 WeakPolarHBondContact OD1-CA 3.23Å; D114-N150 WeakPolarHBondContact OD2-CA 3.41Å; D114-N150 PolarHBondContact OD2-N 3.29Å; D114-N150 PolarHBondContact OD2-ND2 2.89Å; H144-N150 PolarHBondContact O-ND2 3.4Å; T146-N150 VanDerWaalsContact O-CG 3.28Å; T146-N150 PolarHBondContact O-N 2.99Å; T146-N150 PolarHBondContact O-OD1 3.03Å; N150-T152 PolarHBondContact O-N 3.39Å; N150-G154 PolarHBondContact O-N 3.17Å; N150-F155 HydrophobicContact CB-CB 4.04Å; N150-F155 HydrophobicContact CB-CD1 4.27Å; N150-F155 PolarHBondContact O-N 2.8Å; N150-M156 HydrophobicContact CB-CB 4.42Å; N150-M156 WeakPolarHBondContact O-CB 3.48Å; N150-M156 PolarHBondContact O-N 2.83Å; N150-M156 VanDerWaalsContact O-N 3.08Å; N150-W168 HydrophobicContact CB-CZ2 4.37Å; N150-Q172 PolarHBondContact OD1-NE2 2.72Å; N150-Q172 PolarHBondContact OD1-OE1 2.97Å; N150-F175 WeakPolarHBondContact OD1-CE2 3.06Å
151	K	97.9	Very high	98.1	Very high	134 Å²	134	43 Å²	43	58%	0.583	22%	0.215	S	C	*	.	H	α-helix	trans	-64.8	-31.8	173.7	-79.4	172.2	-174.6	-174.4	0	112.4	A147 M149 M156 W168	A147-K151 WeakPolarHBondContact O-CD 3.44Å; A147-K151 VanDerWaalsContact O-CG 3.22Å; A147-K151 WeakPolarHBondContact O-CG 3.43Å; A147-K151 PolarHBondContact O-N 3.44Å; M149-K151 VanDerWaalsContact C-N 3.26Å; M149-K151 PolarHBondContact O-N 3.05Å; K151-M156 HydrophobicContact CB-SD 4.44Å; K151-M156 HydrophobicContact CG-SD 3.51Å; K151-M156 VanDerWaalsContact CG-SD 3.51Å; K151-W168 HydrophobicContact CG-CH2 4.35Å; K151-W168 HydrophobicContact CG-CZ2 4.27Å
152	T	97.6	Very high	97.9	Very high	86 Å²	86	46 Å²	46	53%	0.528	23%	0.227	S	C	.	.	H	α-helix	trans	-94.4	-37.2	-171.6	-52	0	0	0	0	111.8	Y148 M149 N150	Y148-T152 PolarHBondContact O-OG1 2.76Å; Y148-T152 VanDerWaalsContact O-OG1 3.06Å; M149-T152 WeakPolarHBondContact O-CA 3.25Å; M149-T152 PolarHBondContact O-N 3.23Å; N150-T152 PolarHBondContact O-N 3.39Å
153	Y	97.6	Very high	97.8	Very high	92 Å²	92	47.4 Å²	47.4	36%	0.361	23%	0.233	S	C	.	.	H	α-helix	trans	-111.9	6.3	-166.4	-65.7	-81	0	0	0	115.7	R115 H144 M149	R115-Y153 PolarHBondContact N-O 2.8Å; H144-Y153 AromaticContact CE1-CD2 3.63Å; H144-Y153 AromaticContact CE1-CG 3.66Å; M149-Y153 HydrophobicContact CB-CD2 4.32Å; M149-Y153 HydrophobicContact CE-CD2 3.53Å; M149-Y153 HydrophobicContact CE-CE2 3.14Å; M149-Y153 WeakPolarHBondContact O-CD2 3.41Å; M149-Y153 PolarHBondContact O-N 2.91Å; M149-Y153 HydrophobicContact SD-CD2 4.09Å; M149-Y153 HydrophobicContact SD-CE2 3.68Å
154	G	96.9	Very high	97.8	Very high	33 Å²	33	48.5 Å²	48.5	34%	0.34	24%	0.241	S	C	.	.	S	Bend	trans	117.9	-20.8	159.1	0	0	0	0	0	116.1	D114 N150 M156 K157 E158	D114-G154 PolarHBondContact OD1-N 2.85Å; N150-G154 PolarHBondContact O-N 3.17Å; G154-M156 VanDerWaalsContact C-N 3.31Å; G154-M156 PolarHBondContact O-N 3.28Å; G154-K157 WeakPolarHBondContact O-CB 3.31Å; G154-K157 PolarHBondContact O-N 3.44Å; G154-E158 PolarHBondContact O-N 3.38Å
155	F	98.6	Very high	97.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64.1	-35.5	-174.8	-174.1	-118.6	0	0	0	112.8	V113 D114 V120 N150 K157 E158 C159 F171 F175	V113-F155 HydrophobicContact CB-CB 4.06Å; V113-F155 HydrophobicContact CB-CD1 4.06Å; V113-F155 HydrophobicContact CB-CD2 3.6Å; V113-F155 HydrophobicContact CB-CE1 4.4Å; V113-F155 HydrophobicContact CB-CE2 3.97Å; V113-F155 HydrophobicContact CB-CG 3.64Å; V113-F155 HydrophobicContact CB-CZ 4.36Å; V113-F155 HydrophobicContact CG1-CD1 4.19Å; V113-F155 HydrophobicContact CG1-CD2 3.74Å; V113-F155 HydrophobicContact CG1-CE1 4.02Å; V113-F155 HydrophobicContact CG1-CE2 3.54Å; V113-F155 HydrophobicContact CG1-CG 4.06Å; V113-F155 HydrophobicContact CG1-CZ 3.69Å; V113-F155 HydrophobicContact CG2-CB 4.11Å; V113-F155 HydrophobicContact CG2-CD1 3.94Å; V113-F155 HydrophobicContact CG2-CD2 4.35Å; V113-F155 HydrophobicContact CG2-CE1 4.44Å; V113-F155 HydrophobicContact CG2-CG 3.88Å; D114-F155 WeakPolarHBondContact OD1-CB 3.37Å; D114-F155 PolarHBondContact OD1-N 3.3Å; V120-F155 HydrophobicContact CB-CE2 4.44Å; V120-F155 HydrophobicContact CG2-CD2 4.49Å; V120-F155 HydrophobicContact CG2-CE2 3.66Å; V120-F155 HydrophobicContact CG2-CZ 4.26Å; N150-F155 HydrophobicContact CB-CB 4.04Å; N150-F155 HydrophobicContact CB-CD1 4.27Å; N150-F155 PolarHBondContact O-N 2.8Å; F155-K157 VanDerWaalsContact C-N 3.31Å; F155-K157 PolarHBondContact O-N 3.03Å; F155-E158 WeakPolarHBondContact O-CB 3.48Å; F155-E158 PolarHBondContact O-N 2.99Å; F155-C159 PolarHBondContact O-N 3.28Å; F155-C159 PolarHBondContact O-SG 3.19Å; F155-C159 VanDerWaalsContact O-SG 3.37Å; F155-F171 HydrophobicContact CE1-CB 4.08Å; F155-F171 HydrophobicContact CE1-CD1 4.26Å; F155-F171 HydrophobicContact CE1-CD2 4.36Å; F155-F171 HydrophobicContact CE1-CG 4Å; F155-F171 AromaticContact CZ-CD1 3.96Å; F155-F171 HydrophobicContact CZ-CD1 3.96Å; F155-F171 HydrophobicContact CZ-CD2 4.16Å; F155-F171 HydrophobicContact CZ-CE1 4.13Å; F155-F171 HydrophobicContact CZ-CE2 4.32Å; F155-F171 AromaticContact CZ-CG 3.99Å; F155-F171 HydrophobicContact CZ-CG 3.99Å; F155-F171 HydrophobicContact CZ-CZ 4.31Å; F155-F175 HydrophobicContact CD1-CE2 4.23Å; F155-F175 HydrophobicContact CD1-CZ 4.4Å; F155-F175 AromaticContact CE1-CE2 3.86Å; F155-F175 HydrophobicContact CE1-CE2 3.86Å; F155-F175 AromaticContact CE1-CZ 3.79Å; F155-F175 HydrophobicContact CE1-CZ 3.79Å; F155-F175 HydrophobicContact CZ-CZ 4.42Å
156	M	98.6	Very high	97.8	Very high	22 Å²	22	59.6 Å²	59.6	11%	0.108	29%	0.287	C	S	.	.	H	α-helix	trans	-60.8	-43.4	173.5	179.2	179.1	173.3	0	0	111.8	N150 K151 G154 C159 I160 R165 W168	N150-M156 HydrophobicContact CB-CB 4.42Å; N150-M156 WeakPolarHBondContact O-CB 3.48Å; N150-M156 PolarHBondContact O-N 2.83Å; N150-M156 VanDerWaalsContact O-N 3.08Å; K151-M156 HydrophobicContact CB-SD 4.44Å; K151-M156 HydrophobicContact CG-SD 3.51Å; K151-M156 VanDerWaalsContact CG-SD 3.51Å; G154-M156 VanDerWaalsContact C-N 3.31Å; G154-M156 PolarHBondContact O-N 3.28Å; M156-C159 PolarHBondContact O-N 2.88Å; M156-I160 HydrophobicContact CE-CD1 3.75Å; M156-I160 HydrophobicContact CG-CD1 4.01Å; M156-I160 WeakPolarHBondContact O-CG1 3.44Å; M156-I160 PolarHBondContact O-N 2.78Å; M156-I160 VanDerWaalsContact O-N 3.1Å; M156-R165 HydrophobicContact CE-CG 4.49Å; M156-R165 VanDerWaalsContact CE-CZ 3.42Å; M156-W168 HydrophobicContact CB-CD2 4.19Å; M156-W168 HydrophobicContact CB-CG 4.25Å; M156-W168 HydrophobicContact CB-CZ2 4.32Å; M156-W168 HydrophobicContact CE-CE3 4.3Å; M156-W168 HydrophobicContact CE-CZ3 4.3Å; M156-W168 HydrophobicContact CG-CD2 3.74Å; M156-W168 HydrophobicContact CG-CE3 4.2Å; M156-W168 HydrophobicContact CG-CG 3.99Å; M156-W168 HydrophobicContact CG-CZ2 4.28Å; M156-W168 HydrophobicContact SD-CD2 4.29Å; M156-W168 HydrophobicContact SD-CE3 4.28Å; M156-W168 HydrophobicContact SD-CH2 4.11Å; M156-W168 HydrophobicContact SD-CZ2 4.1Å; M156-W168 HydrophobicContact SD-CZ3 4.18Å
157	K	98.4	Very high	97.8	Very high	129 Å²	129	58.8 Å²	58.8	56%	0.561	28%	0.282	S	S	*	.	H	α-helix	trans	-64.1	-44.8	177.5	-174	-171.8	-177.5	-58.7	0	110.2	G154 F155 C159 I160 D161	G154-K157 WeakPolarHBondContact O-CB 3.31Å; G154-K157 PolarHBondContact O-N 3.44Å; F155-K157 VanDerWaalsContact C-N 3.31Å; F155-K157 PolarHBondContact O-N 3.03Å; K157-C159 PolarHBondContact O-N 3.32Å; K157-I160 PolarHBondContact O-N 3.3Å; K157-I160 VanDerWaalsContact O-N 3.14Å; K157-D161 IonicContact NZ-OD1 3.54Å; K157-D161 IonicContact NZ-OD2 2.57Å; K157-D161 PolarHBondContact NZ-OD2 2.76Å; K157-D161 VanDerWaalsContact O-CG 3.26Å; K157-D161 PolarHBondContact O-N 2.88Å
158	E	97.6	Very high	97.8	Very high	28 Å²	28	57.4 Å²	57.4	13%	0.131	27%	0.269	C	S	.	.	H	α-helix	trans	-56	-47.4	177.3	-168.1	-171	150.2	0	0	112	G119 V120 G154 F155 I160 D161 R162	G119-E158 PolarHBondContact N-OE1 2.92Å; G119-E158 PolarHBondContact N-OE2 2.82Å; V120-E158 WeakPolarHBondContact CB-OE1 3.45Å; V120-E158 HydrophobicContact CG2-CG 4.15Å; V120-E158 WeakPolarHBondContact CG2-OE1 3.26Å; V120-E158 PolarHBondContact N-OE1 2.75Å; G154-E158 PolarHBondContact O-N 3.38Å; F155-E158 WeakPolarHBondContact O-CB 3.48Å; F155-E158 PolarHBondContact O-N 2.99Å; E158-I160 PolarHBondContact O-N 2.84Å; E158-D161 PolarHBondContact O-N 3.33Å; E158-R162 WeakPolarHBondContact O-CB 3.44Å; E158-R162 PolarHBondContact O-N 2.87Å; E158-R162 VanDerWaalsContact O-N 3.09Å
159	C	98.4	Very high	97.9	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.1	-38.7	176.1	-68.5	0	0	0	0	113.1	F155 M156 K157 F163 S164 W168	F155-C159 PolarHBondContact O-N 3.28Å; F155-C159 PolarHBondContact O-SG 3.19Å; F155-C159 VanDerWaalsContact O-SG 3.37Å; M156-C159 PolarHBondContact O-N 2.88Å; K157-C159 PolarHBondContact O-N 3.32Å; C159-F163 CarbonylContact O-C 3.57Å; C159-F163 WeakPolarHBondContact O-CA 3.34Å; C159-F163 WeakPolarHBondContact O-CB 3.32Å; C159-F163 PolarHBondContact O-N 2.79Å; C159-S164 PolarHBondContact O-N 2.96Å; C159-W168 HydrophobicContact CB-CB 3.63Å; C159-W168 HydrophobicContact CB-CG 4.32Å
160	I	98.2	Very high	97.9	Very high	61 Å²	61	55.5 Å²	55.5	31%	0.313	27%	0.266	S	S	.	.	H	α-helix	trans	-68.1	-45.6	178.7	-71.6	169.2	0	0	0	110.7	M156 K157 E158 R162 R165	M156-I160 HydrophobicContact CE-CD1 3.75Å; M156-I160 HydrophobicContact CG-CD1 4.01Å; M156-I160 WeakPolarHBondContact O-CG1 3.44Å; M156-I160 PolarHBondContact O-N 2.78Å; M156-I160 VanDerWaalsContact O-N 3.1Å; K157-I160 PolarHBondContact O-N 3.3Å; K157-I160 VanDerWaalsContact O-N 3.14Å; E158-I160 PolarHBondContact O-N 2.84Å; I160-R162 VanDerWaalsContact C-N 3.27Å; I160-R162 PolarHBondContact O-N 2.91Å; I160-R165 HydrophobicContact CD1-CB 4.37Å; I160-R165 HydrophobicContact CG1-CB 4.18Å
161	D	96.3	Very high	97.9	Very high	110 Å²	110	55.5 Å²	55.5	59%	0.588	27%	0.266	S	S	*	.	H	α-helix	trans	-63.9	-35	-179.1	-68.4	-16.6	0	0	0	111.7	K157 E158	K157-D161 IonicContact NZ-OD1 3.54Å; K157-D161 IonicContact NZ-OD2 2.57Å; K157-D161 PolarHBondContact NZ-OD2 2.76Å; K157-D161 VanDerWaalsContact O-CG 3.26Å; K157-D161 PolarHBondContact O-N 2.88Å; E158-D161 PolarHBondContact O-N 3.33Å
162	R	94.9	Very high	97.9	Very high	64 Å²	64	49.7 Å²	49.7	24%	0.242	24%	0.24	C	C	.	.	H	α-helix	trans	-90.3	-33.5	-177.8	-171.8	178	-177.9	155.5	8.2	114.2	A46 V120 E121 E158 I160	A46-R162 PolarHBondContact O-NH2 2.82Å; V120-R162 VanDerWaalsContact CB-NH1 3.31Å; E121-R162 IonicContact OE1-CZ 3.48Å; E121-R162 IonicContact OE1-NH1 2.67Å; E121-R162 PolarHBondContact OE1-NH1 3.06Å; E121-R162 IonicContact OE1-NH2 3.73Å; E121-R162 PolarHBondContact OE1-NH2 2.76Å; E121-R162 IonicContact OE2-CZ 3.3Å; E121-R162 IonicContact OE2-NH1 3.6Å; E121-R162 PolarHBondContact OE2-NH1 2.82Å; E158-R162 WeakPolarHBondContact O-CB 3.44Å; E158-R162 PolarHBondContact O-N 2.87Å; E158-R162 VanDerWaalsContact O-N 3.09Å; I160-R162 VanDerWaalsContact C-N 3.27Å; I160-R162 PolarHBondContact O-N 2.91Å
163	F	97	Very high	98	Very high	31 Å²	31	50.4 Å²	50.4	14%	0.136	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.2	-91.6	-174.5	-57.9	-69.4	0	0	0	110.6	I49 V51 M54 V120 C159 I167	I49-F163 HydrophobicContact CG2-CZ 4.3Å; I49-F163 WeakPolarHBondContact O-CE1 3.44Å; V51-F163 HydrophobicContact CG2-CD1 3.99Å; M54-F163 HydrophobicContact CB-CE1 4.3Å; M54-F163 HydrophobicContact CB-CZ 4.19Å; M54-F163 HydrophobicContact CE-CE2 3.81Å; M54-F163 HydrophobicContact CE-CZ 3.75Å; M54-F163 HydrophobicContact CG-CE2 4.16Å; M54-F163 HydrophobicContact CG-CZ 4.22Å; V120-F163 HydrophobicContact CG1-CE2 3.82Å; C159-F163 CarbonylContact O-C 3.57Å; C159-F163 WeakPolarHBondContact O-CA 3.34Å; C159-F163 WeakPolarHBondContact O-CB 3.32Å; C159-F163 PolarHBondContact O-N 2.79Å; F163-I167 HydrophobicContact CB-CB 3.86Å; F163-I167 HydrophobicContact CB-CG1 3.83Å; F163-I167 HydrophobicContact CB-CG2 4Å; F163-I167 HydrophobicContact CD2-CG2 3.84Å; F163-I167 HydrophobicContact CG-CB 4.46Å; F163-I167 HydrophobicContact CG-CG1 4.41Å; F163-I167 HydrophobicContact CG-CG2 4.09Å
164	S	97.9	Very high	98.1	Very high	24 Å²	24	46 Å²	46	17%	0.168	22%	0.221	C	C	.	.			trans	-170.7	169.5	-176.5	82.5	0	0	0	0	110.9	C159 E166 I167 W168	C159-S164 PolarHBondContact O-N 2.96Å; S164-E166 VanDerWaalsContact C-N 3.25Å; S164-E166 WeakPolarHBondContact CB-OE2 3.33Å; S164-E166 PolarHBondContact O-N 2.92Å; S164-E166 PolarHBondContact OG-N 2.79Å; S164-E166 PolarHBondContact OG-OE2 2.84Å; S164-I167 PolarHBondContact O-N 2.76Å; S164-I167 PolarHBondContact OG-N 3.19Å; S164-W168 PolarHBondContact O-N 3.08Å
165	R	98.4	Very high	98.2	Very high	129 Å²	129	44.5 Å²	44.5	49%	0.487	20%	0.204	S	C	.	.	H	α-helix	trans	-64.1	-32.6	174	-176.5	178.4	-65.8	-108.1	-5.1	112.1	M156 I160 W168 H169	M156-R165 HydrophobicContact CE-CG 4.49Å; M156-R165 VanDerWaalsContact CE-CZ 3.42Å; I160-R165 HydrophobicContact CD1-CB 4.37Å; I160-R165 HydrophobicContact CG1-CB 4.18Å; R165-W168 WeakPolarHBondContact O-CB 3.3Å; R165-W168 PolarHBondContact O-N 3.45Å; R165-H169 PolarHBondContact O-CD2 3.07Å; R165-H169 PolarHBondContact O-N 3.39Å; R165-H169 VanDerWaalsContact O-N 3.07Å
166	E	98.6	Very high	98.2	Very high	107 Å²	107	45.4 Å²	45.4	50%	0.5	21%	0.209	S	C	.	.	H	α-helix	trans	-66.5	-39.3	179	-59.3	70.1	-149.7	0	0	111.2	S164 W168 H169 E170	S164-E166 VanDerWaalsContact C-N 3.25Å; S164-E166 WeakPolarHBondContact CB-OE2 3.33Å; S164-E166 PolarHBondContact O-N 2.92Å; S164-E166 PolarHBondContact OG-N 2.79Å; S164-E166 PolarHBondContact OG-OE2 2.84Å; E166-W168 VanDerWaalsContact C-N 3.35Å; E166-H169 WeakPolarHBondContact O-CB 3.3Å; E166-H169 PolarHBondContact O-N 2.83Å; E166-E170 PolarHBondContact O-N 2.82Å
167	I	98.4	Very high	98.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65.8	-39.1	174.3	-68.2	-60	0	0	0	111.4	V51 M54 R55 L58 F163 S164 H169 E170 F171	V51-I167 HydrophobicContact CG1-CD1 4Å; V51-I167 HydrophobicContact CG1-CG1 4.17Å; M54-I167 HydrophobicContact CG-CG2 3.79Å; R55-I167 HydrophobicContact CG-CD1 3.48Å; R55-I167 VanDerWaalsContact CG-CD1 3.48Å; L58-I167 HydrophobicContact CD1-CG2 4.34Å; F163-I167 HydrophobicContact CB-CB 3.86Å; F163-I167 HydrophobicContact CB-CG1 3.83Å; F163-I167 HydrophobicContact CB-CG2 4Å; F163-I167 HydrophobicContact CD2-CG2 3.84Å; F163-I167 HydrophobicContact CG-CB 4.46Å; F163-I167 HydrophobicContact CG-CG1 4.41Å; F163-I167 HydrophobicContact CG-CG2 4.09Å; S164-I167 PolarHBondContact O-N 2.76Å; S164-I167 PolarHBondContact OG-N 3.19Å; I167-H169 VanDerWaalsContact C-N 3.3Å; I167-H169 PolarHBondContact O-N 3.23Å; I167-E170 PolarHBondContact O-N 2.6Å; I167-E170 VanDerWaalsContact O-N 3.09Å; I167-F171 HydrophobicContact CG2-CD2 3.98Å; I167-F171 HydrophobicContact CG2-CE2 3.74Å; I167-F171 WeakPolarHBondContact O-CD2 3.3Å; I167-F171 PolarHBondContact O-N 3.16Å
168	W	98.7	Very high	98.2	Very high	5 Å²	5	38.3 Å²	38.3	2%	0.019	18%	0.178	C	C	.	.	H	α-helix	trans	-57.8	-42.9	172.3	174.4	69.9	0	0	0	112	A147 N150 K151 M156 C159 S164 R165 E166 E170 F171 Q172	A147-W168 HydrophobicContact CB-CH2 4Å; A147-W168 HydrophobicContact CB-CZ2 3.91Å; N150-W168 HydrophobicContact CB-CZ2 4.37Å; K151-W168 HydrophobicContact CG-CH2 4.35Å; K151-W168 HydrophobicContact CG-CZ2 4.27Å; M156-W168 HydrophobicContact CB-CD2 4.19Å; M156-W168 HydrophobicContact CB-CG 4.25Å; M156-W168 HydrophobicContact CB-CZ2 4.32Å; M156-W168 HydrophobicContact CE-CE3 4.3Å; M156-W168 HydrophobicContact CE-CZ3 4.3Å; M156-W168 HydrophobicContact CG-CD2 3.74Å; M156-W168 HydrophobicContact CG-CE3 4.2Å; M156-W168 HydrophobicContact CG-CG 3.99Å; M156-W168 HydrophobicContact CG-CZ2 4.28Å; M156-W168 HydrophobicContact SD-CD2 4.29Å; M156-W168 HydrophobicContact SD-CE3 4.28Å; M156-W168 HydrophobicContact SD-CH2 4.11Å; M156-W168 HydrophobicContact SD-CZ2 4.1Å; M156-W168 HydrophobicContact SD-CZ3 4.18Å; C159-W168 HydrophobicContact CB-CB 3.63Å; C159-W168 HydrophobicContact CB-CG 4.32Å; S164-W168 PolarHBondContact O-N 3.08Å; R165-W168 WeakPolarHBondContact O-CB 3.3Å; R165-W168 PolarHBondContact O-N 3.45Å; E166-W168 VanDerWaalsContact C-N 3.35Å; W168-E170 VanDerWaalsContact C-N 3.33Å; W168-E170 PolarHBondContact O-N 3.04Å; W168-F171 WeakPolarHBondContact O-CB 3.45Å; W168-F171 PolarHBondContact O-N 3.03Å; W168-Q172 HydrophobicContact CD2-CG 4.33Å; W168-Q172 HydrophobicContact CH2-CG 4.33Å; W168-Q172 HydrophobicContact CZ2-CG 3.98Å; W168-Q172 WeakPolarHBondContact O-CG 3.49Å; W168-Q172 PolarHBondContact O-N 2.94Å; W168-Q172 VanDerWaalsContact O-N 3.1Å
169	H	98.7	Very high	98.2	Very high	84 Å²	84	37 Å²	37	39%	0.389	17%	0.172	S	C	.	.	H	α-helix	trans	-62	-37.6	173.8	-76.4	-67.2	0	0	0	112.8	R165 E166 I167 F171 Q172 H173	R165-H169 PolarHBondContact O-CD2 3.07Å; R165-H169 PolarHBondContact O-N 3.39Å; R165-H169 VanDerWaalsContact O-N 3.07Å; E166-H169 WeakPolarHBondContact O-CB 3.3Å; E166-H169 PolarHBondContact O-N 2.83Å; I167-H169 VanDerWaalsContact C-N 3.3Å; I167-H169 PolarHBondContact O-N 3.23Å; H169-F171 VanDerWaalsContact C-N 3.34Å; H169-Q172 WeakPolarHBondContact O-CB 3.39Å; H169-Q172 PolarHBondContact O-N 3.19Å; H169-Q172 VanDerWaalsContact O-N 3.15Å; H169-H173 PolarHBondContact O-N 3.3Å; H169-H173 VanDerWaalsContact O-N 3.12Å
170	E	98.7	Very high	98.3	Very high	27 Å²	27	37 Å²	37	13%	0.126	17%	0.172	C	C	.	.	H	α-helix	trans	-65	-35.6	174.2	-68.8	-171.1	-121.6	0	0	112.2	R55 L58 R59 E166 I167 W168 Q172 H173 V174	R55-E170 WeakPolarHBondContact CD-OE1 3.42Å; R55-E170 WeakPolarHBondContact CG-OE1 3.16Å; R55-E170 IonicContact CZ-OE1 3.78Å; R55-E170 IonicContact NE-OE1 3.22Å; R55-E170 PolarHBondContact NE-OE1 3.14Å; L58-E170 HydrophobicContact CB-CB 4.48Å; L58-E170 HydrophobicContact CD1-CB 3.68Å; R59-E170 IonicContact CZ-OE2 3.16Å; R59-E170 IonicContact NE-OE2 2.69Å; R59-E170 PolarHBondContact NE-OE2 3.34Å; R59-E170 IonicContact NH2-OE2 2.77Å; E166-E170 PolarHBondContact O-N 2.82Å; I167-E170 PolarHBondContact O-N 2.6Å; I167-E170 VanDerWaalsContact O-N 3.09Å; W168-E170 VanDerWaalsContact C-N 3.33Å; W168-E170 PolarHBondContact O-N 3.04Å; E170-Q172 VanDerWaalsContact C-N 3.35Å; E170-H173 PolarHBondContact O-N 3.44Å; E170-V174 PolarHBondContact O-N 2.92Å
