A0A077ZH74_TRITR Loading...

His Phos 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZH74, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 300 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	42.1	Very low	53.2	Low	249 Å²	249	134 Å²	134	100%	1.227	72%	0.717	S	S	*	*				0	119.6	0	-65.6	176.3	177.5	0	0	106.7
2	A	44.5	Very low	54	Low	92 Å²	92	132.3 Å²	132.3	76%	0.76	71%	0.707	S	S	*	*			cis	-143.7	126.7	-7.1	0	0	0	0	0	105.6	Q4	A2-Q4 PolarHBondContact O-N 3.34Å
3	K	49.2	Very low	54.8	Low	207 Å²	207	128.5 Å²	128.5	90%	0.9	69%	0.687	S	S	*	*			trans	-78.2	105.9	168.3	-79.2	-178.8	174.5	-177.2	0	106.8	N5	K3-N5 PolarHBondContact O-N 3.17Å; K3-N5 VanDerWaalsContact O-N 3.17Å
4	Q	51.5	Low	55.1	Low	185 Å²	185	128.2 Å²	128.2	86%	0.864	68%	0.679	S	S	*	*			trans	-71.3	102.6	169	-85.6	177.2	-20.2	0	0	108.6	A2 R6	A2-Q4 PolarHBondContact O-N 3.34Å; Q4-R6 PolarHBondContact O-N 3.49Å
5	N	48	Very low	55.7	Low	144 Å²	144	127 Å²	127	77%	0.77	68%	0.678	S	S	*	*			trans	-59.4	122.2	164.8	-86.9	-14.7	0	0	0	108.8	K3 P7	K3-N5 PolarHBondContact O-N 3.17Å; K3-N5 VanDerWaalsContact O-N 3.17Å; N5-P7 WeakPolarHBondContact O-CD 3.42Å
6	R	55.6	Low	56	Low	161 Å²	161	125.5 Å²	125.5	61%	0.608	67%	0.67	S	S	*	*			trans	-90.4	108.1	172.5	-78.3	-176.3	-70.3	-173.7	3	109.1	Q4 A8 E9	Q4-R6 PolarHBondContact O-N 3.49Å; R6-A8 PolarHBondContact O-N 3.09Å; R6-A8 VanDerWaalsContact O-N 3.13Å; R6-E9 IonicContact CZ-OE1 3.87Å; R6-E9 IonicContact CZ-OE2 3.46Å; R6-E9 IonicContact NE-OE1 3.76Å; R6-E9 IonicContact NE-OE2 3.49Å; R6-E9 PolarHBondContact NE-OE2 3.23Å; R6-E9 VanDerWaalsContact NE-OE2 3.08Å; R6-E9 IonicContact NH2-OE1 3.97Å; R6-E9 PolarHBondContact NH2-OE1 3.28Å; R6-E9 IonicContact NH2-OE2 2.95Å; R6-E9 PolarHBondContact NH2-OE2 3.07Å; R6-E9 PolarHBondContact O-N 3.19Å
7	P	57.1	Low	56.1	Low	109 Å²	109	125.6 Å²	125.6	71%	0.708	67%	0.665	S	S	*	*	H	α-helix	trans	-61.8	-21.8	-178.3	-20.5	33	0	0	0	113.8	N5 A11	N5-P7 WeakPolarHBondContact O-CD 3.42Å; P7-A11 PolarHBondContact O-N 3.5Å
8	A	56.2	Low	55.7	Low	77 Å²	77	126.7 Å²	126.7	64%	0.636	67%	0.671	S	S	*	*	H	α-helix	trans	-75.4	-32.9	-177.7	0	0	0	0	0	113.9	R6 A11 L12	R6-A8 PolarHBondContact O-N 3.09Å; R6-A8 VanDerWaalsContact O-N 3.13Å; A8-A11 PolarHBondContact O-N 3.08Å; A8-L12 PolarHBondContact O-N 3.25Å