171	F	98.8	Very high	98.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60.7	-42.4	168.9	-82.3	-76.5	0	0	0	111.9	M54 L58 V120 F123 F155 I167 W168 H169 H173 V174 F175	M54-F171 HydrophobicContact CE-CZ 4.14Å; M54-F171 HydrophobicContact CG-CE2 4.39Å; M54-F171 HydrophobicContact CG-CZ 4.48Å; M54-F171 HydrophobicContact SD-CE1 4.43Å; M54-F171 HydrophobicContact SD-CE2 4.11Å; M54-F171 HydrophobicContact SD-CZ 3.63Å; L58-F171 HydrophobicContact CD1-CD1 4.47Å; L58-F171 HydrophobicContact CD1-CD2 4.02Å; L58-F171 HydrophobicContact CD1-CE2 4.11Å; L58-F171 HydrophobicContact CD1-CG 4.21Å; L58-F171 HydrophobicContact CD1-CZ 4.37Å; L58-F171 HydrophobicContact CD2-CD1 3.5Å; L58-F171 HydrophobicContact CD2-CD2 4.49Å; L58-F171 HydrophobicContact CD2-CE1 3.58Å; L58-F171 HydrophobicContact CD2-CG 3.99Å; L58-F171 HydrophobicContact CD2-CZ 4.12Å; V120-F171 HydrophobicContact CG1-CZ 4.38Å; F123-F171 AromaticContact CD1-CD1 3.69Å; F123-F171 HydrophobicContact CD1-CD1 3.69Å; F123-F171 AromaticContact CD1-CE1 3.72Å; F123-F171 HydrophobicContact CD1-CE1 3.72Å; F123-F171 HydrophobicContact CE1-CD1 4.05Å; F123-F171 HydrophobicContact CE1-CE1 4.42Å; F155-F171 HydrophobicContact CE1-CB 4.08Å; F155-F171 HydrophobicContact CE1-CD1 4.26Å; F155-F171 HydrophobicContact CE1-CD2 4.36Å; F155-F171 HydrophobicContact CE1-CG 4Å; F155-F171 AromaticContact CZ-CD1 3.96Å; F155-F171 HydrophobicContact CZ-CD1 3.96Å; F155-F171 HydrophobicContact CZ-CD2 4.16Å; F155-F171 HydrophobicContact CZ-CE1 4.13Å; F155-F171 HydrophobicContact CZ-CE2 4.32Å; F155-F171 AromaticContact CZ-CG 3.99Å; F155-F171 HydrophobicContact CZ-CG 3.99Å; F155-F171 HydrophobicContact CZ-CZ 4.31Å; I167-F171 HydrophobicContact CG2-CD2 3.98Å; I167-F171 HydrophobicContact CG2-CE2 3.74Å; I167-F171 WeakPolarHBondContact O-CD2 3.3Å; I167-F171 PolarHBondContact O-N 3.16Å; W168-F171 WeakPolarHBondContact O-CB 3.45Å; W168-F171 PolarHBondContact O-N 3.03Å; H169-F171 VanDerWaalsContact C-N 3.34Å; F171-H173 VanDerWaalsContact C-N 3.29Å; F171-H173 PolarHBondContact O-N 2.97Å; F171-V174 WeakPolarHBondContact O-CB 3.34Å; F171-V174 PolarHBondContact O-N 3.01Å; F171-V174 VanDerWaalsContact O-N 3.07Å; F171-F175 HydrophobicContact CB-CE2 4.35Å; F171-F175 WeakPolarHBondContact O-CG 3.19Å; F171-F175 PolarHBondContact O-N 2.69Å
172	Q	98.8	Very high	98.4	Very high	11 Å²	11	28.9 Å²	28.9	5%	0.051	13%	0.129	C	C	.	.	H	α-helix	trans	-60.5	-39.1	178.3	-57.7	-46.8	-66.3	0	0	112.1	A147 N150 W168 H169 E170 V174 F175 D176	A147-Q172 HydrophobicContact CB-CG 4.24Å; N150-Q172 PolarHBondContact OD1-NE2 2.72Å; N150-Q172 PolarHBondContact OD1-OE1 2.97Å; W168-Q172 HydrophobicContact CD2-CG 4.33Å; W168-Q172 HydrophobicContact CH2-CG 4.33Å; W168-Q172 HydrophobicContact CZ2-CG 3.98Å; W168-Q172 WeakPolarHBondContact O-CG 3.49Å; W168-Q172 PolarHBondContact O-N 2.94Å; W168-Q172 VanDerWaalsContact O-N 3.1Å; H169-Q172 WeakPolarHBondContact O-CB 3.39Å; H169-Q172 PolarHBondContact O-N 3.19Å; H169-Q172 VanDerWaalsContact O-N 3.15Å; E170-Q172 VanDerWaalsContact C-N 3.35Å; Q172-V174 VanDerWaalsContact C-N 3.28Å; Q172-V174 PolarHBondContact O-N 2.61Å; Q172-F175 PolarHBondContact O-N 2.79Å; Q172-D176 VanDerWaalsContact O-CG 3.31Å; Q172-D176 PolarHBondContact O-N 3.14Å
173	H	98.7	Very high	98.6	Very high	101 Å²	101	26.6 Å²	26.6	47%	0.468	12%	0.121	S	C	.	.	H	α-helix	trans	-62.6	-36	175.8	-61.4	156.3	0	0	0	112.5	L62 H169 E170 F171	L62-H173 HydrophobicContact CD1-CB 4.49Å; L62-H173 WeakPolarHBondContact CD1-O 3.23Å; L62-H173 HydrophobicContact CD2-CB 4.29Å; H169-H173 PolarHBondContact O-N 3.3Å; H169-H173 VanDerWaalsContact O-N 3.12Å; E170-H173 PolarHBondContact O-N 3.44Å; F171-H173 VanDerWaalsContact C-N 3.29Å; F171-H173 PolarHBondContact O-N 2.97Å
174	V	98.8	Very high	98.7	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.006	12%	0.115	C	C	.	.	H	α-helix	trans	-68.4	-44.8	173.7	178	0	0	0	0	110.6	L58 L62 F65 F123 L127 E170 F171 Q172 D176 V177 L178	L58-V174 HydrophobicContact CB-CG2 4.13Å; L58-V174 HydrophobicContact CD2-CG2 3.88Å; L58-V174 WeakPolarHBondContact O-CG2 3.34Å; L62-V174 HydrophobicContact CB-CG2 4.22Å; F65-V174 HydrophobicContact CD2-CG1 4.12Å; F65-V174 HydrophobicContact CE2-CG1 4.27Å; F123-V174 HydrophobicContact CE1-CG1 4.1Å; F123-V174 HydrophobicContact CZ-CG1 4.08Å; L127-V174 HydrophobicContact CD2-CG1 4.16Å; E170-V174 PolarHBondContact O-N 2.92Å; F171-V174 WeakPolarHBondContact O-CB 3.34Å; F171-V174 PolarHBondContact O-N 3.01Å; F171-V174 VanDerWaalsContact O-N 3.07Å; Q172-V174 VanDerWaalsContact C-N 3.28Å; Q172-V174 PolarHBondContact O-N 2.61Å; V174-D176 VanDerWaalsContact C-N 3.27Å; V174-D176 PolarHBondContact O-N 3.4Å; V174-V177 WeakPolarHBondContact O-CG2 3.25Å; V174-V177 PolarHBondContact O-N 2.76Å; V174-V177 VanDerWaalsContact O-N 3.12Å; V174-L178 PolarHBondContact O-N 2.71Å
175	F	98.9	Very high	98.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-58.4	-39.5	176.8	-64.6	-28.1	0	0	0	112.6	V113 F123 R141 E145 N150 F155 F171 Q172 V177 L178	V113-F175 HydrophobicContact CG1-CZ 4.13Å; V113-F175 HydrophobicContact CG2-CZ 4.18Å; F123-F175 AromaticContact CD1-CE1 3.6Å; F123-F175 HydrophobicContact CD1-CE1 3.6Å; F123-F175 HydrophobicContact CD1-CZ 4.12Å; F123-F175 HydrophobicContact CD2-CE1 4.4Å; F123-F175 AromaticContact CE1-CD1 3.77Å; F123-F175 HydrophobicContact CE1-CD1 3.77Å; F123-F175 AromaticContact CE1-CE1 3.2Å; F123-F175 HydrophobicContact CE1-CE1 3.2Å; F123-F175 HydrophobicContact CE1-CZ 4.09Å; F123-F175 HydrophobicContact CE2-CE1 4.06Å; F123-F175 HydrophobicContact CG-CE1 4.21Å; F123-F175 AromaticContact CZ-CD1 3.78Å; F123-F175 HydrophobicContact CZ-CD1 3.78Å; F123-F175 AromaticContact CZ-CE1 3.46Å; F123-F175 HydrophobicContact CZ-CE1 3.46Å; F123-F175 VanDerWaalsContact CZ-CE1 3.46Å; R141-F175 WeakPolarHBondContact CD-O 3.33Å; R141-F175 PolarHBondContact NE-O 2.6Å; R141-F175 PolarHBondContact NH1-O 2.92Å; E145-F175 HydrophobicContact CB-CB 4.09Å; E145-F175 HydrophobicContact CB-CD1 3.7Å; E145-F175 HydrophobicContact CB-CD2 4.16Å; E145-F175 HydrophobicContact CB-CE1 4.08Å; E145-F175 HydrophobicContact CB-CG 3.75Å; E145-F175 HydrophobicContact CB-CZ 4.48Å; E145-F175 HydrophobicContact CG-CD1 3.55Å; E145-F175 HydrophobicContact CG-CE1 3.48Å; E145-F175 VanDerWaalsContact CG-CE1 3.48Å; E145-F175 HydrophobicContact CG-CE2 4.5Å; E145-F175 HydrophobicContact CG-CG 4.11Å; E145-F175 HydrophobicContact CG-CZ 4Å; E145-F175 WeakPolarHBondContact O-CB 3.19Å; N150-F175 WeakPolarHBondContact OD1-CE2 3.06Å; F155-F175 HydrophobicContact CD1-CE2 4.23Å; F155-F175 HydrophobicContact CD1-CZ 4.4Å; F155-F175 AromaticContact CE1-CE2 3.86Å; F155-F175 HydrophobicContact CE1-CE2 3.86Å; F155-F175 AromaticContact CE1-CZ 3.79Å; F155-F175 HydrophobicContact CE1-CZ 3.79Å; F155-F175 HydrophobicContact CZ-CZ 4.42Å; F171-F175 HydrophobicContact CB-CE2 4.35Å; F171-F175 WeakPolarHBondContact O-CG 3.19Å; F171-F175 PolarHBondContact O-N 2.69Å; Q172-F175 PolarHBondContact O-N 2.79Å; F175-V177 PolarHBondContact O-N 2.75Å; F175-V177 VanDerWaalsContact O-N 3.13Å; F175-L178 HydrophobicContact CD1-CD1 3.9Å; F175-L178 PolarHBondContact O-N 2.86Å
176	D	98.8	Very high	98.6	Very high	20 Å²	20	26.3 Å²	26.3	11%	0.107	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-11.7	179.7	-72.2	-15.9	0	0	0	114.1	R141 Q172 V174 P211 V212	R141-D176 IonicContact CZ-OD1 3.63Å; R141-D176 IonicContact NH1-OD1 3.66Å; R141-D176 IonicContact NH2-OD1 2.78Å; R141-D176 PolarHBondContact NH2-OD1 3.41Å; Q172-D176 VanDerWaalsContact O-CG 3.31Å; Q172-D176 PolarHBondContact O-N 3.14Å; V174-D176 VanDerWaalsContact C-N 3.27Å; V174-D176 PolarHBondContact O-N 3.4Å; D176-P211 HydrophobicContact CB-CB 3.91Å; D176-P211 CarbonylContact O-C 3.44Å; D176-P211 VanDerWaalsContact O-CA 3.29Å; D176-P211 WeakPolarHBondContact O-CA 3.19Å; D176-V212 PolarHBondContact O-N 2.96Å
177	V	98.8	Very high	98.5	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.012	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.3	0.8	176.6	-60	0	0	0	0	114.1	L62 F65 N66 V174 F175 K210 P211	L62-V177 HydrophobicContact CD1-CB 4.34Å; L62-V177 HydrophobicContact CD1-CG1 3.75Å; L62-V177 HydrophobicContact CD1-CG2 3.61Å; F65-V177 HydrophobicContact CB-CB 4.13Å; F65-V177 HydrophobicContact CB-CG2 3.49Å; F65-V177 VanDerWaalsContact CB-CG2 3.49Å; F65-V177 HydrophobicContact CG-CG2 4.45Å; N66-V177 WeakPolarHBondContact OD1-CG1 3.44Å; V174-V177 WeakPolarHBondContact O-CG2 3.25Å; V174-V177 PolarHBondContact O-N 2.76Å; V174-V177 VanDerWaalsContact O-N 3.12Å; F175-V177 PolarHBondContact O-N 2.75Å; F175-V177 VanDerWaalsContact O-N 3.13Å; V177-K210 WeakPolarHBondContact O-CD 3.25Å; V177-K210 PolarHBondContact O-NZ 3.26Å; V177-P211 HydrophobicContact CG1-CB 3.83Å
178	L	98.8	Very high	98.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	-61.4	142	175.3	-74	178.2	0	0	0	110.6	F65 Y112 F123 L139 R141 E145 V174 F175	F65-L178 HydrophobicContact CD1-CD2 4.21Å; F65-L178 HydrophobicContact CD2-CD2 4.08Å; F65-L178 HydrophobicContact CE1-CD2 3.93Å; F65-L178 HydrophobicContact CE2-CD2 3.79Å; F65-L178 HydrophobicContact CG-CD2 4.29Å; F65-L178 HydrophobicContact CZ-CD2 3.72Å; Y112-L178 HydrophobicContact CE2-CD1 4.36Å; F123-L178 HydrophobicContact CE2-CD1 4.45Å; F123-L178 HydrophobicContact CZ-CD1 4.23Å; F123-L178 HydrophobicContact CZ-CD2 4.49Å; L139-L178 HydrophobicContact CB-CD2 4.41Å; R141-L178 HydrophobicContact CB-CB 3.92Å; R141-L178 HydrophobicContact CB-CD1 4.41Å; R141-L178 HydrophobicContact CG-CB 4.27Å; R141-L178 HydrophobicContact CG-CD1 4.31Å; E145-L178 HydrophobicContact CB-CD1 4.34Å; E145-L178 HydrophobicContact CG-CD1 4.11Å; V174-L178 PolarHBondContact O-N 2.71Å; F175-L178 HydrophobicContact CD1-CD1 3.9Å; F175-L178 PolarHBondContact O-N 2.86Å
179	P	98.8	Very high	98.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.115	C	C	.	.			trans	-53.4	145.4	167.2	-22.5	31.5	0	0	0	111.9	E68 T70 L72 L139 T140 R141	E68-P179 HydrophobicContact CG-CG 4.41Å; T70-P179 CarbonylContact O-C 3.49Å; T70-P179 WeakPolarHBondContact O-CA 3.38Å; L72-P179 HydrophobicContact CD1-CB 3.97Å; L72-P179 HydrophobicContact CD1-CG 4.01Å; L72-P179 HydrophobicContact CD2-CB 3.96Å; L72-P179 HydrophobicContact CD2-CG 3.64Å; L72-P179 HydrophobicContact CG-CB 3.67Å; L72-P179 HydrophobicContact CG-CG 3.87Å; L139-P179 WeakPolarHBondContact O-CD 3.28Å; L139-P179 WeakPolarHBondContact O-CG 3.42Å; T140-P179 CarbonylContact C-O 3.57Å; T140-P179 VanDerWaalsContact CA-O 3.23Å; T140-P179 WeakPolarHBondContact CA-O 3.45Å; T140-P179 HydrophobicContact CG2-CB 4.47Å; R141-P179 WeakPolarHBondContact CB-O 3.42Å; R141-P179 PolarHBondContact N-O 2.88Å
180	I	98.9	Very high	98.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	-88.6	-37.2	-178.5	-63.6	-63.4	0	0	0	111.2	T70 R141 I205 I214 L220 L223	T70-I180 HydrophobicContact CG2-CB 4.14Å; T70-I180 HydrophobicContact CG2-CG1 3.65Å; T70-I180 PolarHBondContact O-N 3.32Å; R141-I180 HydrophobicContact CB-CD1 4.3Å; I180-I205 HydrophobicContact CB-CG2 3.93Å; I180-I205 HydrophobicContact CG2-CG2 4.22Å; I180-I214 HydrophobicContact CD1-CD1 3.89Å; I180-L220 HydrophobicContact CG1-CD2 4.41Å; I180-L220 HydrophobicContact CG2-CD2 4.49Å; I180-L223 HydrophobicContact CG2-CB 4.17Å; I180-L223 HydrophobicContact CG2-CD1 3.73Å
181	A	98.9	Very high	98.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	173.1	-177.3	0	0	0	0	0	110.7	L71 L72 F189 C190 V191 I205	L71-A181 WeakPolarHBondContact CA-O 3.29Å; L71-A181 HydrophobicContact CD1-CB 3.79Å; L72-A181 PolarHBondContact N-O 2.91Å; A181-F189 HydrophobicContact CB-CE2 3.64Å; A181-F189 HydrophobicContact CB-CZ 3.94Å; A181-C190 CarbonylContact C-O 3.48Å; A181-C190 VanDerWaalsContact CA-O 3.3Å; A181-C190 WeakPolarHBondContact CA-O 3.33Å; A181-C190 WeakPolarHBondContact CB-O 3.42Å; A181-V191 HydrophobicContact CB-CB 4.25Å; A181-V191 HydrophobicContact CB-CG2 4.16Å; A181-I205 HydrophobicContact CB-CD1 4.09Å; A181-I205 HydrophobicContact CB-CG2 4.43Å
182	A	98.9	Very high	98.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	145.9	173.5	0	0	0	0	0	111.2	L72 I74 L107 T140 C190	L72-A182 HydrophobicContact CB-CB 3.75Å; L72-A182 HydrophobicContact CD1-CB 4.37Å; L72-A182 CarbonylContact O-C 3.24Å; L72-A182 WeakPolarHBondContact O-CA 3.2Å; I74-A182 HydrophobicContact CD1-CB 3.91Å; L107-A182 HydrophobicContact CD1-CB 4.17Å; L107-A182 HydrophobicContact CD2-CB 3.83Å; T140-A182 HydrophobicContact CG2-CB 4.37Å; A182-C190 HydrophobicContact CB-CB 4.21Å; A182-C190 PolarHBondContact N-O 2.98Å; A182-C190 PolarHBondContact O-N 3.48Å
183	I	98.7	Very high	98.5	Very high	16 Å²	16	17.6 Å²	17.6	8%	0.082	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	122.5	161.8	-58.5	-57.3	0	0	0	107.8	L71 L72 I74 L188 F189 L202 I260	L71-I183 HydrophobicContact CD1-CD1 4.41Å; L71-I183 HydrophobicContact CD1-CG1 4.05Å; L71-I183 HydrophobicContact CD2-CG1 4.04Å; L71-I183 HydrophobicContact CG-CG1 4.15Å; L72-I183 PolarHBondContact O-N 3.26Å; I74-I183 PolarHBondContact N-O 3.24Å; I183-L188 WeakPolarHBondContact CA-O 3.42Å; I183-F189 HydrophobicContact CD1-CB 4.32Å; I183-F189 HydrophobicContact CD1-CD2 3.7Å; I183-L202 HydrophobicContact CD1-CD1 3.55Å; I183-L202 HydrophobicContact CD1-CD2 4.36Å; I183-L202 HydrophobicContact CG1-CD1 4.17Å; I183-I260 HydrophobicContact CD1-CD1 4.03Å
184	V	98.6	Very high	98.5	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	125.9	176.7	-174.4	0	0	0	0	109.4	I74 Y76 V78 I80 L107 H186 T187 L188 C190	I74-V184 HydrophobicContact CB-CG2 4.3Å; I74-V184 CarbonylContact O-C 3.54Å; I74-V184 VanDerWaalsContact O-CA 3.22Å; I74-V184 WeakPolarHBondContact O-CA 3.48Å; Y76-V184 HydrophobicContact CD1-CG1 3.66Å; Y76-V184 HydrophobicContact CE1-CG1 3.46Å; Y76-V184 VanDerWaalsContact CE1-CG1 3.46Å; V78-V184 HydrophobicContact CG1-CG1 3.52Å; V78-V184 HydrophobicContact CG1-CG2 4.41Å; I80-V184 HydrophobicContact CD1-CG2 4.41Å; L107-V184 HydrophobicContact CD2-CG2 3.95Å; V184-H186 PolarHBondContact O-N 3.35Å; V184-H186 VanDerWaalsContact O-N 3.07Å; V184-T187 PolarHBondContact O-N 2.91Å; V184-T187 PolarHBondContact O-OG1 3.05Å; V184-L188 HydrophobicContact CB-CB 4.1Å; V184-L188 HydrophobicContact CB-CD1 4.16Å; V184-L188 HydrophobicContact CB-CG 4.43Å; V184-L188 HydrophobicContact CG1-CD1 4.35Å; V184-L188 PolarHBondContact N-O 2.81Å; V184-L188 PolarHBondContact O-N 2.91Å; V184-C190 VanDerWaalsContact CG2-SG 3.55Å
185	N	97.8	Very high	98.5	Very high	54 Å²	54	12.7 Å²	12.7	29%	0.289	7%	0.065	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	36.8	179.5	-158.3	56.5	0	0	0	112.8	I74 Y76 T187	I74-N185 PolarHBondContact O-N 2.75Å; Y76-N185 HydrophobicContact CD1-CB 3.73Å; Y76-N185 HydrophobicContact CD2-CB 3.73Å; Y76-N185 VanDerWaalsContact CD2-CG 3.47Å; Y76-N185 VanDerWaalsContact CD2-ND2 3.33Å; Y76-N185 WeakPolarHBondContact CD2-ND2 3.33Å; Y76-N185 HydrophobicContact CE1-CB 3.61Å; Y76-N185 HydrophobicContact CE2-CB 3.63Å; Y76-N185 WeakPolarHBondContact CE2-ND2 3.34Å; Y76-N185 HydrophobicContact CG-CB 3.77Å; N185-T187 WeakPolarHBondContact O-CG2 3.36Å; N185-T187 PolarHBondContact O-N 3.35Å; N185-T187 PolarHBondContact O-OG1 3.49Å
186	H	96.9	Very high	98.4	Very high	124 Å²	124	12.8 Å²	12.8	57%	0.574	7%	0.066	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.2	19.1	-175.6	-52.2	-66.6	0	0	0	115.6	D73 V184	D73-H186 IonicContact OD1-CE1 3.55Å; D73-H186 PolarHBondContact OD1-CE1 2.92Å; D73-H186 IonicContact OD1-ND1 3.41Å; D73-H186 IonicContact OD2-CE1 2.65Å; D73-H186 PolarHBondContact OD2-CE1 3.39Å; V184-H186 PolarHBondContact O-N 3.35Å; V184-H186 VanDerWaalsContact O-N 3.07Å
187	T	96	Very high	98.4	Very high	47 Å²	47	14.7 Å²	14.7	29%	0.288	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	-136.2	-21.5	-170.1	48.3	0	0	0	0	113.7	V184 N185 I260 S261	V184-T187 PolarHBondContact O-N 2.91Å; V184-T187 PolarHBondContact O-OG1 3.05Å; N185-T187 WeakPolarHBondContact O-CG2 3.36Å; N185-T187 PolarHBondContact O-N 3.35Å; N185-T187 PolarHBondContact O-OG1 3.49Å; T187-I260 WeakPolarHBondContact O-CG2 3.3Å; T187-S261 PolarHBondContact O-N 3.39Å; T187-S261 PolarHBondContact O-OG 3.35Å
188	L	98.2	Very high	98.3	Very high	4 Å²	4	20 Å²	20	2%	0.021	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	131.6	176	-47.7	176.4	0	0	0	110.1	Y76 I80 I183 V184 M262 V264 F304	Y76-L188 HydrophobicContact CE1-CD1 3.99Å; Y76-L188 WeakPolarHBondContact OH-CD1 3.45Å; I80-L188 HydrophobicContact CD1-CD1 4.45Å; I183-L188 WeakPolarHBondContact CA-O 3.42Å; V184-L188 HydrophobicContact CB-CB 4.1Å; V184-L188 HydrophobicContact CB-CD1 4.16Å; V184-L188 HydrophobicContact CB-CG 4.43Å; V184-L188 HydrophobicContact CG1-CD1 4.35Å; V184-L188 PolarHBondContact N-O 2.81Å; V184-L188 PolarHBondContact O-N 2.91Å; L188-M262 WeakPolarHBondContact CA-O 3.43Å; L188-M262 HydrophobicContact CD2-CB 3.99Å; L188-V264 HydrophobicContact CB-CG2 4.37Å; L188-V264 HydrophobicContact CD1-CG2 4.34Å; L188-F304 HydrophobicContact CD1-CB 4.31Å; L188-F304 HydrophobicContact CD1-CD1 3.41Å; L188-F304 VanDerWaalsContact CD1-CD1 3.41Å; L188-F304 HydrophobicContact CD1-CD2 4.19Å; L188-F304 HydrophobicContact CD1-CE1 3.61Å; L188-F304 HydrophobicContact CD1-CE2 4.37Å; L188-F304 HydrophobicContact CD1-CG 3.71Å; L188-F304 HydrophobicContact CD1-CZ 4.1Å; L188-F304 HydrophobicContact CD2-CE1 4.27Å
189	F	98.7	Very high	98.3	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	113.9	167.5	177.7	-113	0	0	0	109	L71 A181 I183 V191 I195 L199 L202 I205 L223 F254 I260 M262 I263 V264	L71-F189 HydrophobicContact CD1-CE2 4.49Å; A181-F189 HydrophobicContact CB-CE2 3.64Å; A181-F189 HydrophobicContact CB-CZ 3.94Å; I183-F189 HydrophobicContact CD1-CB 4.32Å; I183-F189 HydrophobicContact CD1-CD2 3.7Å; F189-V191 HydrophobicContact CD1-CG1 4.26Å; F189-V191 HydrophobicContact CE1-CB 3.92Å; F189-V191 HydrophobicContact CE1-CG1 3.71Å; F189-V191 HydrophobicContact CZ-CB 4.05Å; F189-V191 HydrophobicContact CZ-CG1 4.33Å; F189-V191 HydrophobicContact CZ-CG2 4.39Å; F189-I195 HydrophobicContact CD1-CG2 4.32Å; F189-I195 HydrophobicContact CE1-CG2 4.12Å; F189-L199 HydrophobicContact CE1-CD2 4.47Å; F189-L199 HydrophobicContact CZ-CD2 4.11Å; F189-L202 HydrophobicContact CD2-CD2 3.68Å; F189-L202 HydrophobicContact CE2-CD2 3.63Å; F189-L202 HydrophobicContact CZ-CD2 4.46Å; F189-I205 HydrophobicContact CE2-CD1 3.73Å; F189-I205 HydrophobicContact CZ-CD1 3.77Å; F189-L223 HydrophobicContact CE1-CD2 4.31Å; F189-L223 HydrophobicContact CZ-CD2 3.93Å; F189-F254 HydrophobicContact CB-CE1 4.01Å; F189-F254 HydrophobicContact CB-CZ 4.44Å; F189-F254 AromaticContact CD1-CE1 3.63Å; F189-F254 HydrophobicContact CD1-CE1 3.63Å; F189-F254 AromaticContact CD1-CZ 3.65Å; F189-F254 HydrophobicContact CD1-CZ 3.65Å; F189-F254 HydrophobicContact CD2-CZ 4.31Å; F189-F254 HydrophobicContact CE1-CE1 4.29Å; F189-F254 AromaticContact CE1-CZ 3.9Å; F189-F254 HydrophobicContact CE1-CZ 3.9Å; F189-F254 AromaticContact CG-CE1 3.86Å; F189-F254 HydrophobicContact CG-CE1 3.86Å; F189-F254 AromaticContact CG-CZ 3.87Å; F189-F254 HydrophobicContact CG-CZ 3.87Å; F189-F254 HydrophobicContact CZ-CZ 4.35Å; F189-I260 HydrophobicContact CB-CD1 4.34Å; F189-I260 HydrophobicContact CB-CG1 4.16Å; F189-I260 HydrophobicContact CB-CG2 3.83Å; F189-M262 PolarHBondContact N-O 3.1Å; F189-I263 HydrophobicContact CD1-CG1 4.39Å; F189-I263 HydrophobicContact CD1-CG2 4.24Å; F189-I263 CarbonylContact O-C 3.44Å; F189-I263 VanDerWaalsContact O-CA 3.3Å; F189-I263 WeakPolarHBondContact O-CA 3.47Å; F189-V264 PolarHBondContact O-N 2.82Å
190	C	98.9	Very high	98	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	125.4	-174.5	-58.6	0	0	0	0	110.5	L107 L109 A181 A182 V184 V264	L107-C190 HydrophobicContact CD2-CB 3.62Å; L109-C190 HydrophobicContact CD2-CB 3.88Å; A181-C190 CarbonylContact C-O 3.48Å; A181-C190 VanDerWaalsContact CA-O 3.3Å; A181-C190 WeakPolarHBondContact CA-O 3.33Å; A181-C190 WeakPolarHBondContact CB-O 3.42Å; A182-C190 HydrophobicContact CB-CB 4.21Å; A182-C190 PolarHBondContact N-O 2.98Å; A182-C190 PolarHBondContact O-N 3.48Å; V184-C190 VanDerWaalsContact CG2-SG 3.55Å; C190-V264 VanDerWaalsContact CA-O 3.25Å; C190-V264 WeakPolarHBondContact CA-O 3.41Å
191	V	98.9	Very high	97.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	158.4	-174.5	69.8	0	0	0	0	110.4	A181 F189 G194 L223 V264 R265	A181-V191 HydrophobicContact CB-CB 4.25Å; A181-V191 HydrophobicContact CB-CG2 4.16Å; F189-V191 HydrophobicContact CD1-CG1 4.26Å; F189-V191 HydrophobicContact CE1-CB 3.92Å; F189-V191 HydrophobicContact CE1-CG1 3.71Å; F189-V191 HydrophobicContact CZ-CB 4.05Å; F189-V191 HydrophobicContact CZ-CG1 4.33Å; F189-V191 HydrophobicContact CZ-CG2 4.39Å; V191-G194 WeakPolarHBondContact CG1-O 3.23Å; V191-L223 HydrophobicContact CG2-CB 4.15Å; V191-L223 HydrophobicContact CG2-CD2 4.2Å; V191-L223 VanDerWaalsContact CG2-O 3.24Å; V191-L223 WeakPolarHBondContact CG2-O 3.12Å; V191-V264 PolarHBondContact N-O 3.39Å; V191-R265 HydrophobicContact CG1-CB 4.37Å; V191-R265 WeakPolarHBondContact O-CA 3.44Å
192	H	98.9	Very high	97.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	-64.3	-63.7	176.4	-174.1	55.7	0	0	0	113.1	D83 L109 D111 R141 G142 N143 L224 S266 H267	D83-H192 IonicContact OD1-CE1 3.49Å; D83-H192 PolarHBondContact OD1-CE1 3.48Å; D83-H192 IonicContact OD1-ND1 3.93Å; D83-H192 IonicContact OD2-CE1 3.39Å; L109-H192 VanDerWaalsContact O-CB 3.29Å; L109-H192 WeakPolarHBondContact O-CB 3.41Å; D111-H192 IonicContact OD1-CD2 3.93Å; D111-H192 IonicContact OD1-CE1 3.54Å; D111-H192 PolarHBondContact OD1-CE1 3.48Å; D111-H192 IonicContact OD1-NE2 2.76Å; D111-H192 PolarHBondContact OD1-NE2 2.9Å; D111-H192 VanDerWaalsContact OD1-NE2 3.08Å; D111-H192 IonicContact OD2-CE1 3.55Å; D111-H192 PolarHBondContact OD2-CE1 3.28Å; D111-H192 IonicContact OD2-NE2 3.44Å; D111-H192 PolarHBondContact OD2-NE2 3.2Å; R141-H192 WeakPolarHBondContact O-CB 3.37Å; G142-H192 WeakPolarHBondContact CA-CD2 3.4Å; G142-H192 VanDerWaalsContact CA-CG 3.46Å; N143-H192 PolarHBondContact N-CD2 3.41Å; N143-H192 VanDerWaalsContact N-CD2 3.35Å; N143-H192 PolarHBondContact OD1-CD2 3.01Å; N143-H192 PolarHBondContact OD1-NE2 2.91Å; H192-L224 HydrophobicContact CB-CD2 4.23Å; H192-L224 PolarHBondContact CD2-O 3Å; H192-S266 PolarHBondContact ND1-OG 3.45Å; H192-S266 CarbonylContact O-C 3.17Å; H192-S266 PolarHBondContact O-N 2.87Å; H192-S266 PolarHBondContact O-OG 3.48Å; H192-H267 AromaticContact CD2-ND1 3.9Å; H192-H267 AromaticContact NE2-CG 3.84Å; H192-H267 AromaticContact NE2-ND1 3.3Å; H192-H267 PolarHBondContact NE2-ND1 3.23Å
193	G	98.6	Very high	97.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	-81.7	-92.2	-177.2	0	0	0	0	0	110.3	L223 S226 R265	G193-L223 CarbonylContact C-O 3.43Å; G193-L223 WeakPolarHBondContact CA-O 3.39Å; G193-L223 PolarHBondContact N-O 3.11Å; G193-S226 CarbonylContact C-O 3.48Å; G193-S226 VanDerWaalsContact C-O 3.24Å; G193-R265 VanDerWaalsContact C-NH2 3.3Å; G193-R265 WeakPolarHBondContact O-CB 3.38Å; G193-R265 PolarHBondContact O-NE 2.99Å; G193-R265 PolarHBondContact O-NH2 2.83Å
194	G	98.4	Very high	97.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.174	C	C	.	.			trans	-171	-136.3	-175	0	0	0	0	0	111.9	V191 L223 S226	V191-G194 WeakPolarHBondContact CG1-O 3.23Å; G194-L223 PolarHBondContact N-O 3.08Å; G194-L223 VanDerWaalsContact N-O 3.15Å; G194-L223 WeakPolarHBondContact O-CD2 3.38Å; G194-S226 VanDerWaalsContact C-OG 3.31Å; G194-S226 VanDerWaalsContact CA-OG 3.25Å; G194-S226 WeakPolarHBondContact CA-OG 3.36Å; G194-S226 PolarHBondContact N-OG 3.44Å
195	I	98.5	Very high	97.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.174	C	C	.	.			trans	-109.8	159.2	-178.8	55.8	164.1	0	0	0	110.9	F189 S226 W235 Y246 A250 F254 I263	F189-I195 HydrophobicContact CD1-CG2 4.32Å; F189-I195 HydrophobicContact CE1-CG2 4.12Å; I195-S226 PolarHBondContact N-OG 3.49Å; I195-S226 WeakPolarHBondContact O-CB 3.3Å; I195-S226 PolarHBondContact O-OG 2.89Å; I195-W235 HydrophobicContact CB-CH2 4.25Å; I195-W235 HydrophobicContact CD1-CH2 3.68Å; I195-W235 HydrophobicContact CD1-CZ2 4.17Å; I195-W235 HydrophobicContact CG1-CH2 3.65Å; I195-W235 HydrophobicContact CG1-CZ3 4.21Å; I195-W235 WeakPolarHBondContact O-CZ3 3.23Å; I195-Y246 HydrophobicContact CD1-CD2 3.81Å; I195-Y246 HydrophobicContact CD1-CE2 4.16Å; I195-Y246 HydrophobicContact CD1-CG 4.06Å; I195-Y246 HydrophobicContact CG1-CD1 3.73Å; I195-Y246 HydrophobicContact CG1-CD2 3.7Å; I195-Y246 HydrophobicContact CG1-CE1 3.84Å; I195-Y246 HydrophobicContact CG1-CE2 3.8Å; I195-Y246 HydrophobicContact CG1-CG 3.67Å; I195-A250 HydrophobicContact CD1-CB 4.5Å; I195-F254 HydrophobicContact CB-CD2 4.29Å; I195-F254 HydrophobicContact CB-CG 4.42Å; I195-F254 HydrophobicContact CD1-CB 3.81Å; I195-F254 HydrophobicContact CD1-CG 4.21Å; I195-F254 HydrophobicContact CG2-CD1 3.78Å; I195-F254 HydrophobicContact CG2-CD2 3.85Å; I195-F254 HydrophobicContact CG2-CE1 3.84Å; I195-F254 HydrophobicContact CG2-CE2 3.94Å; I195-F254 HydrophobicContact CG2-CG 3.77Å; I195-F254 HydrophobicContact CG2-CZ 3.92Å; I195-I263 HydrophobicContact CD1-CD1 4.35Å; I195-I263 HydrophobicContact CG2-CD1 3.74Å; I195-I263 HydrophobicContact CG2-CG1 4.37Å
196	S	98.5	Very high	97.6	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.007	19%	0.187	C	C	.	.			trans	-116.4	146.1	177.1	-178.3	0	0	0	0	110.2	Q198 L199 D222	S196-Q198 PolarHBondContact O-N 3.17Å; S196-Q198 VanDerWaalsContact O-N 3.16Å; S196-Q198 PolarHBondContact OG-N 3.44Å; S196-Q198 VanDerWaalsContact OG-N 3.16Å; S196-L199 PolarHBondContact O-N 3.37Å; S196-D222 WeakPolarHBondContact CB-OD2 3.15Å; S196-D222 PolarHBondContact OG-OD2 2.89Å
197	P	97.5	Very high	97.6	Very high	61 Å²	61	34.8 Å²	34.8	40%	0.396	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-22.3	168.8	26.6	-34.2	0	0	0	111.7	W235 C244	P197-W235 HydrophobicContact CB-CD2 3.95Å; P197-W235 HydrophobicContact CB-CE3 4.31Å; P197-W235 HydrophobicContact CB-CG 4.39Å; P197-W235 HydrophobicContact CB-CH2 4.4Å; P197-W235 HydrophobicContact CB-CZ2 4.06Å; P197-W235 VanDerWaalsContact CD-CZ3 3.43Å; P197-W235 HydrophobicContact CG-CD2 4.35Å; P197-W235 HydrophobicContact CG-CE3 4.27Å; P197-W235 HydrophobicContact CG-CZ3 4.46Å; P197-C244 VanDerWaalsContact CD-SG 3.56Å
198	Q	97.3	Very high	97.7	Very high	112 Å²	112	33.4 Å²	33.4	52%	0.523	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-10.9	177.8	-59.8	175.6	8.6	0	0	113.2	S196 T200 I204 V219	S196-Q198 PolarHBondContact O-N 3.17Å; S196-Q198 VanDerWaalsContact O-N 3.16Å; S196-Q198 PolarHBondContact OG-N 3.44Å; S196-Q198 VanDerWaalsContact OG-N 3.16Å; Q198-T200 VanDerWaalsContact C-N 3.3Å; Q198-T200 PolarHBondContact O-N 2.69Å; Q198-I204 WeakPolarHBondContact O-CD1 3.48Å; Q198-V219 HydrophobicContact CB-CB 4.1Å; Q198-V219 VanDerWaalsContact OE1-N 3.17Å
199	L	97.6	Very high	97.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.212	C	C	.	.			trans	-83.6	75.4	178.9	-175	64	0	0	0	110.2	F189 S196 D201 I204 I205 V219 L223 F254 R257	F189-L199 HydrophobicContact CE1-CD2 4.47Å; F189-L199 HydrophobicContact CZ-CD2 4.11Å; S196-L199 PolarHBondContact O-N 3.37Å; L199-D201 WeakPolarHBondContact CD1-O 3.48Å; L199-I204 HydrophobicContact CD1-CB 4.06Å; L199-I204 HydrophobicContact CD1-CD1 4.48Å; L199-I204 HydrophobicContact CD1-CG2 4.42Å; L199-I205 HydrophobicContact CD1-CD1 3.97Å; L199-I205 HydrophobicContact CD1-CG1 3.81Å; L199-I205 HydrophobicContact CD2-CD1 4.06Å; L199-V219 HydrophobicContact CB-CG2 3.97Å; L199-V219 HydrophobicContact CD1-CG2 4.15Å; L199-L223 HydrophobicContact CD2-CD2 3.62Å; L199-F254 HydrophobicContact CD2-CE2 3.54Å; L199-F254 HydrophobicContact CD2-CZ 4.07Å; L199-F254 HydrophobicContact CG-CE2 3.97Å; L199-R257 PolarHBondContact O-NH2 3.09Å
200	T	92.5	Very high	97.6	Very high	79 Å²	79	40.3 Å²	40.3	49%	0.485	22%	0.221	S	C	.	.			trans	-75.3	-28.3	-178.9	54.1	0	0	0	0	113.6	Q198 R257	Q198-T200 VanDerWaalsContact C-N 3.3Å; Q198-T200 PolarHBondContact O-N 2.69Å; T200-R257 VanDerWaalsContact O-CD 3.27Å; T200-R257 WeakPolarHBondContact O-CD 3.44Å; T200-R257 PolarHBondContact O-NE 3.46Å
201	D	93.7	Very high	97.5	Very high	76 Å²	76	44.8 Å²	44.8	41%	0.406	25%	0.25	S	S	.	.	S	Bend	trans	-149.3	147.6	-179.1	-179	-124.4	0	0	0	109.9	L199 S203 I204	L199-D201 WeakPolarHBondContact CD1-O 3.48Å; D201-S203 PolarHBondContact O-N 3.48Å; D201-S203 WeakPolarHBondContact OD1-CB 3.38Å; D201-S203 PolarHBondContact OD1-N 3.44Å; D201-S203 PolarHBondContact OD1-OG 2.79Å; D201-I204 WeakPolarHBondContact O-CB 3.31Å; D201-I204 WeakPolarHBondContact O-CG1 3.45Å; D201-I204 PolarHBondContact O-N 3.19Å
202	L	97.9	Very high	97.5	Very high	24 Å²	24	45.8 Å²	45.8	13%	0.126	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-21.7	-178.4	-67.4	174.4	0	0	0	112.8	L71 I183 F189 I204 I205 E206 F254 N258	L71-L202 HydrophobicContact CD2-CB 4.03Å; I183-L202 HydrophobicContact CD1-CD1 3.55Å; I183-L202 HydrophobicContact CD1-CD2 4.36Å; I183-L202 HydrophobicContact CG1-CD1 4.17Å; F189-L202 HydrophobicContact CD2-CD2 3.68Å; F189-L202 HydrophobicContact CE2-CD2 3.63Å; F189-L202 HydrophobicContact CZ-CD2 4.46Å; L202-I204 PolarHBondContact O-N 2.79Å; L202-I204 VanDerWaalsContact O-N 3.13Å; L202-I205 HydrophobicContact CD2-CD1 4.5Å; L202-I205 PolarHBondContact O-N 2.71Å; L202-E206 PolarHBondContact O-N 2.91Å; L202-F254 HydrophobicContact CD2-CZ 4.03Å; L202-N258 HydrophobicContact CD1-CB 4.25Å; L202-N258 HydrophobicContact CG-CB 4.31Å
203	S	97.2	Very high	97.4	Very high	38 Å²	38	53.9 Å²	53.9	27%	0.266	29%	0.291	S	S	.	.	H	α-helix	trans	-62.3	-18.8	175.8	73.4	0	0	0	0	113.3	D201 I205 E206 N207	D201-S203 PolarHBondContact O-N 3.48Å; D201-S203 WeakPolarHBondContact OD1-CB 3.38Å; D201-S203 PolarHBondContact OD1-N 3.44Å; D201-S203 PolarHBondContact OD1-OG 2.79Å; S203-I205 VanDerWaalsContact C-N 3.27Å; S203-I205 PolarHBondContact O-N 2.96Å; S203-E206 PolarHBondContact O-N 3.1Å; S203-N207 WeakPolarHBondContact O-CB 3.38Å; S203-N207 PolarHBondContact O-N 3.41Å; S203-N207 PolarHBondContact O-ND2 2.95Å
204	I	98	Very high	97.4	Very high	54 Å²	54	55.3 Å²	55.3	28%	0.277	30%	0.299	S	S	.	.	H	α-helix	trans	-60.8	-40.8	171.6	-65.4	173.1	0	0	0	110.2	Q198 L199 D201 L202 T208 V219	Q198-I204 WeakPolarHBondContact O-CD1 3.48Å; L199-I204 HydrophobicContact CD1-CB 4.06Å; L199-I204 HydrophobicContact CD1-CD1 4.48Å; L199-I204 HydrophobicContact CD1-CG2 4.42Å; D201-I204 WeakPolarHBondContact O-CB 3.31Å; D201-I204 WeakPolarHBondContact O-CG1 3.45Å; D201-I204 PolarHBondContact O-N 3.19Å; L202-I204 PolarHBondContact O-N 2.79Å; L202-I204 VanDerWaalsContact O-N 3.13Å; I204-T208 PolarHBondContact O-N 2.95Å; I204-T208 PolarHBondContact O-OG1 3.19Å; I204-V219 HydrophobicContact CG2-CG1 4.11Å; I204-V219 HydrophobicContact CG2-CG2 4.2Å
205	I	98.5	Very high	97.3	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-75.1	-48.1	177.4	-55	173.8	0	0	0	109.6	T70 L71 I180 A181 F189 L199 L202 S203 N207 T208 L223	T70-I205 WeakPolarHBondContact CB-O 3.13Å; T70-I205 HydrophobicContact CG2-CG2 4.19Å; T70-I205 WeakPolarHBondContact CG2-O 3.11Å; L71-I205 HydrophobicContact CB-CB 4.43Å; L71-I205 HydrophobicContact CB-CG2 4.03Å; L71-I205 HydrophobicContact CD1-CG2 4.24Å; I180-I205 HydrophobicContact CB-CG2 3.93Å; I180-I205 HydrophobicContact CG2-CG2 4.22Å; A181-I205 HydrophobicContact CB-CD1 4.09Å; A181-I205 HydrophobicContact CB-CG2 4.43Å; F189-I205 HydrophobicContact CE2-CD1 3.73Å; F189-I205 HydrophobicContact CZ-CD1 3.77Å; L199-I205 HydrophobicContact CD1-CD1 3.97Å; L199-I205 HydrophobicContact CD1-CG1 3.81Å; L199-I205 HydrophobicContact CD2-CD1 4.06Å; L202-I205 HydrophobicContact CD2-CD1 4.5Å; L202-I205 PolarHBondContact O-N 2.71Å; S203-I205 VanDerWaalsContact C-N 3.27Å; S203-I205 PolarHBondContact O-N 2.96Å; I205-N207 VanDerWaalsContact C-N 3.31Å; I205-N207 PolarHBondContact O-N 3Å; I205-T208 WeakPolarHBondContact O-CB 3.48Å; I205-T208 PolarHBondContact O-N 3.37Å; I205-T208 VanDerWaalsContact O-N 3.11Å; I205-L223 HydrophobicContact CD1-CD1 3.69Å; I205-L223 HydrophobicContact CD1-CD2 4.2Å; I205-L223 HydrophobicContact CG1-CD1 3.72Å
206	E	98	Very high	97.2	Very high	117 Å²	117	67.9 Å²	67.9	55%	0.547	35%	0.354	S	S	.	.	H	α-helix	trans	-55.9	-44.4	-178.5	-169.8	179.9	-174.6	0	0	112.4	L71 L202 S203 T208	L71-E206 HydrophobicContact CB-CB 4.28Å; L71-E206 HydrophobicContact CD2-CB 4.41Å; L202-E206 PolarHBondContact O-N 2.91Å; S203-E206 PolarHBondContact O-N 3.1Å; E206-T208 VanDerWaalsContact C-N 3.31Å; E206-T208 PolarHBondContact O-N 2.88Å
207	N	98	Very high	97.1	Very high	116 Å²	116	71.5 Å²	71.5	62%	0.62	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	2.8	-178.2	-64.5	-50.6	0	0	0	113.8	S203 I205 P209	S203-N207 WeakPolarHBondContact O-CB 3.38Å; S203-N207 PolarHBondContact O-N 3.41Å; S203-N207 PolarHBondContact O-ND2 2.95Å; I205-N207 VanDerWaalsContact C-N 3.31Å; I205-N207 PolarHBondContact O-N 3Å; N207-P209 VanDerWaalsContact O-CD 3.3Å; N207-P209 WeakPolarHBondContact O-CD 3.5Å
208	T	98.1	Very high	97.1	Very high	18 Å²	18	69.3 Å²	69.3	11%	0.11	37%	0.368	C	S	.	.			trans	-66.9	117.6	175.5	-71.4	0	0	0	0	109.2	T70 I204 I205 E206 V212 L220	T70-T208 HydrophobicContact CG2-CG2 4.36Å; T70-T208 PolarHBondContact OG1-O 3.41Å; I204-T208 PolarHBondContact O-N 2.95Å; I204-T208 PolarHBondContact O-OG1 3.19Å; I205-T208 WeakPolarHBondContact O-CB 3.48Å; I205-T208 PolarHBondContact O-N 3.37Å; I205-T208 VanDerWaalsContact O-N 3.11Å; E206-T208 VanDerWaalsContact C-N 3.31Å; E206-T208 PolarHBondContact O-N 2.88Å; T208-V212 HydrophobicContact CG2-CB 4.2Å; T208-V212 HydrophobicContact CG2-CG1 4.13Å; T208-V212 HydrophobicContact CG2-CG2 4.15Å; T208-L220 HydrophobicContact CG2-CD1 4.04Å; T208-L220 HydrophobicContact CG2-CD2 4.34Å
209	P	97	Very high	97.1	Very high	105 Å²	105	65.3 Å²	65.3	68%	0.682	35%	0.351	S	S	*	.			trans	-69.2	147.8	-178.1	29.1	-34.8	0	0	0	110.8	N207	N207-P209 VanDerWaalsContact O-CD 3.3Å; N207-P209 WeakPolarHBondContact O-CD 3.5Å
210	K	97.5	Very high	97.2	Very high	45 Å²	45	66.1 Å²	66.1	20%	0.196	36%	0.355	C	S	.	.	S	Bend	trans	-111.6	145.1	176.2	-64.8	-167.4	-73.5	179.6	0	111.1	F65 E68 T70 V177	F65-K210 PolarHBondContact O-NZ 2.81Å; E68-K210 VanDerWaalsContact O-CE 3.3Å; E68-K210 WeakPolarHBondContact O-CE 3.4Å; E68-K210 PolarHBondContact O-NZ 3.3Å; T70-K210 WeakPolarHBondContact OG1-CD 3.19Å; T70-K210 WeakPolarHBondContact OG1-CE 3.3Å; T70-K210 WeakPolarHBondContact OG1-CG 3.24Å; V177-K210 WeakPolarHBondContact O-CD 3.25Å; V177-K210 PolarHBondContact O-NZ 3.26Å
211	P	98	Very high	97.5	Very high	94 Å²	94	62.8 Å²	62.8	61%	0.61	34%	0.335	S	S	*	.	S	Bend	cis	-71.7	152.8	-2.5	30.6	-35.6	0	0	0	113	D176 V177	D176-P211 HydrophobicContact CB-CB 3.91Å; D176-P211 CarbonylContact O-C 3.44Å; D176-P211 VanDerWaalsContact O-CA 3.29Å; D176-P211 WeakPolarHBondContact O-CA 3.19Å; V177-P211 HydrophobicContact CG1-CB 3.83Å
212	V	97.5	Very high	97.7	Very high	20 Å²	20	59.6 Å²	59.6	12%	0.121	32%	0.317	C	S	.	.			trans	-128	126.5	176.2	64	0	0	0	0	111.3	R141 D176 T208 L220	R141-V212 PolarHBondContact NH1-O 3.08Å; D176-V212 PolarHBondContact O-N 2.96Å; T208-V212 HydrophobicContact CG2-CB 4.2Å; T208-V212 HydrophobicContact CG2-CG1 4.13Å; T208-V212 HydrophobicContact CG2-CG2 4.15Å; V212-L220 HydrophobicContact CG2-CD1 3.5Å
213	K	97.6	Very high	97.8	Very high	170 Å²	170	58.4 Å²	58.4	74%	0.739	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-86	128.1	167.5	-69.7	-178	178.6	176.2	0	108.6	P215	K213-P215 WeakPolarHBondContact O-CD 3.29Å
214	I	98	Very high	97.8	Very high	30 Å²	30	56.6 Å²	56.6	15%	0.154	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-67.4	121.4	179.5	-53.7	-59.6	0	0	0	109.2	T146 I180 L220 L224	T146-I214 HydrophobicContact CG2-CB 4.12Å; T146-I214 HydrophobicContact CG2-CG1 3.97Å; I180-I214 HydrophobicContact CD1-CD1 3.89Å; I214-L220 HydrophobicContact CD1-CB 4.32Å; I214-L224 HydrophobicContact CD1-CD1 3.77Å; I214-L224 HydrophobicContact CG1-CD1 3.7Å; I214-L224 HydrophobicContact CG2-CD1 4.11Å
215	P	97	Very high	97.9	Very high	60 Å²	60	56 Å²	56	39%	0.39	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-69	167.1	175.8	30.7	-35.5	0	0	0	111	K213 S217 L220 N221	K213-P215 WeakPolarHBondContact O-CD 3.29Å; P215-S217 WeakPolarHBondContact CB-O 3.12Å; P215-S217 VanDerWaalsContact CG-O 3.28Å; P215-S217 WeakPolarHBondContact CG-O 3.36Å; P215-S217 PolarHBondContact O-N 3.09Å; P215-L220 HydrophobicContact CG-CB 4.41Å; P215-N221 WeakPolarHBondContact O-CB 3.47Å; P215-N221 PolarHBondContact O-OD1 2.91Å