9	E	54.3	Low	55.4	Low	102 Å²	102	124.9 Å²	124.9	48%	0.477	67%	0.67	S	S	.	*	H	α-helix	trans	-65.7	-42.1	175.4	-78.4	173.4	150	0	0	109.8	R6 A11 L12 D13	R6-E9 IonicContact CZ-OE1 3.87Å; R6-E9 IonicContact CZ-OE2 3.46Å; R6-E9 IonicContact NE-OE1 3.76Å; R6-E9 IonicContact NE-OE2 3.49Å; R6-E9 PolarHBondContact NE-OE2 3.23Å; R6-E9 VanDerWaalsContact NE-OE2 3.08Å; R6-E9 IonicContact NH2-OE1 3.97Å; R6-E9 PolarHBondContact NH2-OE1 3.28Å; R6-E9 IonicContact NH2-OE2 2.95Å; R6-E9 PolarHBondContact NH2-OE2 3.07Å; R6-E9 PolarHBondContact O-N 3.19Å; E9-A11 PolarHBondContact O-N 3.46Å; E9-L12 PolarHBondContact O-N 3.41Å; E9-D13 PolarHBondContact O-N 3.17Å
10	N	60.9	Low	55	Low	98 Å²	98	128.3 Å²	128.3	52%	0.524	67%	0.673	S	S	.	*	H	α-helix	trans	-66.9	-31	176.1	-79	-6.3	0	0	0	114	Q14	N10-Q14 WeakPolarHBondContact O-CB 3.33Å; N10-Q14 VanDerWaalsContact O-CG 3.23Å; N10-Q14 WeakPolarHBondContact O-CG 3.39Å; N10-Q14 PolarHBondContact O-N 2.77Å
11	A	65.4	Low	54.3	Low	50 Å²	50	131 Å²	131	41%	0.413	68%	0.682	S	S	.	*	H	α-helix	trans	-72.2	-38	178.9	0	0	0	0	0	111.8	P7 A8 E9 Q14 V15	P7-A11 PolarHBondContact O-N 3.5Å; A8-A11 PolarHBondContact O-N 3.08Å; E9-A11 PolarHBondContact O-N 3.46Å; A11-Q14 PolarHBondContact O-N 3.24Å; A11-V15 VanDerWaalsContact O-CG2 3.31Å; A11-V15 WeakPolarHBondContact O-CG2 3.36Å; A11-V15 PolarHBondContact O-N 3.39Å; A11-V15 VanDerWaalsContact O-N 3.08Å
12	L	63.7	Low	54.3	Low	113 Å²	113	124.5 Å²	124.5	59%	0.592	66%	0.661	S	S	*	*	H	α-helix	trans	-68.1	-43.1	176.8	-162.5	76	0	0	0	111	A8 E9 Q14 V15 L16	A8-L12 PolarHBondContact O-N 3.25Å; E9-L12 PolarHBondContact O-N 3.41Å; L12-Q14 PolarHBondContact O-N 3.29Å; L12-V15 PolarHBondContact O-N 3.22Å; L12-L16 HydrophobicContact CG-CD1 4.29Å; L12-L16 VanDerWaalsContact O-CG 3.31Å; L12-L16 WeakPolarHBondContact O-CG 3.31Å; L12-L16 PolarHBondContact O-N 3.1Å
13	D	64.5	Low	54.2	Low	84 Å²	84	125.4 Å²	125.4	45%	0.449	66%	0.662	S	S	.	*	H	α-helix	trans	-63.3	-40	176.2	-72.9	-22	0	0	0	111.7	E9 V15 L16 E17	E9-D13 PolarHBondContact O-N 3.17Å; D13-V15 PolarHBondContact O-N 2.92Å; D13-L16 PolarHBondContact O-N 3.16Å; D13-E17 WeakPolarHBondContact O-CB 3.36Å; D13-E17 WeakPolarHBondContact O-CG 3.23Å; D13-E17 PolarHBondContact O-N 3.32Å
14	Q	58.4	Low	53.7	Low	124 Å²	124	120.5 Å²	120.5	58%	0.579	65%	0.654	S	S	*	*	H	α-helix	trans	-65.7	-34.1	174.8	-78.5	176.9	0.1	0	0	113.6	N10 A11 L12 N18	N10-Q14 WeakPolarHBondContact O-CB 3.33Å; N10-Q14 VanDerWaalsContact O-CG 3.23Å; N10-Q14 WeakPolarHBondContact O-CG 3.39Å; N10-Q14 PolarHBondContact O-N 2.77Å; A11-Q14 PolarHBondContact O-N 3.24Å; L12-Q14 PolarHBondContact O-N 3.29Å; Q14-N18 WeakPolarHBondContact O-CB 3.31Å; Q14-N18 PolarHBondContact O-N 3Å; Q14-N18 PolarHBondContact O-ND2 3.48Å
15	V	63.8	Low	52.8	Low	110 Å²	110	123.4 Å²	123.4	67%	0.667	66%	0.657	S	S	*	*	H	α-helix	trans	-69.6	-36.6	173.9	170.3	0	0	0	0	110.9	A11 L12 D13	A11-V15 VanDerWaalsContact O-CG2 3.31Å; A11-V15 WeakPolarHBondContact O-CG2 3.36Å; A11-V15 PolarHBondContact O-N 3.39Å; A11-V15 VanDerWaalsContact O-N 3.08Å; L12-V15 PolarHBondContact O-N 3.22Å; D13-V15 PolarHBondContact O-N 2.92Å
16	L	60.5	Low	52	Low	103 Å²	103	121.1 Å²	121.1	54%	0.539	65%	0.652	S	S	.	*	H	α-helix	trans	-75.8	-37	178.6	-68.2	168.9	0	0	0	112.6	L12 D13 S19	L12-L16 HydrophobicContact CG-CD1 4.29Å; L12-L16 VanDerWaalsContact O-CG 3.31Å; L12-L16 WeakPolarHBondContact O-CG 3.31Å; L12-L16 PolarHBondContact O-N 3.1Å; D13-L16 PolarHBondContact O-N 3.16Å; L16-S19 PolarHBondContact O-OG 3.05Å
17	E	58.3	Low	51.1	Low	127 Å²	127	119.7 Å²	119.7	59%	0.593	66%	0.657	S	S	*	*	H	α-helix	trans	-74.7	-30.9	-179	-76.9	-174.9	157.4	0	0	113.6	D13 S19 R20	D13-E17 WeakPolarHBondContact O-CB 3.36Å; D13-E17 WeakPolarHBondContact O-CG 3.23Å; D13-E17 PolarHBondContact O-N 3.32Å; E17-S19 PolarHBondContact O-N 2.86Å; E17-S19 VanDerWaalsContact O-N 3.07Å; E17-R20 PolarHBondContact O-N 3.22Å
18	N	49	Very low	50.1	Low	145 Å²	145	127.1 Å²	127.1	78%	0.775	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	-3.1	179.5	-82.9	-25.4	0	0	0	114.8	Q14	Q14-N18 WeakPolarHBondContact O-CB 3.31Å; Q14-N18 PolarHBondContact O-N 3Å; Q14-N18 PolarHBondContact O-ND2 3.48Å
19	S	50.2	Low	49.7	Very low	93 Å²	93	129 Å²	129	65%	0.65	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-10.1	175.7	68.3	0	0	0	0	114.1	L16 E17 Q21	L16-S19 PolarHBondContact O-OG 3.05Å; E17-S19 PolarHBondContact O-N 2.86Å; E17-S19 VanDerWaalsContact O-N 3.07Å; S19-Q21 PolarHBondContact O-N 2.82Å; S19-Q21 VanDerWaalsContact O-N 3.1Å
20	R	47.2	Very low	49.7	Very low	193 Å²	193	129.2 Å²	129.2	73%	0.728	68%	0.676	S	S	*	*			trans	-88.5	74.4	-177	-66.5	-177.5	178	172	1.7	111.3	E17 S22	E17-R20 PolarHBondContact O-N 3.22Å; R20-S22 PolarHBondContact O-N 3.41Å; R20-S22 VanDerWaalsContact O-N 3.09Å
21	Q	40.9	Very low	49.7	Very low	185 Å²	185	127.7 Å²	127.7	86%	0.864	68%	0.677	S	S	*	*			trans	-70.2	103.6	162.6	-79.2	-175.8	-0.7	0	0	109.2	S19 S23	S19-Q21 PolarHBondContact O-N 2.82Å; S19-Q21 VanDerWaalsContact O-N 3.1Å; Q21-S23 PolarHBondContact O-N 3.27Å; Q21-S23 VanDerWaalsContact O-N 3.16Å
22	S	42	Very low	50.7	Low	113 Å²	113	128 Å²	128	79%	0.79	67%	0.669	S	S	*	*			trans	-61.2	111.8	168	60.6	0	0	0	0	109.2	R20 S24	R20-S22 PolarHBondContact O-N 3.41Å; R20-S22 VanDerWaalsContact O-N 3.09Å; S22-S24 PolarHBondContact O-N 3.18Å
23	S	42.4	Very low	52.2	Low	111 Å²	111	123.6 Å²	123.6	78%	0.776	65%	0.645	S	S	*	*			trans	-69.1	123.4	163.7	61.8	0	0	0	0	108.5	Q21 R25	Q21-S23 PolarHBondContact O-N 3.27Å; Q21-S23 VanDerWaalsContact O-N 3.16Å; S23-R25 PolarHBondContact O-N 3.36Å