216	R	95	Very high	97.9	Very high	205 Å²	205	56 Å²	56	77%	0.774	29%	0.293	S	S	*	.	S	Bend	trans	-78.6	-4.2	177	-66.6	-170.6	175.4	115	-2.4	114.4
217	S	97.2	Very high	97.9	Very high	76 Å²	76	50.9 Å²	50.9	53%	0.531	27%	0.269	S	S	.	.	S	Bend	trans	-161.4	165.1	178.2	59.8	0	0	0	0	110.9	P215 G242	P215-S217 WeakPolarHBondContact CB-O 3.12Å; P215-S217 VanDerWaalsContact CG-O 3.28Å; P215-S217 WeakPolarHBondContact CG-O 3.36Å; P215-S217 PolarHBondContact O-N 3.09Å; S217-G242 WeakPolarHBondContact CA-O 3.35Å
218	G	97.7	Very high	97.9	Very high	16 Å²	16	45.7 Å²	45.7	17%	0.165	24%	0.242	C	C	.	.	S	Bend	trans	93.8	-176.1	179.7	0	0	0	0	0	113.6	L220 N221 D222	G218-L220 PolarHBondContact O-N 3.3Å; G218-N221 WeakPolarHBondContact O-CA 3.25Å; G218-N221 WeakPolarHBondContact O-CB 3.37Å; G218-N221 PolarHBondContact O-N 2.75Å; G218-D222 PolarHBondContact O-N 2.78Å
219	V	98.3	Very high	97.8	Very high	27 Å²	27	47.5 Å²	47.5	16%	0.164	25%	0.25	C	S	.	.	H	α-helix	trans	-49.5	-48.2	-167.8	66.4	0	0	0	0	114.8	Q198 L199 I204 N221 D222 L223	Q198-V219 HydrophobicContact CB-CB 4.1Å; Q198-V219 VanDerWaalsContact OE1-N 3.17Å; L199-V219 HydrophobicContact CB-CG2 3.97Å; L199-V219 HydrophobicContact CD1-CG2 4.15Å; I204-V219 HydrophobicContact CG2-CG1 4.11Å; I204-V219 HydrophobicContact CG2-CG2 4.2Å; V219-N221 VanDerWaalsContact C-N 3.33Å; V219-N221 PolarHBondContact O-N 3Å; V219-D222 PolarHBondContact O-N 2.97Å; V219-L223 HydrophobicContact CG2-CD1 4.27Å; V219-L223 VanDerWaalsContact O-CG 3.26Å; V219-L223 WeakPolarHBondContact O-CG 3.46Å; V219-L223 PolarHBondContact O-N 3.49Å
220	L	98.4	Very high	97.8	Very high	18 Å²	18	47.5 Å²	47.5	9%	0.094	24%	0.241	C	C	.	.	H	α-helix	trans	-69.6	-30.5	-179	-64.3	-178.6	0	0	0	112.9	I180 T208 V212 I214 P215 G218 L223 L224	I180-L220 HydrophobicContact CG1-CD2 4.41Å; I180-L220 HydrophobicContact CG2-CD2 4.49Å; T208-L220 HydrophobicContact CG2-CD1 4.04Å; T208-L220 HydrophobicContact CG2-CD2 4.34Å; V212-L220 HydrophobicContact CG2-CD1 3.5Å; I214-L220 HydrophobicContact CD1-CB 4.32Å; P215-L220 HydrophobicContact CG-CB 4.41Å; G218-L220 PolarHBondContact O-N 3.3Å; L220-L223 HydrophobicContact CD2-CD1 4.32Å; L220-L224 WeakPolarHBondContact O-CG 3.48Å
221	N	98.5	Very high	97.8	Very high	9 Å²	9	51 Å²	51	5%	0.048	27%	0.266	C	S	.	.	H	α-helix	trans	-69.2	-48.1	173.5	-175.4	74.6	0	0	0	109.9	P215 G218 V219 L223 L224 W225 G242	P215-N221 WeakPolarHBondContact O-CB 3.47Å; P215-N221 PolarHBondContact O-OD1 2.91Å; G218-N221 WeakPolarHBondContact O-CA 3.25Å; G218-N221 WeakPolarHBondContact O-CB 3.37Å; G218-N221 PolarHBondContact O-N 2.75Å; V219-N221 VanDerWaalsContact C-N 3.33Å; V219-N221 PolarHBondContact O-N 3Å; N221-L223 VanDerWaalsContact C-N 3.31Å; N221-L223 PolarHBondContact O-N 3.32Å; N221-L224 PolarHBondContact O-N 3.15Å; N221-W225 WeakPolarHBondContact O-CB 3.31Å; N221-W225 VanDerWaalsContact O-CD1 3.23Å; N221-W225 PolarHBondContact O-N 2.95Å; N221-W225 PolarHBondContact OD1-NE1 3.38Å; N221-G242 PolarHBondContact ND2-O 3.18Å
222	D	98.7	Very high	97.7	Very high	8 Å²	8	48.5 Å²	48.5	4%	0.043	25%	0.25	C	C	.	.	H	α-helix	trans	-60.9	-38.8	-179.8	-65.7	-25.3	0	0	0	112.8	S196 G218 V219 L224 W225 S226 T243	S196-D222 WeakPolarHBondContact CB-OD2 3.15Å; S196-D222 PolarHBondContact OG-OD2 2.89Å; G218-D222 PolarHBondContact O-N 2.78Å; V219-D222 PolarHBondContact O-N 2.97Å; D222-L224 PolarHBondContact O-N 2.69Å; D222-L224 VanDerWaalsContact O-N 3.15Å; D222-W225 PolarHBondContact O-N 2.61Å; D222-S226 WeakPolarHBondContact O-CB 3.48Å; D222-S226 PolarHBondContact O-N 2.79Å; D222-S226 PolarHBondContact O-OG 3.08Å; D222-T243 WeakPolarHBondContact CA-OG1 3.25Å; D222-T243 VanDerWaalsContact OD1-CA 3.31Å; D222-T243 WeakPolarHBondContact OD1-CA 3.49Å; D222-T243 WeakPolarHBondContact OD1-CB 3.19Å; D222-T243 PolarHBondContact OD1-OG1 2.77Å
223	L	98.8	Very high	97.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-58.4	-28.2	175.3	-73.1	172.6	0	0	0	112.5	I180 F189 V191 G193 G194 L199 I205 V219 L220 N221	I180-L223 HydrophobicContact CG2-CB 4.17Å; I180-L223 HydrophobicContact CG2-CD1 3.73Å; F189-L223 HydrophobicContact CE1-CD2 4.31Å; F189-L223 HydrophobicContact CZ-CD2 3.93Å; V191-L223 HydrophobicContact CG2-CB 4.15Å; V191-L223 HydrophobicContact CG2-CD2 4.2Å; V191-L223 VanDerWaalsContact CG2-O 3.24Å; V191-L223 WeakPolarHBondContact CG2-O 3.12Å; G193-L223 CarbonylContact C-O 3.43Å; G193-L223 WeakPolarHBondContact CA-O 3.39Å; G193-L223 PolarHBondContact N-O 3.11Å; G194-L223 PolarHBondContact N-O 3.08Å; G194-L223 VanDerWaalsContact N-O 3.15Å; G194-L223 WeakPolarHBondContact O-CD2 3.38Å; L199-L223 HydrophobicContact CD2-CD2 3.62Å; I205-L223 HydrophobicContact CD1-CD1 3.69Å; I205-L223 HydrophobicContact CD1-CD2 4.2Å; I205-L223 HydrophobicContact CG1-CD1 3.72Å; V219-L223 HydrophobicContact CG2-CD1 4.27Å; V219-L223 VanDerWaalsContact O-CG 3.26Å; V219-L223 WeakPolarHBondContact O-CG 3.46Å; V219-L223 PolarHBondContact O-N 3.49Å; L220-L223 HydrophobicContact CD2-CD1 4.32Å; N221-L223 VanDerWaalsContact C-N 3.31Å; N221-L223 PolarHBondContact O-N 3.32Å
224	L	98.7	Very high	97.6	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-100.7	-11.1	-179.6	-55.6	-168.4	0	0	0	114.2	R141 N143 H192 I214 L220 N221 D222	R141-L224 HydrophobicContact CG-CD1 4.36Å; R141-L224 WeakPolarHBondContact O-CD2 3.33Å; N143-L224 HydrophobicContact CB-CB 4.14Å; H192-L224 HydrophobicContact CB-CD2 4.23Å; H192-L224 PolarHBondContact CD2-O 3Å; I214-L224 HydrophobicContact CD1-CD1 3.77Å; I214-L224 HydrophobicContact CG1-CD1 3.7Å; I214-L224 HydrophobicContact CG2-CD1 4.11Å; L220-L224 WeakPolarHBondContact O-CG 3.48Å; N221-L224 PolarHBondContact O-N 3.15Å; D222-L224 PolarHBondContact O-N 2.69Å; D222-L224 VanDerWaalsContact O-N 3.15Å
225	W	98.6	Very high	97.6	Very high	41 Å²	41	51 Å²	51	16%	0.155	27%	0.267	C	S	.	.	H	α-helix	trans	-133.3	-20.2	-169	-73.5	101.2	0	0	0	115.5	N143 M149 N221 D222 R240 T243 H267	N143-W225 HydrophobicContact CB-CD2 3.8Å; N143-W225 HydrophobicContact CB-CE3 4.39Å; N143-W225 HydrophobicContact CB-CG 4.23Å; N143-W225 HydrophobicContact CB-CH2 4.35Å; N143-W225 HydrophobicContact CB-CZ2 3.69Å; N143-W225 WeakPolarHBondContact ND2-CH2 3.33Å; N143-W225 VanDerWaalsContact ND2-CZ2 3.34Å; N143-W225 WeakPolarHBondContact ND2-CZ2 3.28Å; N143-W225 WeakPolarHBondContact ND2-CZ3 3.44Å; M149-W225 HydrophobicContact CE-CH2 3.47Å; M149-W225 VanDerWaalsContact CE-CH2 3.47Å; M149-W225 HydrophobicContact CE-CZ2 3.99Å; M149-W225 HydrophobicContact CE-CZ3 4.43Å; M149-W225 HydrophobicContact CG-CH2 4.47Å; M149-W225 HydrophobicContact CG-CZ2 4.07Å; M149-W225 HydrophobicContact SD-CH2 3.51Å; M149-W225 VanDerWaalsContact SD-CH2 3.51Å; M149-W225 HydrophobicContact SD-CZ2 3.58Å; M149-W225 VanDerWaalsContact SD-CZ2 3.58Å; N221-W225 WeakPolarHBondContact O-CB 3.31Å; N221-W225 VanDerWaalsContact O-CD1 3.23Å; N221-W225 PolarHBondContact O-N 2.95Å; N221-W225 PolarHBondContact OD1-NE1 3.38Å; D222-W225 PolarHBondContact O-N 2.61Å; W225-R240 HydrophobicContact CE3-CB 4.43Å; W225-T243 HydrophobicContact CB-CG2 3.82Å; W225-H267 AromaticContact CE3-CE1 3.81Å; W225-H267 AromaticContact CE3-NE2 3.86Å
226	S	98.5	Very high	97.6	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.265	C	S	.	.			trans	-70	146.7	-177.3	63.4	0	0	0	0	111.5	G193 G194 I195 D222 C244 R265	G193-S226 CarbonylContact C-O 3.48Å; G193-S226 VanDerWaalsContact C-O 3.24Å; G194-S226 VanDerWaalsContact C-OG 3.31Å; G194-S226 VanDerWaalsContact CA-OG 3.25Å; G194-S226 WeakPolarHBondContact CA-OG 3.36Å; G194-S226 PolarHBondContact N-OG 3.44Å; I195-S226 PolarHBondContact N-OG 3.49Å; I195-S226 WeakPolarHBondContact O-CB 3.3Å; I195-S226 PolarHBondContact O-OG 2.89Å; D222-S226 WeakPolarHBondContact O-CB 3.48Å; D222-S226 PolarHBondContact O-N 2.79Å; D222-S226 PolarHBondContact O-OG 3.08Å; S226-C244 WeakPolarHBondContact CA-O 3.29Å; S226-C244 WeakPolarHBondContact CB-O 3.46Å; S226-R265 PolarHBondContact O-NH2 3.22Å
227	D	98.3	Very high	97.7	Very high	10 Å²	10	47 Å²	47	5%	0.053	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	142.8	-177.6	-77.6	-40.2	0	0	0	112.2	R240 C244 S245 Y246 R265 H267 Q268	D227-R240 IonicContact OD1-NH2 3.9Å; D227-R240 IonicContact OD2-CZ 3.38Å; D227-R240 IonicContact OD2-NE 3.26Å; D227-R240 PolarHBondContact OD2-NE 3.3Å; D227-R240 IonicContact OD2-NH2 3.57Å; D227-R240 PolarHBondContact OD2-NH2 3.03Å; D227-C244 PolarHBondContact N-O 2.83Å; D227-S245 CarbonylContact O-C 3.47Å; D227-S245 WeakPolarHBondContact O-CA 3.35Å; D227-S245 VanDerWaalsContact O-CB 3.3Å; D227-S245 WeakPolarHBondContact O-CB 3.4Å; D227-Y246 VanDerWaalsContact C-CE1 3.44Å; D227-Y246 WeakPolarHBondContact O-CD1 3.44Å; D227-Y246 PolarHBondContact O-N 3.03Å; D227-R265 IonicContact OD1-CZ 2.86Å; D227-R265 VanDerWaalsContact OD1-CZ 3.26Å; D227-R265 IonicContact OD1-NH1 2.9Å; D227-R265 PolarHBondContact OD1-NH1 2.8Å; D227-R265 IonicContact OD1-NH2 3.7Å; D227-R265 PolarHBondContact OD1-NH2 3.12Å; D227-H267 IonicContact OD1-CD2 2.76Å; D227-H267 PolarHBondContact OD1-CD2 3.49Å; D227-Q268 VanDerWaalsContact CG-NE2 3.35Å; D227-Q268 VanDerWaalsContact OD1-CD 3.25Å; D227-Q268 VanDerWaalsContact OD1-CG 3.25Å; D227-Q268 WeakPolarHBondContact OD1-CG 3.39Å
228	P	98	Very high	97.7	Very high	8 Å²	8	44 Å²	44	5%	0.052	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	146.9	165.7	30.4	-34.2	0	0	0	111	Y246 N277 V282	P228-Y246 CarbonylContact C-O 3.53Å; P228-Y246 VanDerWaalsContact CA-O 3.27Å; P228-Y246 WeakPolarHBondContact CA-O 3.26Å; P228-Y246 HydrophobicContact CB-CD2 4.42Å; P228-Y246 HydrophobicContact CB-CE2 3.81Å; P228-N277 VanDerWaalsContact CB-OD1 3.26Å; P228-N277 WeakPolarHBondContact CB-OD1 3.38Å; P228-N277 WeakPolarHBondContact CG-ND2 3.48Å; P228-V282 HydrophobicContact CB-CG1 4.37Å; P228-V282 HydrophobicContact CG-CG1 4.16Å
229	I	97.2	Very high	97.6	Very high	56 Å²	56	51.8 Å²	51.8	29%	0.287	28%	0.28	S	S	.	.			trans	-147.9	137	174.6	-170.6	171.8	0	0	0	110.8	T231 V232 I236 Y246 G247	I229-T231 VanDerWaalsContact CD1-OG1 3.23Å; I229-T231 WeakPolarHBondContact CD1-OG1 3.33Å; I229-T231 WeakPolarHBondContact CG1-OG1 3.47Å; I229-V232 HydrophobicContact CG2-CG2 3.72Å; I229-I236 HydrophobicContact CG2-CG2 4.38Å; I229-Y246 PolarHBondContact N-O 3.48Å; I229-G247 VanDerWaalsContact O-CA 3.31Å; I229-G247 WeakPolarHBondContact O-CA 2.9Å
230	E	97.1	Very high	97.4	Very high	104 Å²	104	55.5 Å²	55.5	49%	0.486	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-13.1	-176	-67.8	-63.4	161.6	0	0	114.3	V232 P248 N277 S278	E230-V232 VanDerWaalsContact C-N 3.35Å; E230-V232 PolarHBondContact O-N 2.91Å; E230-P248 VanDerWaalsContact OE2-CG 3.26Å; E230-P248 WeakPolarHBondContact OE2-CG 3.17Å; E230-N277 VanDerWaalsContact OE1-CB 3.3Å; E230-N277 WeakPolarHBondContact OE1-CB 3.39Å; E230-S278 PolarHBondContact OE1-N 3.01Å
231	T	96.4	Very high	97.1	Very high	118 Å²	118	56.9 Å²	56.9	72%	0.724	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-6.1	-169.5	59.6	0	0	0	0	114.2	I229	I229-T231 VanDerWaalsContact CD1-OG1 3.23Å; I229-T231 WeakPolarHBondContact CD1-OG1 3.33Å; I229-T231 WeakPolarHBondContact CG1-OG1 3.47Å
232	V	96.4	Very high	96.9	Very high	43 Å²	43	58.7 Å²	58.7	26%	0.261	33%	0.33	S	S	.	.	S	Bend	trans	-132.7	160.1	175.6	-60.7	0	0	0	0	110.1	I229 E230 I236 G247 P248	I229-V232 HydrophobicContact CG2-CG2 3.72Å; E230-V232 VanDerWaalsContact C-N 3.35Å; E230-V232 PolarHBondContact O-N 2.91Å; V232-I236 HydrophobicContact CG1-CD1 4.29Å; V232-I236 HydrophobicContact CG2-CB 4.38Å; V232-I236 HydrophobicContact CG2-CG2 4.08Å; V232-G247 VanDerWaalsContact O-CA 3.32Å; V232-G247 WeakPolarHBondContact O-CA 3.26Å; V232-P248 VanDerWaalsContact O-CD 3.24Å; V232-P248 WeakPolarHBondContact O-CD 3.12Å
233	S	96.1	Very high	96.9	Very high	78 Å²	78	58.9 Å²	58.9	55%	0.545	33%	0.332	S	S	.	.	S	Bend	trans	-79.8	-47.6	178.1	54.4	0	0	0	0	112.8	G247 A249 A250	S233-G247 CarbonylContact O-C 3.58Å; S233-G247 WeakPolarHBondContact O-CA 3.3Å; S233-A249 WeakPolarHBondContact O-CA 3.33Å; S233-A249 VanDerWaalsContact O-CB 3.22Å; S233-A249 WeakPolarHBondContact O-CB 3.26Å; S233-A249 PolarHBondContact O-N 3.19Å; S233-A250 PolarHBondContact O-N 3.37Å
234	E	96.2	Very high	96.9	Very high	109 Å²	109	59.5 Å²	59.5	51%	0.509	34%	0.336	S	S	.	.	S	Bend	trans	-115.7	-94.4	-170.1	-67.9	-171.8	-170.4	0	0	113.1	Y246 G247 A249 A250	E234-Y246 CarbonylContact O-C 3.47Å; E234-Y246 WeakPolarHBondContact O-CA 3.33Å; E234-G247 PolarHBondContact O-N 3.48Å; E234-A249 HydrophobicContact CG-CB 4.3Å; E234-A250 WeakPolarHBondContact O-CB 3.18Å
235	W	98	Very high	96.9	Very high	84 Å²	84	60.1 Å²	60.1	32%	0.318	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	142.6	-171.4	-56.3	94.1	0	0	0	111	I195 P197 C244 S245 Y246 A250	I195-W235 HydrophobicContact CB-CH2 4.25Å; I195-W235 HydrophobicContact CD1-CH2 3.68Å; I195-W235 HydrophobicContact CD1-CZ2 4.17Å; I195-W235 HydrophobicContact CG1-CH2 3.65Å; I195-W235 HydrophobicContact CG1-CZ3 4.21Å; I195-W235 WeakPolarHBondContact O-CZ3 3.23Å; P197-W235 HydrophobicContact CB-CD2 3.95Å; P197-W235 HydrophobicContact CB-CE3 4.31Å; P197-W235 HydrophobicContact CB-CG 4.39Å; P197-W235 HydrophobicContact CB-CH2 4.4Å; P197-W235 HydrophobicContact CB-CZ2 4.06Å; P197-W235 VanDerWaalsContact CD-CZ3 3.43Å; P197-W235 HydrophobicContact CG-CD2 4.35Å; P197-W235 HydrophobicContact CG-CE3 4.27Å; P197-W235 HydrophobicContact CG-CZ3 4.46Å; W235-C244 HydrophobicContact CE3-CB 4.32Å; W235-S245 WeakPolarHBondContact CA-O 3.44Å; W235-Y246 VanDerWaalsContact CZ3-CB 3.46Å; W235-Y246 HydrophobicContact CZ3-CD1 4.22Å; W235-Y246 HydrophobicContact CZ3-CG 4.14Å; W235-A250 HydrophobicContact CD2-CB 4.23Å; W235-A250 HydrophobicContact CH2-CB 4.42Å; W235-A250 HydrophobicContact CZ2-CB 3.76Å
236	I	97.9	Very high	96.8	Very high	71 Å²	71	58.2 Å²	58.2	36%	0.364	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	149	170.6	-168.4	170.3	0	0	0	109.2	I229 V232 S238 C244 S245	I229-I236 HydrophobicContact CG2-CG2 4.38Å; V232-I236 HydrophobicContact CG1-CD1 4.29Å; V232-I236 HydrophobicContact CG2-CB 4.38Å; V232-I236 HydrophobicContact CG2-CG2 4.08Å; I236-S238 PolarHBondContact O-N 3.35Å; I236-C244 CarbonylContact O-C 3.54Å; I236-C244 WeakPolarHBondContact O-CA 3.32Å; I236-C244 WeakPolarHBondContact O-CB 3.48Å; I236-S245 PolarHBondContact N-O 3.47Å; I236-S245 PolarHBondContact O-N 3.03Å
237	P	97.5	Very high	96.8	Very high	111 Å²	111	58.2 Å²	58.2	72%	0.721	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.2	137.8	167	-26.7	36.4	0	0	0	111.2
238	S	97	Very high	96.8	Very high	14 Å²	14	58.7 Å²	58.7	10%	0.098	34%	0.337	C	S	.	.			trans	-86.2	145.5	178.1	178.7	0	0	0	0	111.3	I236 R240 G241 T243	I236-S238 PolarHBondContact O-N 3.35Å; S238-R240 PolarHBondContact O-N 3.26Å; S238-R240 VanDerWaalsContact O-N 3.13Å; S238-R240 PolarHBondContact OG-N 2.97Å; S238-R240 VanDerWaalsContact OG-N 3.16Å; S238-G241 PolarHBondContact O-N 3.18Å; S238-G241 VanDerWaalsContact O-N 3.11Å; S238-T243 VanDerWaalsContact CB-CG2 3.49Å; S238-T243 PolarHBondContact N-O 3.32Å; S238-T243 VanDerWaalsContact N-O 3.14Å
239	D	94.2	Very high	96.8	Very high	179 Å²	179	60.5 Å²	60.5	96%	0.957	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-15.2	170.7	-67.3	-27.2	0	0	0	113.2	G241	D239-G241 PolarHBondContact O-N 3.13Å
240	R	94.2	Very high	96.9	Very high	105 Å²	105	58 Å²	58	40%	0.396	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-18.9	174.6	-60.6	-172.7	-170.9	-100	10.6	113.5	W225 D227 S238 T243 H267	W225-R240 HydrophobicContact CE3-CB 4.43Å; D227-R240 IonicContact OD1-NH2 3.9Å; D227-R240 IonicContact OD2-CZ 3.38Å; D227-R240 IonicContact OD2-NE 3.26Å; D227-R240 PolarHBondContact OD2-NE 3.3Å; D227-R240 IonicContact OD2-NH2 3.57Å; D227-R240 PolarHBondContact OD2-NH2 3.03Å; S238-R240 PolarHBondContact O-N 3.26Å; S238-R240 VanDerWaalsContact O-N 3.13Å; S238-R240 PolarHBondContact OG-N 2.97Å; S238-R240 VanDerWaalsContact OG-N 3.16Å; R240-T243 HydrophobicContact CB-CG2 4.08Å; R240-H267 PolarHBondContact NE-NE2 3.14Å; R240-H267 PolarHBondContact NH1-NE2 2.72Å; R240-H267 PolarHBondContact NH2-NE2 2.9Å
241	G	93.4	Very high	96.9	Very high	46 Å²	46	53.1 Å²	53.1	47%	0.474	32%	0.317	S	S	.	.	S	Bend	trans	76.3	146.2	-176.3	0	0	0	0	0	113.4	S238 D239 T243	S238-G241 PolarHBondContact O-N 3.18Å; S238-G241 VanDerWaalsContact O-N 3.11Å; D239-G241 PolarHBondContact O-N 3.13Å; G241-T243 PolarHBondContact O-N 2.51Å
242	G	94.3	Very high	97	Very high	47 Å²	47	50.2 Å²	50.2	49%	0.485	30%	0.296	S	S	.	.	S	Bend	trans	68.4	-4.8	178.4	0	0	0	0	0	115.9	S217 N221	S217-G242 WeakPolarHBondContact CA-O 3.35Å; N221-G242 PolarHBondContact ND2-O 3.18Å
243	T	98.1	Very high	97	Very high	13 Å²	13	53 Å²	53	8%	0.08	31%	0.308	C	S	.	.	S	Bend	trans	-132.4	-175.2	179.4	-162.2	0	0	0	0	111.9	D222 W225 S238 R240 G241	D222-T243 WeakPolarHBondContact CA-OG1 3.25Å; D222-T243 VanDerWaalsContact OD1-CA 3.31Å; D222-T243 WeakPolarHBondContact OD1-CA 3.49Å; D222-T243 WeakPolarHBondContact OD1-CB 3.19Å; D222-T243 PolarHBondContact OD1-OG1 2.77Å; W225-T243 HydrophobicContact CB-CG2 3.82Å; S238-T243 VanDerWaalsContact CB-CG2 3.49Å; S238-T243 PolarHBondContact N-O 3.32Å; S238-T243 VanDerWaalsContact N-O 3.14Å; R240-T243 HydrophobicContact CB-CG2 4.08Å; G241-T243 PolarHBondContact O-N 2.51Å
244	C	98.2	Very high	97.1	Very high	13 Å²	13	49.3 Å²	49.3	9%	0.088	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	162.4	-179.4	56.3	0	0	0	0	111.7	P197 S226 D227 W235 I236	P197-C244 VanDerWaalsContact CD-SG 3.56Å; S226-C244 WeakPolarHBondContact CA-O 3.29Å; S226-C244 WeakPolarHBondContact CB-O 3.46Å; D227-C244 PolarHBondContact N-O 2.83Å; W235-C244 HydrophobicContact CE3-CB 4.32Å; I236-C244 CarbonylContact O-C 3.54Å; I236-C244 WeakPolarHBondContact O-CA 3.32Å; I236-C244 WeakPolarHBondContact O-CB 3.48Å
245	S	98.4	Very high	97.2	Very high	13 Å²	13	44.2 Å²	44.2	9%	0.091	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	153.5	162.9	-64.9	0	0	0	0	109	D227 W235 I236	D227-S245 CarbonylContact O-C 3.47Å; D227-S245 WeakPolarHBondContact O-CA 3.35Å; D227-S245 VanDerWaalsContact O-CB 3.3Å; D227-S245 WeakPolarHBondContact O-CB 3.4Å; W235-S245 WeakPolarHBondContact CA-O 3.44Å; I236-S245 PolarHBondContact N-O 3.47Å; I236-S245 PolarHBondContact O-N 3.03Å
246	Y	98.4	Very high	97.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	141.2	-173.8	60.9	-90.1	0	0	0	112.9	I195 D227 P228 I229 E234 W235 A251 V282	I195-Y246 HydrophobicContact CD1-CD2 3.81Å; I195-Y246 HydrophobicContact CD1-CE2 4.16Å; I195-Y246 HydrophobicContact CD1-CG 4.06Å; I195-Y246 HydrophobicContact CG1-CD1 3.73Å; I195-Y246 HydrophobicContact CG1-CD2 3.7Å; I195-Y246 HydrophobicContact CG1-CE1 3.84Å; I195-Y246 HydrophobicContact CG1-CE2 3.8Å; I195-Y246 HydrophobicContact CG1-CG 3.67Å; D227-Y246 VanDerWaalsContact C-CE1 3.44Å; D227-Y246 WeakPolarHBondContact O-CD1 3.44Å; D227-Y246 PolarHBondContact O-N 3.03Å; P228-Y246 CarbonylContact C-O 3.53Å; P228-Y246 VanDerWaalsContact CA-O 3.27Å; P228-Y246 WeakPolarHBondContact CA-O 3.26Å; P228-Y246 HydrophobicContact CB-CD2 4.42Å; P228-Y246 HydrophobicContact CB-CE2 3.81Å; I229-Y246 PolarHBondContact N-O 3.48Å; E234-Y246 CarbonylContact O-C 3.47Å; E234-Y246 WeakPolarHBondContact O-CA 3.33Å; W235-Y246 VanDerWaalsContact CZ3-CB 3.46Å; W235-Y246 HydrophobicContact CZ3-CD1 4.22Å; W235-Y246 HydrophobicContact CZ3-CG 4.14Å; Y246-A251 HydrophobicContact CD2-CB 4.31Å; Y246-A251 HydrophobicContact CE2-CB 4.37Å; Y246-V282 HydrophobicContact CE2-CG2 4.11Å
247	G	98.2	Very high	97	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.273	C	S	.	.			trans	-95.7	178.8	-179	0	0	0	0	0	114.3	I229 V232 S233 E234 A249 A250 A251	I229-G247 VanDerWaalsContact O-CA 3.31Å; I229-G247 WeakPolarHBondContact O-CA 2.9Å; V232-G247 VanDerWaalsContact O-CA 3.32Å; V232-G247 WeakPolarHBondContact O-CA 3.26Å; S233-G247 CarbonylContact O-C 3.58Å; S233-G247 WeakPolarHBondContact O-CA 3.3Å; E234-G247 PolarHBondContact O-N 3.48Å; G247-A249 VanDerWaalsContact C-N 3.28Å; G247-A249 PolarHBondContact O-N 2.82Å; G247-A250 PolarHBondContact O-N 2.83Å; G247-A250 VanDerWaalsContact O-N 3.14Å; G247-A251 PolarHBondContact O-N 2.85Å; G247-A251 VanDerWaalsContact O-N 3.1Å
248	P	98.3	Very high	97	Very high	21 Å²	21	42.8 Å²	42.8	14%	0.136	24%	0.243	C	C	.	.	H	α-helix	trans	-59.1	-34.6	-175.2	-26.5	35.5	0	0	0	114.2	E230 V232 A251 E252	E230-P248 VanDerWaalsContact OE2-CG 3.26Å; E230-P248 WeakPolarHBondContact OE2-CG 3.17Å; V232-P248 VanDerWaalsContact O-CD 3.24Å; V232-P248 WeakPolarHBondContact O-CD 3.12Å; P248-A251 PolarHBondContact O-N 2.87Å; P248-E252 WeakPolarHBondContact O-CB 3.27Å; P248-E252 PolarHBondContact O-N 2.84Å
249	A	98.2	Very high	97	Very high	46 Å²	46	52.7 Å²	52.7	38%	0.38	28%	0.279	S	S	.	.	H	α-helix	trans	-72.3	-36	179.6	0	0	0	0	0	112	S233 E234 G247 L253	S233-A249 WeakPolarHBondContact O-CA 3.33Å; S233-A249 VanDerWaalsContact O-CB 3.22Å; S233-A249 WeakPolarHBondContact O-CB 3.26Å; S233-A249 PolarHBondContact O-N 3.19Å; E234-A249 HydrophobicContact CG-CB 4.3Å; G247-A249 VanDerWaalsContact C-N 3.28Å; G247-A249 PolarHBondContact O-N 2.82Å; A249-L253 VanDerWaalsContact O-CB 3.28Å; A249-L253 WeakPolarHBondContact O-CB 3.46Å; A249-L253 PolarHBondContact O-N 3.13Å
250	A	98.1	Very high	97.1	Very high	4 Å²	4	44.6 Å²	44.6	3%	0.033	24%	0.235	C	C	.	.	H	α-helix	trans	-65.4	-42.8	173.2	0	0	0	0	0	111.7	I195 S233 E234 W235 G247 F254	I195-A250 HydrophobicContact CD1-CB 4.5Å; S233-A250 PolarHBondContact O-N 3.37Å; E234-A250 WeakPolarHBondContact O-CB 3.18Å; W235-A250 HydrophobicContact CD2-CB 4.23Å; W235-A250 HydrophobicContact CH2-CB 4.42Å; W235-A250 HydrophobicContact CZ2-CB 3.76Å; G247-A250 PolarHBondContact O-N 2.83Å; G247-A250 VanDerWaalsContact O-N 3.14Å; A250-F254 WeakPolarHBondContact O-CB 3.25Å; A250-F254 PolarHBondContact O-N 3.32Å
251	A	98.2	Very high	97.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-63.4	-46	175.6	0	0	0	0	0	112.2	Y246 G247 P248 F254 C255 I263 R281 V282	Y246-A251 HydrophobicContact CD2-CB 4.31Å; Y246-A251 HydrophobicContact CE2-CB 4.37Å; G247-A251 PolarHBondContact O-N 2.85Å; G247-A251 VanDerWaalsContact O-N 3.1Å; P248-A251 PolarHBondContact O-N 2.87Å; A251-F254 PolarHBondContact O-N 3.33Å; A251-C255 WeakPolarHBondContact O-CB 3.24Å; A251-C255 PolarHBondContact O-N 2.88Å; A251-C255 PolarHBondContact O-SG 3.46Å; A251-I263 HydrophobicContact CB-CD1 4.27Å; A251-R281 HydrophobicContact CB-CB 4.38Å; A251-V282 HydrophobicContact CB-CG2 3.94Å
252	E	97.7	Very high	97.4	Very high	58 Å²	58	41.1 Å²	41.1	27%	0.271	22%	0.217	S	C	.	.	H	α-helix	trans	-60	-48.3	176.7	-175.6	66.4	-150.6	0	0	111.2	P248 F254 C255 L256 R281	P248-E252 WeakPolarHBondContact O-CB 3.27Å; P248-E252 PolarHBondContact O-N 2.84Å; E252-F254 VanDerWaalsContact C-N 3.33Å; E252-F254 PolarHBondContact O-N 3.21Å; E252-C255 PolarHBondContact O-N 3.45Å; E252-L256 HydrophobicContact CG-CD1 3.98Å; E252-L256 HydrophobicContact CG-CG 4.41Å; E252-L256 WeakPolarHBondContact O-CB 3.15Å; E252-L256 WeakPolarHBondContact O-CG 3.48Å; E252-L256 PolarHBondContact O-N 2.72Å; E252-R281 IonicContact OE1-CZ 3.08Å; E252-R281 IonicContact OE1-NE 3.12Å; E252-R281 IonicContact OE1-NH2 2.89Å; E252-R281 PolarHBondContact OE1-NH2 3.11Å; E252-R281 VanDerWaalsContact OE2-CG 3.31Å; E252-R281 WeakPolarHBondContact OE2-CG 3.29Å; E252-R281 IonicContact OE2-CZ 3.65Å; E252-R281 IonicContact OE2-NE 3.79Å; E252-R281 PolarHBondContact OE2-NE 3.19Å; E252-R281 IonicContact OE2-NH2 3.63Å; E252-R281 PolarHBondContact OE2-NH2 3.24Å
253	L	96.9	Very high	97.6	Very high	100 Å²	100	38.9 Å²	38.9	52%	0.524	19%	0.194	S	C	.	.	H	α-helix	trans	-61.4	-42.3	179.3	-179.5	62.2	0	0	0	111.7	A249 R257	A249-L253 VanDerWaalsContact O-CB 3.28Å; A249-L253 WeakPolarHBondContact O-CB 3.46Å; A249-L253 PolarHBondContact O-N 3.13Å; L253-R257 WeakPolarHBondContact O-CB 3.37Å; L253-R257 PolarHBondContact O-N 3.22Å
254	F	97.8	Very high	97.7	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.009	19%	0.19	C	C	.	.	H	α-helix	trans	-60.5	-46.5	174.9	175.5	-90.8	0	0	0	111.7	F189 I195 L199 L202 A250 A251 E252 N258 I263	F189-F254 HydrophobicContact CB-CE1 4.01Å; F189-F254 HydrophobicContact CB-CZ 4.44Å; F189-F254 AromaticContact CD1-CE1 3.63Å; F189-F254 HydrophobicContact CD1-CE1 3.63Å; F189-F254 AromaticContact CD1-CZ 3.65Å; F189-F254 HydrophobicContact CD1-CZ 3.65Å; F189-F254 HydrophobicContact CD2-CZ 4.31Å; F189-F254 HydrophobicContact CE1-CE1 4.29Å; F189-F254 AromaticContact CE1-CZ 3.9Å; F189-F254 HydrophobicContact CE1-CZ 3.9Å; F189-F254 AromaticContact CG-CE1 3.86Å; F189-F254 HydrophobicContact CG-CE1 3.86Å; F189-F254 AromaticContact CG-CZ 3.87Å; F189-F254 HydrophobicContact CG-CZ 3.87Å; F189-F254 HydrophobicContact CZ-CZ 4.35Å; I195-F254 HydrophobicContact CB-CD2 4.29Å; I195-F254 HydrophobicContact CB-CG 4.42Å; I195-F254 HydrophobicContact CD1-CB 3.81Å; I195-F254 HydrophobicContact CD1-CG 4.21Å; I195-F254 HydrophobicContact CG2-CD1 3.78Å; I195-F254 HydrophobicContact CG2-CD2 3.85Å; I195-F254 HydrophobicContact CG2-CE1 3.84Å; I195-F254 HydrophobicContact CG2-CE2 3.94Å; I195-F254 HydrophobicContact CG2-CG 3.77Å; I195-F254 HydrophobicContact CG2-CZ 3.92Å; L199-F254 HydrophobicContact CD2-CE2 3.54Å; L199-F254 HydrophobicContact CD2-CZ 4.07Å; L199-F254 HydrophobicContact CG-CE2 3.97Å; L202-F254 HydrophobicContact CD2-CZ 4.03Å; A250-F254 WeakPolarHBondContact O-CB 3.25Å; A250-F254 PolarHBondContact O-N 3.32Å; A251-F254 PolarHBondContact O-N 3.33Å; E252-F254 VanDerWaalsContact C-N 3.33Å; E252-F254 PolarHBondContact O-N 3.21Å; F254-N258 VanDerWaalsContact CD2-ND2 3.32Å; F254-N258 WeakPolarHBondContact CD2-ND2 3.48Å; F254-N258 VanDerWaalsContact CE2-ND2 3.29Å; F254-N258 WeakPolarHBondContact CE2-ND2 3.34Å; F254-N258 WeakPolarHBondContact O-CB 3.38Å; F254-N258 PolarHBondContact O-N 3.37Å; F254-N258 VanDerWaalsContact O-N 3.08Å; F254-N258 PolarHBondContact O-ND2 2.94Å; F254-I263 HydrophobicContact CD1-CD1 3.8Å; F254-I263 HydrophobicContact CD1-CG1 3.96Å; F254-I263 HydrophobicContact CE1-CD1 4.33Å; F254-I263 HydrophobicContact CE1-CG1 4.06Å
255	C	97.6	Very high	97.7	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.007	19%	0.186	C	C	.	.	H	α-helix	trans	-60.9	-50.1	179	-71.9	0	0	0	0	111.5	A251 E252 R259 I260	A251-C255 WeakPolarHBondContact O-CB 3.24Å; A251-C255 PolarHBondContact O-N 2.88Å; A251-C255 PolarHBondContact O-SG 3.46Å; E252-C255 PolarHBondContact O-N 3.45Å; C255-R259 WeakPolarHBondContact O-CA 3.35Å; C255-R259 PolarHBondContact O-N 3.22Å; C255-I260 CarbonylContact C-O 3.56Å; C255-I260 VanDerWaalsContact CB-O 3.26Å; C255-I260 WeakPolarHBondContact CB-O 3.03Å; C255-I260 PolarHBondContact O-N 3.12Å
256	L	96.5	Very high	97.7	Very high	110 Å²	110	37 Å²	37	58%	0.576	18%	0.182	S	C	*	.	H	α-helix	trans	-60.7	-48.4	178.6	-70.7	173.7	0	0	0	112.1	E252 N258 R259	E252-L256 HydrophobicContact CG-CD1 3.98Å; E252-L256 HydrophobicContact CG-CG 4.41Å; E252-L256 WeakPolarHBondContact O-CB 3.15Å; E252-L256 WeakPolarHBondContact O-CG 3.48Å; E252-L256 PolarHBondContact O-N 2.72Å; L256-N258 PolarHBondContact O-N 2.99Å; L256-R259 PolarHBondContact O-N 3.46Å
257	R	96.7	Very high	97.6	Very high	107 Å²	107	37.8 Å²	37.8	40%	0.404	19%	0.185	S	C	.	.	H	α-helix	trans	-62.1	-42.4	-177.3	179.5	174.3	59.9	-167	-1.9	112.3	L199 T200 L253	L199-R257 PolarHBondContact O-NH2 3.09Å; T200-R257 VanDerWaalsContact O-CD 3.27Å; T200-R257 WeakPolarHBondContact O-CD 3.44Å; T200-R257 PolarHBondContact O-NE 3.46Å; L253-R257 WeakPolarHBondContact O-CB 3.37Å; L253-R257 PolarHBondContact O-N 3.22Å
258	N	96.7	Very high	97.6	Very high	19 Å²	19	40.1 Å²	40.1	10%	0.102	20%	0.196	C	C	.	.	H	α-helix	trans	-95.5	6	-176.1	-63.1	-76	0	0	0	113.4	L202 F254 L256 I260	L202-N258 HydrophobicContact CD1-CB 4.25Å; L202-N258 HydrophobicContact CG-CB 4.31Å; F254-N258 VanDerWaalsContact CD2-ND2 3.32Å; F254-N258 WeakPolarHBondContact CD2-ND2 3.48Å; F254-N258 VanDerWaalsContact CE2-ND2 3.29Å; F254-N258 WeakPolarHBondContact CE2-ND2 3.34Å; F254-N258 WeakPolarHBondContact O-CB 3.38Å; F254-N258 PolarHBondContact O-N 3.37Å; F254-N258 VanDerWaalsContact O-N 3.08Å; F254-N258 PolarHBondContact O-ND2 2.94Å; L256-N258 PolarHBondContact O-N 2.99Å; N258-I260 HydrophobicContact CB-CG1 3.98Å; N258-I260 PolarHBondContact O-N 3.07Å
259	R	96.5	Very high	97.4	Very high	223 Å²	223	41.7 Å²	41.7	84%	0.842	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.3	37.3	-176.7	-53.5	178.2	-176.5	168.7	1.5	113	C255 L256	C255-R259 WeakPolarHBondContact O-CA 3.35Å; C255-R259 PolarHBondContact O-N 3.22Å; L256-R259 PolarHBondContact O-N 3.46Å
260	I	97	Very high	97.2	Very high	9 Å²	9	39.9 Å²	39.9	5%	0.046	19%	0.189	C	C	.	.			trans	-97.9	140.9	176.6	-64.5	-60.9	0	0	0	108.7	I183 T187 F189 C255 N258 M262	I183-I260 HydrophobicContact CD1-CD1 4.03Å; T187-I260 WeakPolarHBondContact O-CG2 3.3Å; F189-I260 HydrophobicContact CB-CD1 4.34Å; F189-I260 HydrophobicContact CB-CG1 4.16Å; F189-I260 HydrophobicContact CB-CG2 3.83Å; C255-I260 CarbonylContact C-O 3.56Å; C255-I260 VanDerWaalsContact CB-O 3.26Å; C255-I260 WeakPolarHBondContact CB-O 3.03Å; C255-I260 PolarHBondContact O-N 3.12Å; N258-I260 HydrophobicContact CB-CG1 3.98Å; N258-I260 PolarHBondContact O-N 3.07Å; I260-M262 WeakPolarHBondContact CG2-O 3.4Å
261	S	96.2	Very high	96.8	Very high	52 Å²	52	46.9 Å²	46.9	36%	0.364	22%	0.219	S	C	.	.	S	Bend	trans	-82.8	-40.2	176.6	64.5	0	0	0	0	112.2	T187 R281	T187-S261 PolarHBondContact O-N 3.39Å; T187-S261 PolarHBondContact O-OG 3.35Å; S261-R281 WeakPolarHBondContact O-CD 3.42Å; S261-R281 PolarHBondContact O-NH1 3.33Å
262	M	97.7	Very high	96.5	Very high	25 Å²	25	49.8 Å²	49.8	12%	0.123	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	144.1	-174.6	-176.1	-175.3	-67.6	0	0	111.2	L188 F189 I260 V264 F276 G280 R281 L283	L188-M262 WeakPolarHBondContact CA-O 3.43Å; L188-M262 HydrophobicContact CD2-CB 3.99Å; F189-M262 PolarHBondContact N-O 3.1Å; I260-M262 WeakPolarHBondContact CG2-O 3.4Å; M262-V264 HydrophobicContact CG-CG2 4.4Å; M262-V264 HydrophobicContact SD-CG2 4.26Å; M262-F276 HydrophobicContact CE-CD1 4.16Å; M262-F276 HydrophobicContact CE-CE1 3.69Å; M262-F276 HydrophobicContact SD-CE1 4.03Å; M262-G280 WeakPolarHBondContact CE-O 3.43Å; M262-R281 CarbonylContact C-O 3.41Å; M262-R281 WeakPolarHBondContact CA-O 3.32Å; M262-R281 WeakPolarHBondContact CG-O 3.34Å; M262-L283 HydrophobicContact CG-CB 4.39Å; M262-L283 HydrophobicContact SD-CB 3.65Å; M262-L283 HydrophobicContact SD-CD2 4.31Å
263	I	98.7	Very high	96.2	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	122.8	166.8	-60.3	159	0	0	0	107.5	F189 I195 A251 F254 R265 R281 V282 L283	F189-I263 HydrophobicContact CD1-CG1 4.39Å; F189-I263 HydrophobicContact CD1-CG2 4.24Å; F189-I263 CarbonylContact O-C 3.44Å; F189-I263 VanDerWaalsContact O-CA 3.3Å; F189-I263 WeakPolarHBondContact O-CA 3.47Å; I195-I263 HydrophobicContact CD1-CD1 4.35Å; I195-I263 HydrophobicContact CG2-CD1 3.74Å; I195-I263 HydrophobicContact CG2-CG1 4.37Å; A251-I263 HydrophobicContact CB-CD1 4.27Å; F254-I263 HydrophobicContact CD1-CD1 3.8Å; F254-I263 HydrophobicContact CD1-CG1 3.96Å; F254-I263 HydrophobicContact CE1-CD1 4.33Å; F254-I263 HydrophobicContact CE1-CG1 4.06Å; I263-R265 HydrophobicContact CG2-CB 4.41Å; I263-R281 PolarHBondContact N-O 2.95Å; I263-V282 HydrophobicContact CB-CG2 4.24Å; I263-V282 HydrophobicContact CD1-CG2 4.11Å; I263-V282 CarbonylContact O-C 3.38Å; I263-V282 VanDerWaalsContact O-CA 3.3Å; I263-V282 WeakPolarHBondContact O-CA 3.31Å; I263-L283 PolarHBondContact O-N 3.22Å
264	V	98.7	Very high	96.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	118.6	173.3	-173.2	0	0	0	0	108.1	I80 L109 L188 F189 C190 V191 M262 L283 L285 F304	I80-V264 HydrophobicContact CD1-CB 4.46Å; I80-V264 HydrophobicContact CD1-CG1 4.16Å; I80-V264 HydrophobicContact CD1-CG2 4.49Å; I80-V264 HydrophobicContact CG2-CG1 3.96Å; L109-V264 HydrophobicContact CD1-CG1 4.41Å; L188-V264 HydrophobicContact CB-CG2 4.37Å; L188-V264 HydrophobicContact CD1-CG2 4.34Å; F189-V264 PolarHBondContact O-N 2.82Å; C190-V264 VanDerWaalsContact CA-O 3.25Å; C190-V264 WeakPolarHBondContact CA-O 3.41Å; V191-V264 PolarHBondContact N-O 3.39Å; M262-V264 HydrophobicContact CG-CG2 4.4Å; M262-V264 HydrophobicContact SD-CG2 4.26Å; V264-L283 CarbonylContact C-O 3.6Å; V264-L283 WeakPolarHBondContact CA-O 3.2Å; V264-L283 HydrophobicContact CG1-CD2 4.16Å; V264-L283 HydrophobicContact CG1-CG 4.39Å; V264-L283 HydrophobicContact CG2-CB 4.48Å; V264-L283 HydrophobicContact CG2-CD2 4.45Å; V264-L285 HydrophobicContact CG1-CD1 3.74Å; V264-L285 HydrophobicContact CG1-CG 4.22Å; V264-F304 HydrophobicContact CG2-CE2 4.42Å; V264-F304 HydrophobicContact CG2-CZ 3.96Å
265	R	98.7	Very high	96	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	170.4	-172.1	69.7	84.8	56.4	158.2	6.1	113.6	V191 G193 S226 D227 I263 V282 L283 T284 L285	V191-R265 HydrophobicContact CG1-CB 4.37Å; V191-R265 WeakPolarHBondContact O-CA 3.44Å; G193-R265 VanDerWaalsContact C-NH2 3.3Å; G193-R265 WeakPolarHBondContact O-CB 3.38Å; G193-R265 PolarHBondContact O-NE 2.99Å; G193-R265 PolarHBondContact O-NH2 2.83Å; S226-R265 PolarHBondContact O-NH2 3.22Å; D227-R265 IonicContact OD1-CZ 2.86Å; D227-R265 VanDerWaalsContact OD1-CZ 3.26Å; D227-R265 IonicContact OD1-NH1 2.9Å; D227-R265 PolarHBondContact OD1-NH1 2.8Å; D227-R265 IonicContact OD1-NH2 3.7Å; D227-R265 PolarHBondContact OD1-NH2 3.12Å; I263-R265 HydrophobicContact CG2-CB 4.41Å; R265-V282 HydrophobicContact CG-CG1 3.79Å; R265-L283 PolarHBondContact N-O 3.03Å; R265-T284 WeakPolarHBondContact CD-OG1 3.46Å; R265-T284 CarbonylContact O-C 3.25Å; R265-T284 WeakPolarHBondContact O-CA 3.41Å; R265-L285 PolarHBondContact O-N 3.16Å
266	S	98.3	Very high	95.9	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	24%	0.242	C	C	.	.			trans	-127.8	-128.1	178.3	59.2	0	0	0	0	112.6	D83 L109 H192 Q268 L285	D83-S266 WeakPolarHBondContact OD1-CB 3.36Å; D83-S266 PolarHBondContact OD1-OG 3.49Å; D83-S266 VanDerWaalsContact OD1-OG 3.07Å; L109-S266 WeakPolarHBondContact CB-OG 3.46Å; H192-S266 PolarHBondContact ND1-OG 3.45Å; H192-S266 CarbonylContact O-C 3.17Å; H192-S266 PolarHBondContact O-N 2.87Å; H192-S266 PolarHBondContact O-OG 3.48Å; S266-Q268 PolarHBondContact O-N 2.77Å; S266-L285 WeakPolarHBondContact CA-O 3.28Å; S266-L285 WeakPolarHBondContact CB-O 3.3Å
267	H	97.8	Very high	95.8	Very high	16 Å²	16	48.4 Å²	48.4	7%	0.074	22%	0.218	C	C	.	.	S	Bend	trans	66.8	-28.1	169.2	-169.7	63.6	0	0	0	118.3	D83 N143 H192 W225 D227 R240	D83-H267 PolarHBondContact OD1-N 3.33Å; D83-H267 WeakPolarHBondContact OD2-CA 3.33Å; N143-H267 PolarHBondContact OD1-CE1 2.84Å; N143-H267 PolarHBondContact OD1-ND1 2.9Å; H192-H267 AromaticContact CD2-ND1 3.9Å; H192-H267 AromaticContact NE2-CG 3.84Å; H192-H267 AromaticContact NE2-ND1 3.3Å; H192-H267 PolarHBondContact NE2-ND1 3.23Å; W225-H267 AromaticContact CE3-CE1 3.81Å; W225-H267 AromaticContact CE3-NE2 3.86Å; D227-H267 IonicContact OD1-CD2 2.76Å; D227-H267 PolarHBondContact OD1-CD2 3.49Å; R240-H267 PolarHBondContact NE-NE2 3.14Å; R240-H267 PolarHBondContact NH1-NE2 2.72Å; R240-H267 PolarHBondContact NH2-NE2 2.9Å
268	Q	96.7	Very high	95.8	Very high	50 Å²	50	43.3 Å²	43.3	23%	0.234	20%	0.199	C	C	.	.	S	Bend	trans	-104.6	129.2	173.6	-83.1	172.5	-37.2	0	0	110.5	D227 S266 V270 T284 F286	D227-Q268 VanDerWaalsContact CG-NE2 3.35Å; D227-Q268 VanDerWaalsContact OD1-CD 3.25Å; D227-Q268 VanDerWaalsContact OD1-CG 3.25Å; D227-Q268 WeakPolarHBondContact OD1-CG 3.39Å; S266-Q268 PolarHBondContact O-N 2.77Å; Q268-V270 PolarHBondContact O-N 2.69Å; Q268-T284 HydrophobicContact CB-CG2 4.01Å; Q268-F286 WeakPolarHBondContact O-CD2 3.12Å