24	S	38.1	Very low	53.6	Low	103 Å²	103	123.1 Å²	123.1	72%	0.72	64%	0.637	S	S	*	*			trans	-64.6	129.5	-174.4	50	0	0	0	0	111.6	S22 S26	S22-S24 PolarHBondContact O-N 3.18Å; S24-S26 PolarHBondContact O-N 3.13Å; S24-S26 VanDerWaalsContact O-N 3.17Å
25	R	32.3	Very low	55.4	Low	246 Å²	246	117.2 Å²	117.2	93%	0.928	61%	0.609	S	S	*	*			trans	-66.7	98.9	165	-72.1	174	170.6	172.1	-2.4	110.2	S23	S23-R25 PolarHBondContact O-N 3.36Å
26	S	30.2	Very low	57	Low	96 Å²	96	112 Å²	112	67%	0.671	58%	0.577	S	S	*	*			trans	-161.6	77	159.6	62.5	0	0	0	0	112.2	S24	S24-S26 PolarHBondContact O-N 3.13Å; S24-S26 VanDerWaalsContact O-N 3.17Å
27	D	37.4	Very low	58.8	Low	132 Å²	132	107 Å²	107	71%	0.706	55%	0.552	S	S	*	*			trans	-160.7	96	137.7	-115	-24.3	0	0	0	108.4	M29	D27-M29 HydrophobicContact CB-CG 4.19Å; D27-M29 HydrophobicContact CB-SD 4.33Å; D27-M29 PolarHBondContact O-N 3.05Å
28	R	36.9	Very low	60.7	Low	264 Å²	264	101 Å²	101	100%	0.996	52%	0.524	S	S	*	.			trans	-75.6	64.2	162.1	-84.6	-175.4	171.5	-179.7	-2.3	107.7
29	M	47.8	Very low	63	Low	117 Å²	117	96.3 Å²	96.3	58%	0.576	50%	0.495	S	S	*	.			trans	-83.8	145.4	165.5	-79.6	176.6	55	0	0	108.3	D27 A31	D27-M29 HydrophobicContact CB-CG 4.19Å; D27-M29 HydrophobicContact CB-SD 4.33Å; D27-M29 PolarHBondContact O-N 3.05Å; M29-A31 PolarHBondContact O-N 3.08Å
30	V	54.2	Low	65.3	Low	107 Å²	107	92.1 Å²	92.1	65%	0.648	47%	0.465	S	S	*	.			trans	-30.1	121	178.3	176.8	0	0	0	0	110.7	H32	V30-H32 PolarHBondContact O-CD2 2.81Å; V30-H32 VanDerWaalsContact O-CG 3.26Å; V30-H32 PolarHBondContact O-N 3.32Å; V30-H32 PolarHBondContact O-NE2 3.06Å
31	A	61.4	Low	67.7	Low	66 Å²	66	82.9 Å²	82.9	55%	0.545	43%	0.43	S	S	.	.			trans	-63.3	93.6	-169.8	0	0	0	0	0	110.4	M29 T221 G222	M29-A31 PolarHBondContact O-N 3.08Å; A31-T221 WeakPolarHBondContact O-CG2 3.32Å; A31-G222 VanDerWaalsContact O-CA 3.27Å; A31-G222 WeakPolarHBondContact O-CA 3.43Å; A31-G222 PolarHBondContact O-N 3.39Å
32	H	84.6	Confident	70.4	Confident	55 Å²	55	75 Å²	75	26%	0.255	39%	0.393	S	S	.	.			trans	-91.2	161.1	180	-65.9	-60.3	0	0	0	111.1	V30 E268 V269	V30-H32 PolarHBondContact O-CD2 2.81Å; V30-H32 VanDerWaalsContact O-CG 3.26Å; V30-H32 PolarHBondContact O-N 3.32Å; V30-H32 PolarHBondContact O-NE2 3.06Å; H32-E268 HydrophobicContact CB-CB 4.01Å; H32-E268 HydrophobicContact CB-CG 4.4Å; H32-E268 WeakPolarHBondContact CB-O 3.47Å; H32-E268 PolarHBondContact CD2-O 2.77Å; H32-V269 PolarHBondContact NE2-O 2.81Å