269	V	94	Very high	95.6	Very high	53 Å²	53	49.3 Å²	49.3	32%	0.321	23%	0.231	S	C	.	.			trans	-67.3	121.3	168.8	-173.4	0	0	0	0	108.3	F286 Y291 E295 N297	V269-F286 HydrophobicContact CB-CD2 4.49Å; V269-F286 HydrophobicContact CB-CE2 4.39Å; V269-F286 HydrophobicContact CB-CZ 4.48Å; V269-F286 HydrophobicContact CG1-CD1 4.38Å; V269-F286 HydrophobicContact CG1-CE1 4.42Å; V269-F286 HydrophobicContact CG2-CD2 4.28Å; V269-F286 HydrophobicContact CG2-CE1 4.05Å; V269-F286 HydrophobicContact CG2-CE2 3.71Å; V269-F286 HydrophobicContact CG2-CZ 3.59Å; V269-Y291 HydrophobicContact CG2-CD1 3.42Å; V269-Y291 VanDerWaalsContact CG2-CD1 3.42Å; V269-Y291 HydrophobicContact CG2-CE1 3.89Å; V269-Y291 HydrophobicContact CG2-CG 3.88Å; V269-E295 HydrophobicContact CG1-CB 4.4Å; V269-E295 HydrophobicContact CG1-CG 4.25Å; V269-N297 HydrophobicContact CG1-CB 3.65Å; V269-N297 VanDerWaalsContact CG1-CG 3.47Å
270	V	93.7	Very high	95.5	Very high	8 Å²	8	40.2 Å²	40.2	5%	0.048	21%	0.207	C	C	.	.			trans	-118.4	141.2	175.6	-69.6	0	0	0	0	109.8	Q268 E272 G273 E275 T284 F286	Q268-V270 PolarHBondContact O-N 2.69Å; V270-E272 VanDerWaalsContact C-N 3.33Å; V270-E272 PolarHBondContact O-N 3.38Å; V270-G273 VanDerWaalsContact CG2-C 3.48Å; V270-G273 PolarHBondContact O-N 3.49Å; V270-E275 HydrophobicContact CB-CB 4.02Å; V270-E275 HydrophobicContact CG1-CB 3.76Å; V270-E275 HydrophobicContact CG2-CB 4.42Å; V270-T284 HydrophobicContact CG1-CG2 3.65Å; V270-T284 HydrophobicContact CG2-CG2 4.31Å; V270-F286 HydrophobicContact CG2-CB 4.21Å
271	K	91.2	Very high	95.5	Very high	152 Å²	152	42.9 Å²	42.9	66%	0.661	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	-45.4	-166.7	-175.6	-174.1	171.6	-170.1	0	113.4	G273 N297 C298	K271-G273 VanDerWaalsContact C-N 3.33Å; K271-N297 CarbonylContact O-C 3.5Å; K271-N297 WeakPolarHBondContact O-CA 3.35Å; K271-C298 PolarHBondContact O-N 3.45Å
272	E	90.7	Very high	95.6	Very high	61 Å²	61	40.4 Å²	40.4	29%	0.285	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	6.6	-175.9	-53.6	-58.8	138.3	0	0	112.6	V270 Y274 K315	V270-E272 VanDerWaalsContact C-N 3.33Å; V270-E272 PolarHBondContact O-N 3.38Å; E272-Y274 HydrophobicContact CB-CD1 4.39Å; E272-Y274 HydrophobicContact CB-CE1 4.21Å; E272-Y274 WeakPolarHBondContact O-CD1 3.13Å; E272-Y274 PolarHBondContact O-N 2.76Å; E272-K315 WeakPolarHBondContact OE2-CE 3.48Å; E272-K315 IonicContact OE2-NZ 3.36Å; E272-K315 PolarHBondContact OE2-NZ 3.17Å
273	G	92.3	Very high	95.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	79.9	-11.6	-173.7	0	0	0	0	0	114.5	V270 K271 L285 F286 C298	V270-G273 VanDerWaalsContact CG2-C 3.48Å; V270-G273 PolarHBondContact O-N 3.49Å; K271-G273 VanDerWaalsContact C-N 3.33Å; G273-L285 CarbonylContact O-C 3.59Å; G273-L285 WeakPolarHBondContact O-CA 3.47Å; G273-F286 PolarHBondContact O-N 3.01Å; G273-C298 VanDerWaalsContact CA-O 3.25Å; G273-C298 WeakPolarHBondContact CA-O 3.35Å; G273-C298 PolarHBondContact N-O 2.77Å
274	Y	94.6	Very high	95.6	Very high	44 Å²	44	39.2 Å²	39.2	17%	0.173	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	152.4	170.2	70.1	-78.6	0	0	0	110.9	E272 F276 T284 A300 V311	E272-Y274 HydrophobicContact CB-CD1 4.39Å; E272-Y274 HydrophobicContact CB-CE1 4.21Å; E272-Y274 WeakPolarHBondContact O-CD1 3.13Å; E272-Y274 PolarHBondContact O-N 2.76Å; Y274-F276 HydrophobicContact CD2-CD2 4.43Å; Y274-F276 HydrophobicContact CD2-CE2 4.1Å; Y274-F276 HydrophobicContact CE2-CE2 4.26Å; Y274-T284 CarbonylContact C-O 3.51Å; Y274-T284 WeakPolarHBondContact CA-O 3.36Å; Y274-A300 HydrophobicContact CD1-CB 3.82Å; Y274-A300 HydrophobicContact CG-CB 4.41Å; Y274-V311 HydrophobicContact CD1-CG1 3.79Å; Y274-V311 HydrophobicContact CE1-CG1 3.78Å; Y274-V311 HydrophobicContact CG-CG1 4.37Å
275	E	95.5	Very high	95.6	Very high	97 Å²	97	39.2 Å²	39.2	45%	0.453	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	133.7	174.8	-174.6	173.4	-115.7	0	0	110.9	V270 L283 T284	V270-E275 HydrophobicContact CB-CB 4.02Å; V270-E275 HydrophobicContact CG1-CB 3.76Å; V270-E275 HydrophobicContact CG2-CB 4.42Å; E275-L283 WeakPolarHBondContact O-CA 3.45Å; E275-T284 PolarHBondContact N-O 3.46Å; E275-T284 PolarHBondContact O-N 3.31Å
276	F	95.9	Very high	95.4	Very high	84 Å²	84	39.3 Å²	39.3	37%	0.368	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	127.9	169.2	-67.6	-84.8	0	0	0	109.5	M262 Y274 V282 L283 I309	M262-F276 HydrophobicContact CE-CD1 4.16Å; M262-F276 HydrophobicContact CE-CE1 3.69Å; M262-F276 HydrophobicContact SD-CE1 4.03Å; Y274-F276 HydrophobicContact CD2-CD2 4.43Å; Y274-F276 HydrophobicContact CD2-CE2 4.1Å; Y274-F276 HydrophobicContact CE2-CE2 4.26Å; F276-V282 WeakPolarHBondContact CA-O 3.27Å; F276-L283 HydrophobicContact CD1-CB 4.18Å; F276-L283 HydrophobicContact CD1-CD1 4.09Å; F276-L283 HydrophobicContact CD2-CD1 4.32Å; F276-L283 HydrophobicContact CE1-CB 4Å; F276-L283 HydrophobicContact CE1-CD1 3.79Å; F276-L283 HydrophobicContact CE1-CD2 4.23Å; F276-L283 HydrophobicContact CE1-CG 4.22Å; F276-L283 HydrophobicContact CE2-CD1 4.03Å; F276-L283 HydrophobicContact CG-CD1 4.35Å; F276-L283 HydrophobicContact CZ-CD1 3.75Å; F276-L283 HydrophobicContact CZ-CD2 4.32Å; F276-L283 HydrophobicContact CZ-CG 4.48Å; F276-I309 HydrophobicContact CE1-CD1 4.49Å; F276-I309 HydrophobicContact CZ-CD1 3.7Å
277	N	94.7	Very high	95	Very high	17 Å²	17	39.3 Å²	39.3	9%	0.091	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	-178.4	175.9	71.5	62.1	0	0	0	110.1	P228 E230 N279 G280 R281 V282 T284	P228-N277 VanDerWaalsContact CB-OD1 3.26Å; P228-N277 WeakPolarHBondContact CB-OD1 3.38Å; P228-N277 WeakPolarHBondContact CG-ND2 3.48Å; E230-N277 VanDerWaalsContact OE1-CB 3.3Å; E230-N277 WeakPolarHBondContact OE1-CB 3.39Å; N277-N279 PolarHBondContact O-N 3.18Å; N277-G280 WeakPolarHBondContact O-CA 3.22Å; N277-G280 PolarHBondContact O-N 3.3Å; N277-R281 PolarHBondContact O-N 2.68Å; N277-V282 PolarHBondContact N-O 3.15Å; N277-V282 PolarHBondContact O-N 3.19Å; N277-V282 VanDerWaalsContact OD1-CB 3.23Å; N277-V282 WeakPolarHBondContact OD1-CB 3.34Å; N277-T284 PolarHBondContact ND2-OG1 3.25Å
278	S	96.3	Very high	94.5	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	54.9	49.5	-179.1	-57.7	0	0	0	0	112.2	E230 G280 R281	E230-S278 PolarHBondContact OE1-N 3.01Å; S278-G280 PolarHBondContact O-N 2.83Å; S278-R281 VanDerWaalsContact O-CB 3.25Å; S278-R281 WeakPolarHBondContact O-CB 3.24Å; S278-R281 WeakPolarHBondContact O-CG 3.34Å; S278-R281 PolarHBondContact O-N 3.35Å
279	N	93.2	Very high	94	Very high	145 Å²	145	37.8 Å²	37.8	78%	0.775	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	55.6	32.6	-174.4	-56.9	-50.4	0	0	0	114	N277 R281	N277-N279 PolarHBondContact O-N 3.18Å; N279-R281 VanDerWaalsContact C-N 3.33Å
280	G	94.4	Very high	93.4	Very high	32 Å²	32	42.5 Å²	42.5	33%	0.33	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	82.6	5.4	-178.3	0	0	0	0	0	114.4	M262 N277 S278 V282	M262-G280 WeakPolarHBondContact CE-O 3.43Å; N277-G280 WeakPolarHBondContact O-CA 3.22Å; N277-G280 PolarHBondContact O-N 3.3Å; S278-G280 PolarHBondContact O-N 2.83Å; G280-V282 VanDerWaalsContact C-N 3.33Å
281	R	96.8	Very high	92.9	Very high	64 Å²	64	43.1 Å²	43.1	24%	0.242	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-18.3	174.8	-68	-59.4	-167	178.5	2.8	113.8	A251 E252 S261 M262 I263 N277 S278 N279	A251-R281 HydrophobicContact CB-CB 4.38Å; E252-R281 IonicContact OE1-CZ 3.08Å; E252-R281 IonicContact OE1-NE 3.12Å; E252-R281 IonicContact OE1-NH2 2.89Å; E252-R281 PolarHBondContact OE1-NH2 3.11Å; E252-R281 VanDerWaalsContact OE2-CG 3.31Å; E252-R281 WeakPolarHBondContact OE2-CG 3.29Å; E252-R281 IonicContact OE2-CZ 3.65Å; E252-R281 IonicContact OE2-NE 3.79Å; E252-R281 PolarHBondContact OE2-NE 3.19Å; E252-R281 IonicContact OE2-NH2 3.63Å; E252-R281 PolarHBondContact OE2-NH2 3.24Å; S261-R281 WeakPolarHBondContact O-CD 3.42Å; S261-R281 PolarHBondContact O-NH1 3.33Å; M262-R281 CarbonylContact C-O 3.41Å; M262-R281 WeakPolarHBondContact CA-O 3.32Å; M262-R281 WeakPolarHBondContact CG-O 3.34Å; I263-R281 PolarHBondContact N-O 2.95Å; N277-R281 PolarHBondContact O-N 2.68Å; S278-R281 VanDerWaalsContact O-CB 3.25Å; S278-R281 WeakPolarHBondContact O-CB 3.24Å; S278-R281 WeakPolarHBondContact O-CG 3.34Å; S278-R281 PolarHBondContact O-N 3.35Å; N279-R281 VanDerWaalsContact C-N 3.33Å
282	V	98.4	Very high	92.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	128.5	-179.1	-177.5	0	0	0	0	109.1	P228 Y246 A251 I263 R265 F276 N277 G280	P228-V282 HydrophobicContact CB-CG1 4.37Å; P228-V282 HydrophobicContact CG-CG1 4.16Å; Y246-V282 HydrophobicContact CE2-CG2 4.11Å; A251-V282 HydrophobicContact CB-CG2 3.94Å; I263-V282 HydrophobicContact CB-CG2 4.24Å; I263-V282 HydrophobicContact CD1-CG2 4.11Å; I263-V282 CarbonylContact O-C 3.38Å; I263-V282 VanDerWaalsContact O-CA 3.3Å; I263-V282 WeakPolarHBondContact O-CA 3.31Å; R265-V282 HydrophobicContact CG-CG1 3.79Å; F276-V282 WeakPolarHBondContact CA-O 3.27Å; N277-V282 PolarHBondContact N-O 3.15Å; N277-V282 PolarHBondContact O-N 3.19Å; N277-V282 VanDerWaalsContact OD1-CB 3.23Å; N277-V282 WeakPolarHBondContact OD1-CB 3.34Å; G280-V282 VanDerWaalsContact C-N 3.33Å
283	L	98.2	Very high	91.7	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	114.2	169	171.9	61.1	0	0	0	108.6	M262 I263 V264 R265 E275 F276 L285 V302 F304	M262-L283 HydrophobicContact CG-CB 4.39Å; M262-L283 HydrophobicContact SD-CB 3.65Å; M262-L283 HydrophobicContact SD-CD2 4.31Å; I263-L283 PolarHBondContact O-N 3.22Å; V264-L283 CarbonylContact C-O 3.6Å; V264-L283 WeakPolarHBondContact CA-O 3.2Å; V264-L283 HydrophobicContact CG1-CD2 4.16Å; V264-L283 HydrophobicContact CG1-CG 4.39Å; V264-L283 HydrophobicContact CG2-CB 4.48Å; V264-L283 HydrophobicContact CG2-CD2 4.45Å; R265-L283 PolarHBondContact N-O 3.03Å; E275-L283 WeakPolarHBondContact O-CA 3.45Å; F276-L283 HydrophobicContact CD1-CB 4.18Å; F276-L283 HydrophobicContact CD1-CD1 4.09Å; F276-L283 HydrophobicContact CD2-CD1 4.32Å; F276-L283 HydrophobicContact CE1-CB 4Å; F276-L283 HydrophobicContact CE1-CD1 3.79Å; F276-L283 HydrophobicContact CE1-CD2 4.23Å; F276-L283 HydrophobicContact CE1-CG 4.22Å; F276-L283 HydrophobicContact CE2-CD1 4.03Å; F276-L283 HydrophobicContact CG-CD1 4.35Å; F276-L283 HydrophobicContact CZ-CD1 3.75Å; F276-L283 HydrophobicContact CZ-CD2 4.32Å; F276-L283 HydrophobicContact CZ-CG 4.48Å; L283-L285 HydrophobicContact CD1-CD2 3.87Å; L283-L285 HydrophobicContact CD2-CD2 3.97Å; L283-L285 HydrophobicContact CD2-CG 4.43Å; L283-L285 HydrophobicContact CG-CD2 3.78Å; L283-L285 HydrophobicContact CG-CG 4.16Å; L283-V302 HydrophobicContact CD2-CB 4.48Å; L283-V302 HydrophobicContact CD2-CG1 4.3Å; L283-V302 HydrophobicContact CD2-CG2 4.37Å; L283-F304 HydrophobicContact CD2-CE2 4.28Å; L283-F304 HydrophobicContact CD2-CZ 3.71Å
284	T	98.1	Very high	90.9	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	133.1	171.1	-59.5	0	0	0	0	109.3	R265 Q268 V270 Y274 E275 N277	R265-T284 WeakPolarHBondContact CD-OG1 3.46Å; R265-T284 CarbonylContact O-C 3.25Å; R265-T284 WeakPolarHBondContact O-CA 3.41Å; Q268-T284 HydrophobicContact CB-CG2 4.01Å; V270-T284 HydrophobicContact CG1-CG2 3.65Å; V270-T284 HydrophobicContact CG2-CG2 4.31Å; Y274-T284 CarbonylContact C-O 3.51Å; Y274-T284 WeakPolarHBondContact CA-O 3.36Å; E275-T284 PolarHBondContact N-O 3.46Å; E275-T284 PolarHBondContact O-N 3.31Å; N277-T284 PolarHBondContact ND2-OG1 3.25Å
285	L	97.1	Very high	90.3	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	144.4	178.4	-59.8	-177.4	0	0	0	111.3	I80 V264 R265 S266 G273 L283 V302	I80-L285 HydrophobicContact CB-CD1 4.04Å; I80-L285 HydrophobicContact CG2-CD1 3.85Å; V264-L285 HydrophobicContact CG1-CD1 3.74Å; V264-L285 HydrophobicContact CG1-CG 4.22Å; R265-L285 PolarHBondContact O-N 3.16Å; S266-L285 WeakPolarHBondContact CA-O 3.28Å; S266-L285 WeakPolarHBondContact CB-O 3.3Å; G273-L285 CarbonylContact O-C 3.59Å; G273-L285 WeakPolarHBondContact O-CA 3.47Å; L283-L285 HydrophobicContact CD1-CD2 3.87Å; L283-L285 HydrophobicContact CD2-CD2 3.97Å; L283-L285 HydrophobicContact CD2-CG 4.43Å; L283-L285 HydrophobicContact CG-CD2 3.78Å; L283-L285 HydrophobicContact CG-CG 4.16Å; L285-V302 HydrophobicContact CD1-CB 4.38Å; L285-V302 HydrophobicContact CD1-CG2 4.39Å; L285-V302 HydrophobicContact CD2-CB 4.27Å; L285-V302 HydrophobicContact CD2-CG2 3.44Å; L285-V302 VanDerWaalsContact CD2-CG2 3.44Å
286	F	95.2	Very high	89.7	Confident	1 Å²	1	51.2 Å²	51.2	0%	0.004	28%	0.279	C	S	.	.			trans	-135.3	125.5	173.8	-154.1	-98.9	0	0	0	110.7	D83 Q268 V269 V270 G273 I288 Y291 S299 A300	D83-F286 HydrophobicContact CB-CD2 4.11Å; D83-F286 HydrophobicContact CB-CE2 3.66Å; D83-F286 HydrophobicContact CB-CZ 4Å; D83-F286 VanDerWaalsContact OD2-CE2 3.25Å; D83-F286 WeakPolarHBondContact OD2-CE2 3.41Å; Q268-F286 WeakPolarHBondContact O-CD2 3.12Å; V269-F286 HydrophobicContact CB-CD2 4.49Å; V269-F286 HydrophobicContact CB-CE2 4.39Å; V269-F286 HydrophobicContact CB-CZ 4.48Å; V269-F286 HydrophobicContact CG1-CD1 4.38Å; V269-F286 HydrophobicContact CG1-CE1 4.42Å; V269-F286 HydrophobicContact CG2-CD2 4.28Å; V269-F286 HydrophobicContact CG2-CE1 4.05Å; V269-F286 HydrophobicContact CG2-CE2 3.71Å; V269-F286 HydrophobicContact CG2-CZ 3.59Å; V270-F286 HydrophobicContact CG2-CB 4.21Å; G273-F286 PolarHBondContact O-N 3.01Å; F286-I288 HydrophobicContact CD1-CG1 4.4Å; F286-I288 WeakPolarHBondContact CD1-O 3.27Å; F286-I288 HydrophobicContact CE1-CG1 3.69Å; F286-I288 HydrophobicContact CZ-CG1 4.47Å; F286-Y291 AromaticContact CE1-CD2 3.65Å; F286-Y291 HydrophobicContact CE1-CD2 3.65Å; F286-Y291 HydrophobicContact CE1-CE2 4.39Å; F286-Y291 AromaticContact CE1-CG 3.83Å; F286-Y291 HydrophobicContact CE1-CG 3.83Å; F286-Y291 HydrophobicContact CZ-CD1 4.3Å; F286-Y291 AromaticContact CZ-CD2 3.46Å; F286-Y291 HydrophobicContact CZ-CD2 3.46Å; F286-Y291 VanDerWaalsContact CZ-CD2 3.46Å; F286-Y291 HydrophobicContact CZ-CE1 4.49Å; F286-Y291 AromaticContact CZ-CE2 3.76Å; F286-Y291 HydrophobicContact CZ-CE2 3.76Å; F286-Y291 AromaticContact CZ-CG 3.75Å; F286-Y291 HydrophobicContact CZ-CG 3.75Å; F286-S299 WeakPolarHBondContact O-CA 3.13Å; F286-S299 VanDerWaalsContact O-CB 3.23Å; F286-S299 WeakPolarHBondContact O-CB 3.5Å; F286-A300 PolarHBondContact O-N 2.77Å
287	G	89.9	Confident	89.4	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.263	C	S	.	.			trans	-86.6	-15.3	-165.5	0	0	0	0	0	115.5	D83 S299	D83-G287 CarbonylContact O-C 3.55Å; D83-G287 WeakPolarHBondContact O-CA 3.44Å; D83-G287 PolarHBondContact O-N 3.02Å; G287-S299 VanDerWaalsContact O-CB 3.24Å; G287-S299 WeakPolarHBondContact O-CB 3.04Å
288	I	88.5	Confident	89	Confident	9 Å²	9	48.1 Å²	48.1	5%	0.046	27%	0.268	C	S	.	.			trans	-124.8	138.1	-177.3	72.6	177.6	0	0	0	114.4	D83 I84 H85 N87 A90 F286 Y291 N297 S299	D83-I288 PolarHBondContact O-N 3.01Å; I84-I288 HydrophobicContact CD1-CG2 4.43Å; I84-I288 WeakPolarHBondContact O-CG2 3.18Å; H85-I288 HydrophobicContact CB-CD1 4.18Å; N87-I288 HydrophobicContact CB-CD1 4.26Å; N87-I288 HydrophobicContact CB-CG2 4.02Å; A90-I288 HydrophobicContact CB-CB 4.35Å; A90-I288 HydrophobicContact CB-CG2 3.75Å; F286-I288 HydrophobicContact CD1-CG1 4.4Å; F286-I288 WeakPolarHBondContact CD1-O 3.27Å; F286-I288 HydrophobicContact CE1-CG1 3.69Å; F286-I288 HydrophobicContact CZ-CG1 4.47Å; I288-Y291 HydrophobicContact CD1-CD2 3.8Å; I288-Y291 HydrophobicContact CD1-CE2 4.35Å; I288-Y291 HydrophobicContact CG1-CD2 4.03Å; I288-N297 PolarHBondContact O-ND2 3.26Å; I288-S299 VanDerWaalsContact C-CB 3.46Å
289	P	84.6	Confident	88.6	Confident	25 Å²	25	48.1 Å²	48.1	16%	0.162	27%	0.268	C	S	.	.	S	Bend	trans	-79.3	158.5	175.2	34.6	-32.7	0	0	0	109.9	Y291 N297 S299 F322	P289-Y291 VanDerWaalsContact C-N 3.34Å; P289-Y291 PolarHBondContact O-N 3.35Å; P289-N297 WeakPolarHBondContact CA-O 3.44Å; P289-S299 WeakPolarHBondContact CD-OG 3.26Å; P289-F322 HydrophobicContact CG-CE2 4.31Å; P289-F322 HydrophobicContact CG-CZ 3.87Å
290	R	82.8	Confident	88.4	Confident	152 Å²	152	41.2 Å²	41.2	57%	0.574	23%	0.231	S	C	*	.	S	Bend	trans	47.3	54.2	177.3	-59.3	-178.8	-178.6	-178.4	-1	112.9	C292 G293 E295 N297	R290-C292 PolarHBondContact O-N 3Å; R290-G293 WeakPolarHBondContact O-CA 3.45Å; R290-G293 PolarHBondContact O-N 2.99Å; R290-E295 VanDerWaalsContact CA-O 3.3Å; R290-E295 WeakPolarHBondContact CA-O 3.34Å; R290-N297 PolarHBondContact N-O 3.45Å; R290-N297 PolarHBondContact N-OD1 2.95Å
291	Y	83.4	Confident	88.3	Confident	21 Å²	21	40.1 Å²	40.1	8%	0.082	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-48.7	131.5	-176	-178.1	-120.3	0	0	0	112.4	H85 R115 V269 F286 I288 P289 G293 K294 E295 N297	H85-Y291 HydrophobicContact CB-CE2 4.23Å; H85-Y291 AromaticContact CD2-CE2 3.27Å; H85-Y291 WeakPolarHBondContact CD2-CE2 3.41Å; H85-Y291 AromaticContact CD2-CZ 3.75Å; H85-Y291 PolarHBondContact CD2-OH 3.43Å; H85-Y291 AromaticContact CG-CE2 3.93Å; H85-Y291 AromaticContact NE2-CE2 3.81Å; H85-Y291 AromaticContact NE2-CZ 3.77Å; H85-Y291 PolarHBondContact NE2-OH 3.45Å; R115-Y291 VanDerWaalsContact CZ-OH 3.27Å; R115-Y291 PolarHBondContact NH1-OH 3.21Å; V269-Y291 HydrophobicContact CG2-CD1 3.42Å; V269-Y291 VanDerWaalsContact CG2-CD1 3.42Å; V269-Y291 HydrophobicContact CG2-CE1 3.89Å; V269-Y291 HydrophobicContact CG2-CG 3.88Å; F286-Y291 AromaticContact CE1-CD2 3.65Å; F286-Y291 HydrophobicContact CE1-CD2 3.65Å; F286-Y291 HydrophobicContact CE1-CE2 4.39Å; F286-Y291 AromaticContact CE1-CG 3.83Å; F286-Y291 HydrophobicContact CE1-CG 3.83Å; F286-Y291 HydrophobicContact CZ-CD1 4.3Å; F286-Y291 AromaticContact CZ-CD2 3.46Å; F286-Y291 HydrophobicContact CZ-CD2 3.46Å; F286-Y291 VanDerWaalsContact CZ-CD2 3.46Å; F286-Y291 HydrophobicContact CZ-CE1 4.49Å; F286-Y291 AromaticContact CZ-CE2 3.76Å; F286-Y291 HydrophobicContact CZ-CE2 3.76Å; F286-Y291 AromaticContact CZ-CG 3.75Å; F286-Y291 HydrophobicContact CZ-CG 3.75Å; I288-Y291 HydrophobicContact CD1-CD2 3.8Å; I288-Y291 HydrophobicContact CD1-CE2 4.35Å; I288-Y291 HydrophobicContact CG1-CD2 4.03Å; P289-Y291 VanDerWaalsContact C-N 3.34Å; P289-Y291 PolarHBondContact O-N 3.35Å; Y291-G293 PolarHBondContact O-N 3.33Å; Y291-K294 PolarHBondContact O-N 2.86Å; Y291-E295 HydrophobicContact CD1-CG 4.06Å; Y291-E295 HydrophobicContact CG-CG 4.43Å; Y291-E295 PolarHBondContact O-N 3.4Å; Y291-E295 VanDerWaalsContact O-N 3.09Å; Y291-N297 WeakPolarHBondContact CB-OD1 3.25Å; Y291-N297 PolarHBondContact N-OD1 2.7Å