33	R	95	Very high	73	Confident	21 Å²	21	71 Å²	71	8%	0.079	36%	0.362	C	S	.	.			trans	-69.7	146.8	-179.2	-67.8	174.7	-69.4	179.9	1.6	110.9	M216 I219 P220 A223 E268 W274	R33-M216 PolarHBondContact NH1-O 3.35Å; R33-I219 WeakPolarHBondContact CD-O 3.23Å; R33-I219 HydrophobicContact CG-CG2 4.27Å; R33-P220 VanDerWaalsContact CG-O 3.3Å; R33-P220 WeakPolarHBondContact CG-O 3.23Å; R33-A223 WeakPolarHBondContact CA-O 3.46Å; R33-E268 HydrophobicContact CB-CB 4.38Å; R33-E268 IonicContact CZ-OE1 3.43Å; R33-E268 IonicContact CZ-OE2 3.05Å; R33-E268 IonicContact NE-OE1 3.26Å; R33-E268 IonicContact NE-OE2 2.69Å; R33-E268 PolarHBondContact NE-OE2 3.38Å; R33-E268 IonicContact NH2-OE1 2.6Å; R33-E268 PolarHBondContact NH2-OE1 2.92Å; R33-E268 IonicContact NH2-OE2 2.77Å; R33-E268 PolarHBondContact NH2-OE2 2.84Å; R33-E268 WeakPolarHBondContact O-CB 3.5Å; R33-E268 PolarHBondContact O-N 2.87Å; R33-W274 HydrophobicContact CB-CH2 3.62Å; R33-W274 HydrophobicContact CB-CZ3 4.25Å; R33-W274 WeakPolarHBondContact O-CZ3 3.49Å
34	R	95.2	Very high	75.6	Confident	74 Å²	74	65.8 Å²	65.8	28%	0.279	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	138.2	168.7	174.6	171.7	-77.7	-177.6	-3	110	I36 A223 T224 V225 Y266 D267	R34-I36 HydrophobicContact CG-CD1 4.43Å; R34-I36 HydrophobicContact CG-CG1 4.22Å; R34-A223 PolarHBondContact N-O 3.3Å; R34-T224 HydrophobicContact CB-CG2 3.99Å; R34-T224 HydrophobicContact CG-CG2 3.88Å; R34-T224 CarbonylContact O-C 3.52Å; R34-T224 WeakPolarHBondContact O-CA 3.38Å; R34-V225 PolarHBondContact O-N 2.9Å; R34-Y266 WeakPolarHBondContact CA-O 3.38Å; R34-D267 WeakPolarHBondContact CG-OD1 3.37Å; R34-D267 IonicContact CZ-OD1 2.84Å; R34-D267 IonicContact CZ-OD2 3.64Å; R34-D267 IonicContact NE-OD1 3.53Å; R34-D267 PolarHBondContact NE-OD1 3.41Å; R34-D267 IonicContact NE-OD2 2.69Å; R34-D267 IonicContact NH2-OD1 3.79Å; R34-D267 PolarHBondContact NH2-OD1 3.5Å; R34-D267 VanDerWaalsContact NH2-OD1 3.16Å; R34-D267 IonicContact NH2-OD2 3.29Å; R34-D267 PolarHBondContact NH2-OD2 2.9Å
35	V	96.8	Very high	78.3	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	129.1	174.1	168.5	0	0	0	0	109.2	I37 M216 F227 F237 A265 Y266 W274	V35-I37 HydrophobicContact CG1-CD1 4.48Å; V35-I37 HydrophobicContact CG1-CG1 4.16Å; V35-M216 HydrophobicContact CG2-CE 3.62Å; V35-M216 HydrophobicContact CG2-SD 3.77Å; V35-F227 HydrophobicContact CB-CE2 4.47Å; V35-F227 HydrophobicContact CG1-CD2 3.72Å; V35-F227 HydrophobicContact CG1-CE2 3.56Å; V35-F227 HydrophobicContact CG2-CE2 4.24Å; V35-F237 HydrophobicContact CB-CD2 4.42Å; V35-F237 HydrophobicContact CB-CE1 4.4Å; V35-F237 HydrophobicContact CB-CE2 3.83Å; V35-F237 HydrophobicContact CB-CZ 3.8Å; V35-F237 HydrophobicContact CG1-CD2 3.75Å; V35-F237 HydrophobicContact