292	C	80.6	Confident	88.2	Confident	63 Å²	63	37.1 Å²	37.1	43%	0.426	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	52.1	16.8	-173.9	-67.4	0	0	0	0	115.6	R290 K294	R290-C292 PolarHBondContact O-N 3Å; C292-K294 PolarHBondContact O-N 2.92Å
293	G	74.7	Confident	87.9	Confident	71 Å²	71	37.7 Å²	37.7	73%	0.732	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	67	13.5	-172.7	0	0	0	0	0	114.3	R290 Y291	R290-G293 WeakPolarHBondContact O-CA 3.45Å; R290-G293 PolarHBondContact O-N 2.99Å; Y291-G293 PolarHBondContact O-N 3.33Å
294	K	76.5	Confident	87.8	Confident	172 Å²	172	38 Å²	38	75%	0.748	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.5	-38.4	-174.4	-68	-179.7	-178.8	-179.4	0	112.7	Y291 C292	Y291-K294 PolarHBondContact O-N 2.86Å; C292-K294 PolarHBondContact O-N 2.92Å
295	E	81.2	Confident	87.6	Confident	98 Å²	98	39.1 Å²	39.1	46%	0.458	22%	0.217	S	C	.	.			trans	-76.1	150.7	-178.5	-60.3	-55.7	146.7	0	0	111.2	V269 R290 Y291 N297	V269-E295 HydrophobicContact CG1-CB 4.4Å; V269-E295 HydrophobicContact CG1-CG 4.25Å; R290-E295 VanDerWaalsContact CA-O 3.3Å; R290-E295 WeakPolarHBondContact CA-O 3.34Å; Y291-E295 HydrophobicContact CD1-CG 4.06Å; Y291-E295 HydrophobicContact CG-CG 4.43Å; Y291-E295 PolarHBondContact O-N 3.4Å; Y291-E295 VanDerWaalsContact O-N 3.09Å; E295-N297 VanDerWaalsContact C-N 3.31Å; E295-N297 HydrophobicContact CB-CB 4.44Å; E295-N297 VanDerWaalsContact CB-OD1 3.23Å; E295-N297 WeakPolarHBondContact CB-OD1 3.34Å
296	C	84.1	Confident	87.5	Confident	120 Å²	120	45.1 Å²	45.1	81%	0.811	25%	0.249	S	C	*	.			trans	-99.6	38.6	172.4	-67.2	0	0	0	0	111
297	N	88	Confident	87.2	Confident	8 Å²	8	52.8 Å²	52.8	4%	0.043	29%	0.285	C	S	.	.			trans	-93.5	152.8	-178.8	76.6	-68.4	0	0	0	112.4	V269 K271 I288 P289 R290 Y291 E295	V269-N297 HydrophobicContact CG1-CB 3.65Å; V269-N297 VanDerWaalsContact CG1-CG 3.47Å; K271-N297 CarbonylContact O-C 3.5Å; K271-N297 WeakPolarHBondContact O-CA 3.35Å; I288-N297 PolarHBondContact O-ND2 3.26Å; P289-N297 WeakPolarHBondContact CA-O 3.44Å; R290-N297 PolarHBondContact N-O 3.45Å; R290-N297 PolarHBondContact N-OD1 2.95Å; Y291-N297 WeakPolarHBondContact CB-OD1 3.25Å; Y291-N297 PolarHBondContact N-OD1 2.7Å; E295-N297 VanDerWaalsContact C-N 3.31Å; E295-N297 HydrophobicContact CB-CB 4.44Å; E295-N297 VanDerWaalsContact CB-OD1 3.23Å; E295-N297 WeakPolarHBondContact CB-OD1 3.34Å
298	C	87.2	Confident	87.1	Confident	28 Å²	28	53.7 Å²	53.7	19%	0.189	29%	0.294	C	S	.	.			trans	-91	176.4	164.4	-50.7	0	0	0	0	109.4	K271 G273 K315	K271-C298 PolarHBondContact O-N 3.45Å; G273-C298 VanDerWaalsContact CA-O 3.25Å; G273-C298 WeakPolarHBondContact CA-O 3.35Å; G273-C298 PolarHBondContact N-O 2.77Å; C298-K315 HydrophobicContact CB-CG 3.89Å
299	S	88	Confident	87.2	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.295	C	S	.	.			trans	-124.3	159.2	169.6	47.7	0	0	0	0	111.3	F286 G287 I288 P289 D313 Q314	F286-S299 WeakPolarHBondContact O-CA 3.13Å; F286-S299 VanDerWaalsContact O-CB 3.23Å; F286-S299 WeakPolarHBondContact O-CB 3.5Å; G287-S299 VanDerWaalsContact O-CB 3.24Å; G287-S299 WeakPolarHBondContact O-CB 3.04Å; I288-S299 VanDerWaalsContact C-CB 3.46Å; P289-S299 WeakPolarHBondContact CD-OG 3.26Å; S299-D313 CarbonylContact O-C 3.59Å; S299-D313 VanDerWaalsContact O-CA 3.31Å; S299-D313 WeakPolarHBondContact O-CA 3.43Å; S299-Q314 PolarHBondContact O-N 2.82Å; S299-Q314 VanDerWaalsContact OG-CB 3.27Å; S299-Q314 WeakPolarHBondContact OG-CB 3.21Å; S299-Q314 WeakPolarHBondContact OG-CG 3.38Å; S299-Q314 PolarHBondContact OG-OE1 2.76Å
300	A	89.6	Confident	87.3	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.008	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	150.6	177.1	0	0	0	0	0	112.1	Y274 F286 V311 V312 D313	Y274-A300 HydrophobicContact CD1-CB 3.82Å; Y274-A300 HydrophobicContact CG-CB 4.41Å; F286-A300 PolarHBondContact O-N 2.77Å; A300-V311 HydrophobicContact CB-CG1 4.06Å; A300-V312 CarbonylContact C-O 3.52Å; A300-V312 VanDerWaalsContact CA-O 3.31Å; A300-V312 WeakPolarHBondContact CA-O 3.36Å; A300-D313 HydrophobicContact CB-CB 4.29Å
301	V	91.5	Very high	87.5	Confident	8 Å²	8	48.8 Å²	48.8	5%	0.048	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	131.7	166.3	175.8	0	0	0	0	107.2	N79 I94 V312	N79-V301 HydrophobicContact CB-CG1 3.79Å; I94-V301 HydrophobicContact CB-CG2 4.38Å; I94-V301 HydrophobicContact CD1-CG2 4.08Å; I94-V301 HydrophobicContact CG1-CG2 3.77Å; I94-V301 HydrophobicContact CG2-CG2 3.91Å; V301-V312 PolarHBondContact N-O 3.38Å; V301-V312 PolarHBondContact O-N 3.47Å
302	V	93.7	Very high	87.3	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.006	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	119.3	-178.1	-176.7	0	0	0	0	109.7	I80 L283 L285 F304 I309 V311	I80-V302 PolarHBondContact N-O 2.95Å; I80-V302 PolarHBondContact O-N 3.45Å; I80-V302 VanDerWaalsContact O-N 3.17Å; L283-V302 HydrophobicContact CD2-CB 4.48Å; L283-V302 HydrophobicContact CD2-CG1 4.3Å; L283-V302 HydrophobicContact CD2-CG2 4.37Å; L285-V302 HydrophobicContact CD1-CB 4.38Å; L285-V302 HydrophobicContact CD1-CG2 4.39Å; L285-V302 HydrophobicContact CD2-CB 4.27Å; L285-V302 HydrophobicContact CD2-CG2 3.44Å; L285-V302 VanDerWaalsContact CD2-CG2 3.44Å; V302-F304 HydrophobicContact CB-CE2 3.95Å; V302-F304 HydrophobicContact CG1-CD2 4.03Å; V302-F304 HydrophobicContact CG1-CE2 3.46Å; V302-F304 VanDerWaalsContact CG1-CE2 3.46Å; V302-F304 HydrophobicContact CG1-CZ 3.84Å; V302-I309 HydrophobicContact CG1-CB 4.25Å; V302-V311 HydrophobicContact CG2-CG1 4.37Å; V302-V311 HydrophobicContact CG2-CG2 4.13Å
303	M	94.2	Very high	87.1	Confident	13 Å²	13	46.5 Å²	46.5	6%	0.064	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	131	171.2	172.8	-176.2	-93.6	0	0	109.7	V78 I309 K310 R350	V78-M303 WeakPolarHBondContact O-CA 3.46Å; M303-I309 CarbonylContact O-C 3.58Å; M303-I309 VanDerWaalsContact O-CA 3.31Å; M303-I309 WeakPolarHBondContact O-CA 3.13Å; M303-K310 HydrophobicContact CB-CB 4.28Å; M303-K310 PolarHBondContact N-O 3.48Å; M303-K310 PolarHBondContact O-N 3.08Å; M303-K310 HydrophobicContact SD-CD 4.16Å; M303-R350 VanDerWaalsContact CB-NH1 3.29Å; M303-R350 PolarHBondContact SD-NH1 3.06Å
304	F	95.4	Very high	86.8	Confident	6 Å²	6	43.6 Å²	43.6	3%	0.026	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	128.3	168.5	-66.8	-99.1	0	0	0	108.7	Y76 P77 V78 I80 L188 V264 L283 V302 I309	Y76-F304 HydrophobicContact CD1-CB 3.84Å; Y76-F304 HydrophobicContact CE1-CB 3.39Å; Y76-F304 HydrophobicContact CE1-CG 4.3Å; P77-F304 CarbonylContact C-O 3.53Å; P77-F304 WeakPolarHBondContact CA-O 3.45Å; V78-F304 PolarHBondContact N-O 2.77Å; V78-F304 PolarHBondContact O-N 3.49Å; I80-F304 HydrophobicContact CD1-CD2 3.66Å; I80-F304 HydrophobicContact CD1-CE2 3.68Å; I80-F304 HydrophobicContact CG1-CD2 3.98Å; I80-F304 HydrophobicContact CG1-CE2 4.18Å; L188-F304 HydrophobicContact CD1-CB 4.31Å; L188-F304 HydrophobicContact CD1-CD1 3.41Å; L188-F304 VanDerWaalsContact CD1-CD1 3.41Å; L188-F304 HydrophobicContact CD1-CD2 4.19Å; L188-F304 HydrophobicContact CD1-CE1 3.61Å; L188-F304 HydrophobicContact CD1-CE2 4.37Å; L188-F304 HydrophobicContact CD1-CG 3.71Å; L188-F304 HydrophobicContact CD1-CZ 4.1Å; L188-F304 HydrophobicContact CD2-CE1 4.27Å; V264-F304 HydrophobicContact CG2-CE2 4.42Å; V264-F304 HydrophobicContact CG2-CZ 3.96Å; L283-F304 HydrophobicContact CD2-CE2 4.28Å; L283-F304 HydrophobicContact CD2-CZ 3.71Å; V302-F304 HydrophobicContact CB-CE2 3.95Å; V302-F304 HydrophobicContact CG1-CD2 4.03Å; V302-F304 HydrophobicContact CG1-CE2 3.46Å; V302-F304 VanDerWaalsContact CG1-CE2 3.46Å; V302-F304 HydrophobicContact CG1-CZ 3.84Å; F304-I309 HydrophobicContact CD1-CG2 3.47Å; F304-I309 VanDerWaalsContact CD1-CG2 3.47Å; F304-I309 HydrophobicContact CE1-CB 4.5Å; F304-I309 HydrophobicContact CE1-CG2 3.36Å; F304-I309 HydrophobicContact CG-CG2 4.34Å; F304-I309 HydrophobicContact CZ-CG2 4.14Å
305	D	94.2	Very high	86.3	Confident	24 Å²	24	39.1 Å²	39.1	13%	0.128	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	177.9	173	68.8	26.1	0	0	0	110.8	P77 Q307 G308 K310	P77-D305 HydrophobicContact CB-CB 3.82Å; D305-Q307 PolarHBondContact O-N 2.91Å; D305-Q307 VanDerWaalsContact O-N 3.07Å; D305-Q307 VanDerWaalsContact OD1-CA 3.26Å; D305-Q307 WeakPolarHBondContact OD1-CA 3.15Å; D305-Q307 VanDerWaalsContact OD1-CB 3.23Å; D305-Q307 WeakPolarHBondContact OD1-CB 3.44Å; D305-Q307 PolarHBondContact OD1-N 3.03Å; D305-G308 PolarHBondContact N-O 3.22Å; D305-G308 PolarHBondContact O-N 3.3Å; D305-G308 PolarHBondContact OD1-N 3.49Å; D305-G308 VanDerWaalsContact OD1-N 3.15Å; D305-K310 IonicContact OD2-NZ 2.85Å; D305-K310 PolarHBondContact OD2-NZ 3.03Å
306	D	93.2	Very high	84.8	Confident	127 Å²	127	40.1 Å²	40.1	68%	0.679	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-13	179.9	-60.3	-39	0	0	0	113.5
307	Q	89.1	Confident	83.5	Confident	162 Å²	162	35.2 Å²	35.2	76%	0.757	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-5.4	178.1	-54.1	-62.3	-52.8	0	0	112.7	D305	D305-Q307 PolarHBondContact O-N 2.91Å; D305-Q307 VanDerWaalsContact O-N 3.07Å; D305-Q307 VanDerWaalsContact OD1-CA 3.26Å; D305-Q307 WeakPolarHBondContact OD1-CA 3.15Å; D305-Q307 VanDerWaalsContact OD1-CB 3.23Å; D305-Q307 WeakPolarHBondContact OD1-CB 3.44Å; D305-Q307 PolarHBondContact OD1-N 3.03Å
308	G	88.7	Confident	82	Confident	18 Å²	18	38 Å²	38	19%	0.186	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	123.6	-143.1	176.9	0	0	0	0	0	113.3	D305	D305-G308 PolarHBondContact N-O 3.22Å; D305-G308 PolarHBondContact O-N 3.3Å; D305-G308 PolarHBondContact OD1-N 3.49Å; D305-G308 VanDerWaalsContact OD1-N 3.15Å
309	I	89.9	Confident	80.6	Confident	14 Å²	14	42.4 Å²	42.4	7%	0.072	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	137.9	-174.8	70.4	179.1	0	0	0	111.6	F276 V302 M303 F304 F353 T355	F276-I309 HydrophobicContact CE1-CD1 4.49Å; F276-I309 HydrophobicContact CZ-CD1 3.7Å; V302-I309 HydrophobicContact CG1-CB 4.25Å; M303-I309 CarbonylContact O-C 3.58Å; M303-I309 VanDerWaalsContact O-CA 3.31Å; M303-I309 WeakPolarHBondContact O-CA 3.13Å; F304-I309 HydrophobicContact CD1-CG2 3.47Å; F304-I309 VanDerWaalsContact CD1-CG2 3.47Å; F304-I309 HydrophobicContact CE1-CB 4.5Å; F304-I309 HydrophobicContact CE1-CG2 3.36Å; F304-I309 HydrophobicContact CG-CG2 4.34Å; F304-I309 HydrophobicContact CZ-CG2 4.14Å; I309-F353 HydrophobicContact CG1-CB 4.27Å; I309-F353 PolarHBondContact O-N 3.39Å; I309-T355 HydrophobicContact CD1-CG2 3.7Å; I309-T355 HydrophobicContact CG1-CG2 3.95Å; I309-T355 HydrophobicContact CG2-CG2 4.44Å
310	K	88.3	Confident	79.2	Confident	67 Å²	67	50 Å²	50	29%	0.291	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	126.7	173.2	-65.1	169.8	-175.3	145	0	108.8	M303 D305	M303-K310 HydrophobicContact CB-CB 4.28Å; M303-K310 PolarHBondContact N-O 3.48Å; M303-K310 PolarHBondContact O-N 3.08Å; M303-K310 HydrophobicContact SD-CD 4.16Å; D305-K310 IonicContact OD2-NZ 2.85Å; D305-K310 PolarHBondContact OD2-NZ 3.03Å
311	V	85.6	Confident	78.2	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.012	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	129.3	-178.7	-175.3	0	0	0	0	108.7	Y274 A300 V302 D313 K351 F353	Y274-V311 HydrophobicContact CD1-CG1 3.79Å; Y274-V311 HydrophobicContact CE1-CG1 3.78Å; Y274-V311 HydrophobicContact CG-CG1 4.37Å; A300-V311 HydrophobicContact CB-CG1 4.06Å; V302-V311 HydrophobicContact CG2-CG1 4.37Å; V302-V311 HydrophobicContact CG2-CG2 4.13Å; V311-D313 HydrophobicContact CG1-CB 4.41Å; V311-K351 PolarHBondContact N-O 3.27Å; V311-K351 VanDerWaalsContact N-O 3.16Å; V311-K351 PolarHBondContact O-N 3.37Å; V311-F353 HydrophobicContact CB-CD2 4.4Å; V311-F353 HydrophobicContact CB-CE2 4.5Å; V311-F353 HydrophobicContact CG2-CD2 3.95Å; V311-F353 HydrophobicContact CG2-CE2 4.31Å
312	V	79.4	Confident	77.3	Confident	14 Å²	14	53.4 Å²	53.4	9%	0.085	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	101.3	168.5	-174.5	0	0	0	0	106.4	M97 A300 V301 R350	M97-V312 HydrophobicContact CB-CG1 4.16Å; A300-V312 CarbonylContact C-O 3.52Å; A300-V312 VanDerWaalsContact CA-O 3.31Å; A300-V312 WeakPolarHBondContact CA-O 3.36Å; V301-V312 PolarHBondContact N-O 3.38Å; V301-V312 PolarHBondContact O-N 3.47Å; V312-R350 HydrophobicContact CG2-CB 4.27Å; V312-R350 HydrophobicContact CG2-CG 3.7Å
313	D	76.8	Confident	76.5	Confident	22 Å²	22	55.9 Å²	55.9	12%	0.118	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	152.3	178.3	62	33.1	0	0	0	111.8	S299 A300 V311 K315	S299-D313 CarbonylContact O-C 3.59Å; S299-D313 VanDerWaalsContact O-CA 3.31Å; S299-D313 WeakPolarHBondContact O-CA 3.43Å; A300-D313 HydrophobicContact CB-CB 4.29Å; V311-D313 HydrophobicContact CG1-CB 4.41Å; D313-K315 HydrophobicContact CB-CG 4.11Å; D313-K315 WeakPolarHBondContact OD2-CE 3.07Å; D313-K315 IonicContact OD2-NZ 2.64Å
314	Q	68.7	Low	75.8	Confident	10 Å²	10	60.1 Å²	60.1	5%	0.047	31%	0.314	C	S	.	.			trans	-99.4	23	180	-51.3	-170.5	-7.9	0	0	112.1	F93 S299 D316 A317 F322	F93-Q314 VanDerWaalsContact CD1-CD 3.42Å; F93-Q314 HydrophobicContact CD1-CG 3.84Å; F93-Q314 HydrophobicContact CE1-CB 4.21Å; F93-Q314 HydrophobicContact CE1-CG 3.5Å; F93-Q314 VanDerWaalsContact CE1-CG 3.5Å; F93-Q314 HydrophobicContact CZ-CG 4.38Å; S299-Q314 PolarHBondContact O-N 2.82Å; S299-Q314 VanDerWaalsContact OG-CB 3.27Å; S299-Q314 WeakPolarHBondContact OG-CB 3.21Å; S299-Q314 WeakPolarHBondContact OG-CG 3.38Å; S299-Q314 PolarHBondContact OG-OE1 2.76Å; Q314-D316 PolarHBondContact O-N 2.78Å; Q314-D316 VanDerWaalsContact O-N 3.14Å; Q314-A317 PolarHBondContact O-N 2.91Å; Q314-F322 VanDerWaalsContact OE1-CZ 3.24Å
315	K	65.9	Low	75	Confident	78 Å²	78	60.6 Å²	60.6	34%	0.339	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-30	178.6	-55.9	-172	-171.8	-179.1	0	111.8	E272 C298 D313	E272-K315 WeakPolarHBondContact OE2-CE 3.48Å; E272-K315 IonicContact OE2-NZ 3.36Å; E272-K315 PolarHBondContact OE2-NZ 3.17Å; C298-K315 HydrophobicContact CB-CG 3.89Å; D313-K315 HydrophobicContact CB-CG 4.11Å; D313-K315 WeakPolarHBondContact OD2-CE 3.07Å; D313-K315 IonicContact OD2-NZ 2.64Å
316	D	50.1	Low	74.3	Confident	120 Å²	120	60 Å²	60	64%	0.642	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	2.4	-169.1	-60.9	-34.7	0	0	0	113.9	Q314 P318 K351	Q314-D316 PolarHBondContact O-N 2.78Å; Q314-D316 VanDerWaalsContact O-N 3.14Å; D316-P318 WeakPolarHBondContact O-CD 3.42Å; D316-K351 IonicContact OD2-NZ 3.09Å
317	A	55.7	Low	73.8	Confident	17 Å²	17	58.7 Å²	58.7	14%	0.14	30%	0.304	C	S	.	.			trans	-107	96.1	-177.9	0	0	0	0	0	112.7	F93 Q314 F322	F93-A317 HydrophobicContact CD2-CB 4.35Å; F93-A317 HydrophobicContact CE2-CB 3.41Å; F93-A317 VanDerWaalsContact CE2-CB 3.41Å; F93-A317 HydrophobicContact CZ-CB 3.5Å; Q314-A317 PolarHBondContact O-N 2.91Å; A317-F322 HydrophobicContact CB-CE2 4.09Å; A317-F322 HydrophobicContact CB-CZ 4.33Å; A317-F322 WeakPolarHBondContact O-CE2 3.34Å
318	P	55.8	Low	73.6	Confident	65 Å²	65	53.2 Å²	53.2	42%	0.422	28%	0.282	S	S	.	.			trans	-44.5	147.2	164.4	-22	16	0	0	0	113.2	D316 E320 D321 F322	D316-P318 WeakPolarHBondContact O-CD 3.42Å; P318-E320 PolarHBondContact O-N 3.33Å; P318-E320 VanDerWaalsContact O-N 3.12Å; P318-D321 WeakPolarHBondContact CD-OD2 3.42Å; P318-D321 WeakPolarHBondContact CG-OD2 3.34Å; P318-D321 WeakPolarHBondContact O-CA 3.4Å; P318-D321 VanDerWaalsContact O-CB 3.24Å; P318-D321 WeakPolarHBondContact O-CB 3.29Å; P318-D321 PolarHBondContact O-N 2.83Å; P318-F322 WeakPolarHBondContact O-CD2 3.39Å
319	Q	58	Low	73.3	Confident	122 Å²	122	52.4 Å²	52.4	57%	0.57	27%	0.273	S	S	*	.	H	α-helix	trans	-56.8	-31.8	177.1	-169.5	169.9	-5.4	0	0	112.8	D321 F322	Q319-D321 PolarHBondContact O-N 2.57Å; Q319-F322 WeakPolarHBondContact O-CB 3.38Å; Q319-F322 PolarHBondContact O-N 3.42Å; Q319-F322 VanDerWaalsContact O-N 3.16Å
320	E	59.7	Low	73.1	Confident	160 Å²	160	52.8 Å²	52.8	75%	0.748	28%	0.275	S	S	*	.	H	α-helix	trans	-60.1	-31.8	174.5	-69.9	157.8	-160.6	0	0	112.1	P318 F322 S323 L324	P318-E320 PolarHBondContact O-N 3.33Å; P318-E320 VanDerWaalsContact O-N 3.12Å; E320-F322 VanDerWaalsContact C-N 3.33Å; E320-F322 PolarHBondContact O-N 2.9Å; E320-S323 PolarHBondContact O-N 2.93Å; E320-L324 PolarHBondContact O-N 2.78Å; E320-L324 VanDerWaalsContact O-N 3.12Å
321	D	68.9	Low	72.9	Confident	68 Å²	68	54.1 Å²	54.1	36%	0.364	29%	0.286	S	S	.	.	H	α-helix	trans	-69.4	-31.7	177.6	-62.9	-13.7	0	0	0	111.6	P318 Q319 L324 L325	P318-D321 WeakPolarHBondContact CD-OD2 3.42Å; P318-D321 WeakPolarHBondContact CG-OD2 3.34Å; P318-D321 WeakPolarHBondContact O-CA 3.4Å; P318-D321 VanDerWaalsContact O-CB 3.24Å; P318-D321 WeakPolarHBondContact O-CB 3.29Å; P318-D321 PolarHBondContact O-N 2.83Å; Q319-D321 PolarHBondContact O-N 2.57Å; D321-L324 PolarHBondContact O-N 3.29Å; D321-L325 WeakPolarHBondContact O-CB 3.3Å; D321-L325 PolarHBondContact O-N 3.43Å
322	F	72.8	Confident	72.8	Confident	11 Å²	11	57.1 Å²	57.1	5%	0.048	30%	0.298	C	S	.	.	H	α-helix	trans	-65.8	-41.6	176.3	-70.3	-92.4	0	0	0	111.9	E89 A90 F93 P289 Q314 A317 P318 Q319 E320 T326	E89-F322 HydrophobicContact CB-CB 4.06Å; E89-F322 HydrophobicContact CB-CD1 4.4Å; A90-F322 HydrophobicContact CB-CE1 4.34Å; F93-F322 HydrophobicContact CB-CD1 3.65Å; F93-F322 HydrophobicContact CB-CE1 3.42Å; F93-F322 VanDerWaalsContact CB-CE1 3.42Å; F93-F322 HydrophobicContact CD1-CE1 4.22Å; F93-F322 AromaticContact CD2-CD1 3.97Å; F93-F322 HydrophobicContact CD2-CD1 3.97Å; F93-F322 AromaticContact CD2-CE1 3.7Å; F93-F322 HydrophobicContact CD2-CE1 3.7Å; F93-F322 HydrophobicContact CD2-CZ 4.13Å; F93-F322 HydrophobicContact CG-CD1 4.02Å; F93-F322 AromaticContact CG-CE1 3.51Å; F93-F322 HydrophobicContact CG-CE1 3.51Å; F93-F322 HydrophobicContact CG-CZ 4.17Å; P289-F322 HydrophobicContact CG-CE2 4.31Å; P289-F322 HydrophobicContact CG-CZ 3.87Å; Q314-F322 VanDerWaalsContact OE1-CZ 3.24Å; A317-F322 HydrophobicContact CB-CE2 4.09Å; A317-F322 HydrophobicContact CB-CZ 4.33Å; A317-F322 WeakPolarHBondContact O-CE2 3.34Å; P318-F322 WeakPolarHBondContact O-CD2 3.39Å; Q319-F322 WeakPolarHBondContact O-CB 3.38Å; Q319-F322 PolarHBondContact O-N 3.42Å; Q319-F322 VanDerWaalsContact O-N 3.16Å; E320-F322 VanDerWaalsContact C-N 3.33Å; E320-F322 PolarHBondContact O-N 2.9Å; F322-T326 VanDerWaalsContact O-CB 3.3Å; F322-T326 WeakPolarHBondContact O-CB 3.41Å; F322-T326 PolarHBondContact O-N 3.46Å; F322-T326 PolarHBondContact O-OG1 3.48Å
323	S	76.8	Confident	73.1	Confident	54 Å²	54	56.7 Å²	56.7	38%	0.378	30%	0.296	S	S	.	.	H	α-helix	trans	-66.5	-44	176.5	-72.7	0	0	0	0	111.3	E320 T326 M327	E320-S323 PolarHBondContact O-N 2.93Å; S323-T326 PolarHBondContact O-N 3.2Å; S323-M327 WeakPolarHBondContact O-CG 3.47Å; S323-M327 PolarHBondContact O-N 2.95Å
324	L	78.3	Confident	73.4	Confident	102 Å²	102	60.4 Å²	60.4	53%	0.534	31%	0.311	S	S	.	.	H	α-helix	trans	-64	-41.8	176.3	-176.8	62.5	0	0	0	112.3	E320 D321 M327 T328	E320-L324 PolarHBondContact O-N 2.78Å; E320-L324 VanDerWaalsContact O-N 3.12Å; D321-L324 PolarHBondContact O-N 3.29Å; L324-M327 HydrophobicContact CB-CE 4.48Å; L324-M327 HydrophobicContact CD1-CE 3.94Å; L324-M327 PolarHBondContact O-N 2.88Å; L324-T328 WeakPolarHBondContact O-CB 3.04Å; L324-T328 PolarHBondContact O-N 3.14Å; L324-T328 PolarHBondContact O-OG1 3.37Å
325	L	79	Confident	74	Confident	15 Å²	15	65.1 Å²	65.1	8%	0.079	34%	0.341	C	S	.	.	H	α-helix	trans	-62.1	-46.7	175.5	-172.6	87.9	0	0	0	111	F93 D321 M327 T328 V329 I345	F93-L325 HydrophobicContact CB-CD2 3.79Å; F93-L325 HydrophobicContact CD2-CD2 3.8Å; F93-L325 HydrophobicContact CG-CD2 4.16Å; D321-L325 WeakPolarHBondContact O-CB 3.3Å; D321-L325 PolarHBondContact O-N 3.43Å; L325-M327 VanDerWaalsContact C-N 3.35Å; L325-M327 PolarHBondContact O-N 3.1Å; L325-T328 WeakPolarHBondContact O-CA 3.39Å; L325-T328 WeakPolarHBondContact O-CB 3.23Å; L325-T328 PolarHBondContact O-N 3.1Å; L325-V329 WeakPolarHBondContact O-CG2 3.44Å; L325-V329 PolarHBondContact O-N 3.15Å; L325-I345 HydrophobicContact CD1-CB 4.34Å; L325-I345 HydrophobicContact CD1-CD1 3.32Å; L325-I345 HydrophobicContact CD1-CG1 4.35Å; L325-I345 HydrophobicContact CG-CD1 4.19Å
326	T	80.2	Confident	74.6	Confident	12 Å²	12	66.9 Å²	66.9	7%	0.074	35%	0.348	C	S	.	.	H	α-helix	trans	-57.2	-49.7	176.8	-60.5	0	0	0	0	110	L92 F322 S323 T328 V329 E330	L92-T326 HydrophobicContact CD1-CG2 3.89Å; F322-T326 VanDerWaalsContact O-CB 3.3Å; F322-T326 WeakPolarHBondContact O-CB 3.41Å; F322-T326 PolarHBondContact O-N 3.46Å; F322-T326 PolarHBondContact O-OG1 3.48Å; S323-T326 PolarHBondContact O-N 3.2Å; T326-T328 VanDerWaalsContact C-N 3.26Å; T326-T328 PolarHBondContact O-N 3.04Å; T326-V329 PolarHBondContact O-N 3.36Å; T326-E330 WeakPolarHBondContact O-CG 3.12Å; T326-E330 PolarHBondContact O-N 3.42Å
327	M	82.6	Confident	75.8	Confident	99 Å²	99	65.5 Å²	65.5	49%	0.488	35%	0.346	S	S	.	.	H	α-helix	trans	-58.7	-37.7	175.2	-70.5	-172.6	-64.7	0	0	112.6	S323 L324 L325 E330 N331	S323-M327 WeakPolarHBondContact O-CG 3.47Å; S323-M327 PolarHBondContact O-N 2.95Å; L324-M327 HydrophobicContact CB-CE 4.48Å; L324-M327 HydrophobicContact CD1-CE 3.94Å; L324-M327 PolarHBondContact O-N 2.88Å; L325-M327 VanDerWaalsContact C-N 3.35Å; L325-M327 PolarHBondContact O-N 3.1Å; M327-E330 PolarHBondContact O-N 3.12Å; M327-N331 WeakPolarHBondContact O-CB 3.14Å; M327-N331 PolarHBondContact O-N 3.36Å; M327-N331 PolarHBondContact O-ND2 3.09Å
328	T	83.3	Confident	76.6	Confident	48 Å²	48	66.5 Å²	66.5	29%	0.294	36%	0.358	S	S	.	.	H	α-helix	trans	-66.1	-45	177.5	-58.1	0	0	0	0	111.5	L324 L325 T326 N331 K332 I345	L324-T328 WeakPolarHBondContact O-CB 3.04Å; L324-T328 PolarHBondContact O-N 3.14Å; L324-T328 PolarHBondContact O-OG1 3.37Å; L325-T328 WeakPolarHBondContact O-CA 3.39Å; L325-T328 WeakPolarHBondContact O-CB 3.23Å; L325-T328 PolarHBondContact O-N 3.1Å; T326-T328 VanDerWaalsContact C-N 3.26Å; T326-T328 PolarHBondContact O-N 3.04Å; T328-N331 PolarHBondContact O-N 3.3Å; T328-K332 HydrophobicContact CG2-CD 4.37Å; T328-K332 WeakPolarHBondContact O-CB 3.37Å; T328-K332 WeakPolarHBondContact O-CG 3.5Å; T328-K332 PolarHBondContact O-N 3.3Å; T328-I345 HydrophobicContact CG2-CD1 3.68Å
329	V	84.2	Confident	77.5	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-59.3	-49.4	174.3	170.2	0	0	0	0	109.9	W100 L325 T326 N331 K332 V333 L343	W100-V329 HydrophobicContact CZ2-CG1 4.17Å; W100-V329 HydrophobicContact CZ2-CG2 4.36Å; L325-V329 WeakPolarHBondContact O-CG2 3.44Å; L325-V329 PolarHBondContact O-N 3.15Å; T326-V329 PolarHBondContact O-N 3.36Å; V329-N331 PolarHBondContact O-N 3.18Å; V329-K332 PolarHBondContact O-N 3.03Å; V329-V333 HydrophobicContact CG1-CG2 4.32Å; V329-V333 WeakPolarHBondContact O-CG2 3.32Å; V329-V333 PolarHBondContact O-N 3.16Å; V329-L343 HydrophobicContact CG1-CD1 4.31Å
330	E	85	Confident	78.3	Confident	23 Å²	23	61.2 Å²	61.2	11%	0.107	33%	0.329	C	S	.	.	H	α-helix	trans	-57	-47.4	178.4	-70.3	-168.1	168.6	0	0	112.3	L41 K43 T326 M327 K332 V333 K334	L41-E330 WeakPolarHBondContact O-CG 3.47Å; K43-E330 WeakPolarHBondContact CB-OE1 3.31Å; K43-E330 PolarHBondContact N-OE1 3.25Å; T326-E330 WeakPolarHBondContact O-CG 3.12Å; T326-E330 PolarHBondContact O-N 3.42Å; M327-E330 PolarHBondContact O-N 3.12Å; E330-K332 PolarHBondContact O-N 3.4Å; E330-V333 PolarHBondContact O-N 2.8Å; E330-K334 WeakPolarHBondContact O-CB 3.46Å; E330-K334 VanDerWaalsContact O-CG 3.25Å; E330-K334 WeakPolarHBondContact O-CG 3.44Å; E330-K334 PolarHBondContact O-N 3.45Å
331	N	85	Confident	78.6	Confident	95 Å²	95	56.4 Å²	56.4	51%	0.508	31%	0.313	S	S	.	.	H	α-helix	trans	-64	-39.7	179.9	-74.6	-26.5	0	0	0	112.3	M327 T328 V329 T335	M327-N331 WeakPolarHBondContact O-CB 3.14Å; M327-N331 PolarHBondContact O-N 3.36Å; M327-N331 PolarHBondContact O-ND2 3.09Å; T328-N331 PolarHBondContact O-N 3.3Å; V329-N331 PolarHBondContact O-N 3.18Å; N331-T335 WeakPolarHBondContact O-CG2 3.47Å; N331-T335 PolarHBondContact O-N 3.07Å; N331-T335 VanDerWaalsContact O-N 3.17Å; N331-T335 PolarHBondContact O-OG1 3.46Å
332	K	83.5	Confident	78.5	Confident	64 Å²	64	56.2 Å²	56.2	28%	0.278	31%	0.312	S	S	.	.	H	α-helix	trans	-67.4	-42.3	175.7	-73.6	-179.9	176.1	-176.1	0	111.8	T328 V329 E330 K334 T335 K336 D342 L343	T328-K332 HydrophobicContact CG2-CD 4.37Å; T328-K332 WeakPolarHBondContact O-CB 3.37Å; T328-K332 WeakPolarHBondContact O-CG 3.5Å; T328-K332 PolarHBondContact O-N 3.3Å; V329-K332 PolarHBondContact O-N 3.03Å; E330-K332 PolarHBondContact O-N 3.4Å; K332-K334 PolarHBondContact O-N 2.72Å; K332-T335 PolarHBondContact O-N 3.24Å; K332-T335 PolarHBondContact O-OG1 3.25Å; K332-T335 VanDerWaalsContact O-OG1 3.08Å; K332-K336 PolarHBondContact O-N 2.59Å; K332-D342 VanDerWaalsContact CD-O 3.31Å; K332-D342 WeakPolarHBondContact CD-O 3.38Å; K332-D342 WeakPolarHBondContact CE-O 3.35Å; K332-D342 PolarHBondContact NZ-O 2.98Å; K332-L343 HydrophobicContact CB-CD2 3.29Å; K332-L343 HydrophobicContact CD-CD2 3.96Å; K332-L343 HydrophobicContact CG-CD2 4.28Å
333	V	84.1	Confident	78.6	Confident	6 Å²	6	55.9 Å²	55.9	4%	0.036	31%	0.311	C	S	.	.	H	α-helix	trans	-64.6	-39.7	176.1	175.6	0	0	0	0	111.5	A38 L41 I42 V329 E330 T335 L343	A38-V333 HydrophobicContact CB-CG1 4.03Å; A38-V333 WeakPolarHBondContact O-CG1 3.46Å; L41-V333 HydrophobicContact CB-CG1 4.41Å; L41-V333 HydrophobicContact CB-CG2 4.05Å; L41-V333 HydrophobicContact CD1-CG2 3.89Å; I42-V333 HydrophobicContact CD1-CG1 3.99Å; I42-V333 HydrophobicContact CG1-CB 4.41Å; I42-V333 HydrophobicContact CG1-CG1 4.17Å; V329-V333 HydrophobicContact CG1-CG2 4.32Å; V329-V333 WeakPolarHBondContact O-CG2 3.32Å; V329-V333 PolarHBondContact O-N 3.16Å; E330-V333 PolarHBondContact O-N 2.8Å; V333-T335 VanDerWaalsContact C-N 3.28Å; V333-T335 PolarHBondContact O-N 3.16Å; V333-L343 HydrophobicContact CG2-CD1 3.8Å; V333-L343 HydrophobicContact CG2-CD2 3.85Å; V333-L343 HydrophobicContact CG2-CG 4.47Å
334	K	83.2	Confident	78.2	Confident	100 Å²	100	54.7 Å²	54.7	44%	0.435	30%	0.301	S	S	.	.	H	α-helix	trans	-61.7	-32.9	175.6	-76.2	171.5	176.5	177	0	112.8	I42 E44 E330 K332	I42-K334 HydrophobicContact CD1-CG 3.59Å; I42-K334 HydrophobicContact CG1-CG 4.22Å; E44-K334 IonicContact OE2-NZ 2.74Å; E44-K334 PolarHBondContact OE2-NZ 2.69Å; E44-K334 VanDerWaalsContact OE2-NZ 3.14Å; E330-K334 WeakPolarHBondContact O-CB 3.46Å; E330-K334 VanDerWaalsContact O-CG 3.25Å; E330-K334 WeakPolarHBondContact O-CG 3.44Å; E330-K334 PolarHBondContact O-N 3.45Å; K332-K334 PolarHBondContact O-N 2.72Å
335	T	81.4	Confident	77.4	Confident	109 Å²	109	51.9 Å²	51.9	67%	0.669	29%	0.286	S	S	*	.	H	α-helix	trans	-94.7	-32.1	-176.1	51.9	0	0	0	0	113.7	N331 K332 V333	N331-T335 WeakPolarHBondContact O-CG2 3.47Å; N331-T335 PolarHBondContact O-N 3.07Å; N331-T335 VanDerWaalsContact O-N 3.17Å; N331-T335 PolarHBondContact O-OG1 3.46Å; K332-T335 PolarHBondContact O-N 3.24Å; K332-T335 PolarHBondContact O-OG1 3.25Å; K332-T335 VanDerWaalsContact O-OG1 3.08Å; V333-T335 VanDerWaalsContact C-N 3.28Å; V333-T335 PolarHBondContact O-N 3.16Å
336	K	79.5	Confident	76.5	Confident	114 Å²	114	56 Å²	56	50%	0.496	30%	0.304	S	S	.	.	S	Bend	trans	-140.6	73.8	-179.3	-60.5	-170	-167.2	175.6	0	111.5	K332 L339 D342	K332-K336 PolarHBondContact O-N 2.59Å; K336-L339 HydrophobicContact CB-CB 4.28Å; K336-L339 HydrophobicContact CB-CD2 4.5Å; K336-L339 HydrophobicContact CD-CD2 3.71Å; K336-L339 PolarHBondContact O-N 2.96Å; K336-D342 IonicContact NZ-OD2 3.84Å; K336-D342 PolarHBondContact NZ-OD2 3.18Å
337	P	75.6	Confident	75.1	Confident	91 Å²	91	58.8 Å²	58.8	59%	0.591	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	141.4	178.4	25.6	-34	0	0	0	111.5	A38 L339	A38-P337 HydrophobicContact CB-CB 4.3Å; P337-L339 VanDerWaalsContact C-N 3.3Å; P337-L339 PolarHBondContact O-N 2.94Å
338	G	71.4	Confident	73.3	Confident	39 Å²	39	61.2 Å²	61.2	40%	0.402	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	-9	178.3	0	0	0	0	0	115.8	Y340	G338-Y340 VanDerWaalsContact C-N 3.34Å; G338-Y340 PolarHBondContact O-N 3.18Å
339	L	75.3	Confident	71.7	Confident	70 Å²	70	65.5 Å²	65.5	37%	0.366	35%	0.354	S	S	.	.			trans	-92.4	61.1	178.5	-162	62.4	0	0	0	111.5	K336 P337 S341 D342	K336-L339 HydrophobicContact CB-CB 4.28Å; K336-L339 HydrophobicContact CB-CD2 4.5Å; K336-L339 HydrophobicContact CD-CD2 3.71Å; K336-L339 PolarHBondContact O-N 2.96Å; P337-L339 VanDerWaalsContact C-N 3.3Å; P337-L339 PolarHBondContact O-N 2.94Å; L339-S341 PolarHBondContact O-N 3.06Å; L339-D342 HydrophobicContact CD2-CB 4.16Å; L339-D342 WeakPolarHBondContact CD2-OD2 3.43Å; L339-D342 HydrophobicContact CG-CB 4.06Å; L339-D342 WeakPolarHBondContact O-CB 3.22Å; L339-D342 PolarHBondContact O-N 2.87Å
340	Y	74.1	Confident	70	Confident	6 Å²	6	67.9 Å²	67.9	2%	0.024	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-61.5	-26.3	-174.4	-54.1	-66.2	0	0	0	113.8	E34 L37 L41 W100 Y133 G338 D342 L343	E34-Y340 WeakPolarHBondContact OE2-CE2 3.47Å; E34-Y340 VanDerWaalsContact OE2-CZ 3.22Å; E34-Y340 PolarHBondContact OE2-OH 2.87Å; L37-Y340 WeakPolarHBondContact CB-OH 3.41Å; L37-Y340 HydrophobicContact CD1-CE2 4.34Å; L41-Y340 HydrophobicContact CD1-CD1 4.07Å; L41-Y340 HydrophobicContact CD1-CE1 3.62Å; W100-Y340 WeakPolarHBondContact CB-O 3.39Å; W100-Y340 HydrophobicContact CE3-CD1 4.5Å; Y133-Y340 HydrophobicContact CE2-CD2 4.23Å; Y133-Y340 HydrophobicContact CE2-CE2 4.28Å; Y133-Y340 WeakPolarHBondContact OH-CE2 3.32Å; G338-Y340 VanDerWaalsContact C-N 3.34Å; G338-Y340 PolarHBondContact O-N 3.18Å; Y340-D342 PolarHBondContact O-N 3.19Å; Y340-L343 HydrophobicContact CD1-CD1 3.65Å; Y340-L343 HydrophobicContact CG-CD1 4.49Å; Y340-L343 VanDerWaalsContact O-CB 3.26Å; Y340-L343 WeakPolarHBondContact O-CB 3.41Å; Y340-L343 PolarHBondContact O-N 3.32Å
341	S	66.4	Low	68.4	Low	58 Å²	58	72.2 Å²	72.2	41%	0.406	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-55.7	-40.4	172.9	54	0	0	0	0	112	L339 L343 T344	L339-S341 PolarHBondContact O-N 3.06Å; S341-L343 PolarHBondContact O-N 3.21Å; S341-T344 WeakPolarHBondContact O-CB 3.5Å; S341-T344 PolarHBondContact O-N 3.11Å; S341-T344 PolarHBondContact O-OG1 3.14Å
342	D	67.4	Low	66.5	Low	64 Å²	64	70.5 Å²	70.5	34%	0.342	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-69.3	-16.2	178.6	-77.7	19.7	0	0	0	112.1	K332 K336 L339 Y340 T344	K332-D342 VanDerWaalsContact CD-O 3.31Å; K332-D342 WeakPolarHBondContact CD-O 3.38Å; K332-D342 WeakPolarHBondContact CE-O 3.35Å; K332-D342 PolarHBondContact NZ-O 2.98Å; K336-D342 IonicContact NZ-OD2 3.84Å; K336-D342 PolarHBondContact NZ-OD2 3.18Å; L339-D342 HydrophobicContact CD2-CB 4.16Å; L339-D342 WeakPolarHBondContact CD2-OD2 3.43Å; L339-D342 HydrophobicContact CG-CB 4.06Å; L339-D342 WeakPolarHBondContact O-CB 3.22Å; L339-D342 PolarHBondContact O-N 2.87Å; Y340-D342 PolarHBondContact O-N 3.19Å; D342-T344 VanDerWaalsContact C-N 3.28Å
343	L	73.4	Confident	64.5	Low	4 Å²	4	72.4 Å²	72.4	2%	0.021	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-78.1	-11.9	176.4	-54.8	-179.3	0	0	0	113.1	L41 W100 V329 K332 V333 Y340 S341 I345	L41-L343 HydrophobicContact CD1-CD1 4.28Å; W100-L343 HydrophobicContact CD2-CB 4.24Å; W100-L343 HydrophobicContact CD2-CD1 4.13Å; W100-L343 HydrophobicContact CE3-CD1 4.43Å; W100-L343 HydrophobicContact CG-CB 4.12Å; W100-L343 HydrophobicContact CH2-CD1 4.49Å; W100-L343 HydrophobicContact CZ2-CB 4.48Å; W100-L343 HydrophobicContact CZ2-CD1 4.18Å; W100-L343 PolarHBondContact NE1-O 3.41Å; V329-L343 HydrophobicContact CG1-CD1 4.31Å; K332-L343 HydrophobicContact CB-CD2 3.29Å; K332-L343 HydrophobicContact CD-CD2 3.96Å; K332-L343 HydrophobicContact CG-CD2 4.28Å; V333-L343 HydrophobicContact CG2-CD1 3.8Å; V333-L343 HydrophobicContact CG2-CD2 3.85Å; V333-L343 HydrophobicContact CG2-CG 4.47Å; Y340-L343 HydrophobicContact CD1-CD1 3.65Å; Y340-L343 HydrophobicContact CG-CD1 4.49Å; Y340-L343 VanDerWaalsContact O-CB 3.26Å; Y340-L343 WeakPolarHBondContact O-CB 3.41Å; Y340-L343 PolarHBondContact O-N 3.32Å; S341-L343 PolarHBondContact O-N 3.21Å; L343-I345 WeakPolarHBondContact O-CG1 3.28Å; L343-I345 PolarHBondContact O-N 3.39Å
344	T	68.5	Low	62	Low	29 Å²	29	83.3 Å²	83.3	18%	0.178	44%	0.435	C	S	.	.			trans	-71.1	127.6	174.1	-47.5	0	0	0	0	108.9	W100 S341 D342 P347	W100-T344 PolarHBondContact N-OG1 3.13Å; S341-T344 WeakPolarHBondContact O-CB 3.5Å; S341-T344 PolarHBondContact O-N 3.11Å; S341-T344 PolarHBondContact O-OG1 3.14Å; D342-T344 VanDerWaalsContact C-N 3.28Å; T344-P347 HydrophobicContact CG2-CB 4.02Å; T344-P347 HydrophobicContact CG2-CG 4.42Å
345	I	62.3	Low	60	Low	43 Å²	43	82.1 Å²	82.1	22%	0.221	44%	0.436	C	S	.	.	S	Bend	trans	-107.3	-36.6	-172.1	-65.3	166.9	0	0	0	110.8	S96 L325 T328 L343	S96-I345 PolarHBondContact O-N 2.78Å; L325-I345 HydrophobicContact CD1-CB 4.34Å; L325-I345 HydrophobicContact CD1-CD1 3.32Å; L325-I345 HydrophobicContact CD1-CG1 4.35Å; L325-I345 HydrophobicContact CG-CD1 4.19Å; T328-I345 HydrophobicContact CG2-CD1 3.68Å; L343-I345 WeakPolarHBondContact O-CG1 3.28Å; L343-I345 PolarHBondContact O-N 3.39Å
346	F	60.8	Low	57.8	Low	101 Å²	101	86.5 Å²	86.5	44%	0.443	47%	0.467	S	S	.	.			trans	-137.7	73.3	-179.8	-61.1	-74.8	0	0	0	113	S96 M97 N348	S96-F346 PolarHBondContact O-N 2.97Å; M97-F346 HydrophobicContact CE-CB 3.94Å; M97-F346 HydrophobicContact SD-CB 3.8Å; M97-F346 HydrophobicContact SD-CD2 3.74Å; M97-F346 HydrophobicContact SD-CG 4.21Å; F346-N348 PolarHBondContact O-N 3Å; F346-N348 VanDerWaalsContact O-N 3.16Å
347	P	49.6	Very low	56.7	Low	71 Å²	71	85.2 Å²	85.2	46%	0.461	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-18.3	-176.9	25.7	-32.4	0	0	0	114.3	T344	T344-P347 HydrophobicContact CG2-CB 4.02Å; T344-P347 HydrophobicContact CG2-CG 4.42Å
348	N	44.5	Very low	55.7	Low	150 Å²	150	84.8 Å²	84.8	80%	0.802	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	2.1	-162.4	-71.8	-17.2	0	0	0	116.1	F346 R350	F346-N348 PolarHBondContact O-N 3Å; F346-N348 VanDerWaalsContact O-N 3.16Å; N348-R350 PolarHBondContact O-N 3.39Å
349	E	49.6	Very low	54.8	Low	138 Å²	138	87.4 Å²	87.4	65%	0.645	46%	0.462	S	S	*	.			trans	-97.9	51.5	-178.7	-66.2	-171.1	174.1	0	0	112.8
350	R	50.3	Low	53.6	Low	51 Å²	51	88.4 Å²	88.4	19%	0.192	47%	0.467	C	S	.	.			trans	-95.8	124	175.8	-55.2	-164.8	179.5	-146.3	5.6	110.9	N79 G98 M303 V312 N348 G352	N79-R350 PolarHBondContact OD1-NH1 3.36Å; N79-R350 PolarHBondContact OD1-NH2 3.45Å; G98-R350 PolarHBondContact O-NH2 3.08Å; M303-R350 VanDerWaalsContact CB-NH1 3.29Å; M303-R350 PolarHBondContact SD-NH1 3.06Å; V312-R350 HydrophobicContact CG2-CB 4.27Å; V312-R350 HydrophobicContact CG2-CG 3.7Å; N348-R350 PolarHBondContact O-N 3.39Å; R350-G352 PolarHBondContact O-N 3.41Å
351	K	51.2	Low	52.3	Low	114 Å²	114	93.6 Å²	93.6	50%	0.496	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	112.9	167.4	-72.2	174.6	-172.3	149.7	0	108.3	V311 D316	V311-K351 PolarHBondContact N-O 3.27Å; V311-K351 VanDerWaalsContact N-O 3.16Å; V311-K351 PolarHBondContact O-N 3.37Å; D316-K351 IonicContact OD2-NZ 3.09Å
352	G	44.5	Very low	51.4	Low	58 Å²	58	95.9 Å²	95.9	60%	0.598	50%	0.501	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	133.3	175.6	0	0	0	0	0	111.4	R350	R350-G352 PolarHBondContact O-N 3.41Å
353	F	41.5	Very low	50.2	Low	105 Å²	105	98.2 Å²	98.2	46%	0.461	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	125.7	163.4	-75.6	-85.8	0	0	0	108	I309 V311	I309-F353 HydrophobicContact CG1-CB 4.27Å; I309-F353 PolarHBondContact O-N 3.39Å; V311-F353 HydrophobicContact CB-CD2 4.4Å; V311-F353 HydrophobicContact CB-CE2 4.5Å; V311-F353 HydrophobicContact CG2-CD2 3.95Å; V311-F353 HydrophobicContact CG2-CE2 4.31Å
354	R	32.6	Very low	48.5	Very low	234 Å²	234	105.5 Å²	105.5	88%	0.883	55%	0.55	S	S	*	*			trans	-79.4	120.4	160.5	-72.8	-175.2	178.4	-170.7	-1	106.4
355	T	40.2	Very low	46.8	Very low	76 Å²	76	111.8 Å²	111.8	47%	0.466	58%	0.581	S	S	.	*			trans	-59.9	137.4	162	47.3	0	0	0	0	107.8	I309	I309-T355 HydrophobicContact CD1-CG2 3.7Å; I309-T355 HydrophobicContact CG1-CG2 3.95Å; I309-T355 HydrophobicContact CG2-CG2 4.44Å
356	P	34.6	Very low	45.4	Very low	201 Å²	201	118.1 Å²	118.1	100%	1.305	61%	0.614	S	S	*	*			trans	-53.3	0	176.1	-23.3	32.3	0	0	0	113.4

Retrieved 356 of 356 residues in 321.4 ms (Link to these results)

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