CG1-CE2 3.59Å; V35-F237 HydrophobicContact CG1-CG 4.35Å; V35-F237 HydrophobicContact CG1-CZ 4.05Å; V35-F237 HydrophobicContact CG2-CE2 3.67Å; V35-F237 HydrophobicContact CG2-CZ 3.69Å; V35-A265 CarbonylContact O-C 3.19Å; V35-A265 VanDerWaalsContact O-CA 3.27Å; V35-A265 WeakPolarHBondContact O-CA 3.29Å; V35-Y266 PolarHBondContact N-O 3.37Å; V35-Y266 PolarHBondContact O-N 2.91Å; V35-W274 HydrophobicContact CB-CZ3 4.27Å; V35-W274 HydrophobicContact CG2-CH2 3.81Å; V35-W274 HydrophobicContact CG2-CZ3 3.8Å
36	I	97.3	Very high	81.3	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	130.8	174.3	-62.2	154.1	0	0	0	107.9	R34 Y109 I116 T224 V225 L226 F227 A263 I264 A265	R34-I36 HydrophobicContact CG-CD1 4.43Å; R34-I36 HydrophobicContact CG-CG1 4.22Å; I36-Y109 HydrophobicContact CD1-CE1 3.9Å; I36-I116 HydrophobicContact CD1-CD1 3.9Å; I36-T224 HydrophobicContact CD1-CG2 3.61Å; I36-T224 HydrophobicContact CG1-CG2 4.47Å; I36-V225 PolarHBondContact N-O 2.9Å; I36-L226 HydrophobicContact CB-CD1 4.02Å; I36-L226 HydrophobicContact CG2-CD1 3.62Å; I36-L226 CarbonylContact O-C 3.49Å; I36-L226 WeakPolarHBondContact O-CA 3.35Å; I36-F227 PolarHBondContact O-N 3.45Å; I36-A263 HydrophobicContact CG2-CB 4.04Å; I36-I264 CarbonylContact C-O 3.59Å; I36-I264 WeakPolarHBondContact CA-O 3.48Å; I36-A265 HydrophobicContact CG1-CB 4.18Å
37	I	97.5	Very high	84.3	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	124.5	175.6	-61.2	168.6	0	0	0	107.7	V35 F227 T229 F234 M236 F237 A263 I264 Y266	V35-I37 HydrophobicContact CG1-CD1 4.48Å; V35-I37 HydrophobicContact CG1-CG1 4.16Å; I37-F227 CarbonylContact C-O 3.55Å; I37-F227 WeakPolarHBondContact CA-O 3.17Å; I37-F227 HydrophobicContact CG1-CB 4.17Å; I37-F227 HydrophobicContact CG1-CD2 4.15Å; I37-T229 HydrophobicContact CG2-CG2 3.61Å; I37-F234 HydrophobicContact CG2-CD2 4.35Å; I37-F234 HydrophobicContact CG2-CE2 4.31Å; I37-M236 HydrophobicContact CD1-CE 3.7Å; I37-M236 HydrophobicContact CD1-CG 4.04Å; I37-M236 HydrophobicContact CG1-CE 4Å; I37-M236 HydrophobicContact CG2-CE 3.71Å; I37-F237 HydrophobicContact CD1-CB 3.64Å; I37-F237 HydrophobicContact CD1-CD2 4.41Å; I37-F237 HydrophobicContact CD1-CG 4.31Å; I37-A263 CarbonylContact O-C 3.57Å; I37-A263 WeakPolarHBondContact O-CA 3.37Å; I37-I264 HydrophobicContact CB-CD1 4.33Å; I37-I264 HydrophobicContact CB-CG1 3.83Å; I37-I264 HydrophobicContact CD1-CD1 4.39Å; I37-I264 PolarHBondContact N-O 2.74Å; I37-I264 PolarHBondContact O-N 3.17Å; I37-Y266 HydrophobicContact CD1-CE2 4.44Å
38	M	97.9	Very high	87.1	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	138.3	-174	-175.1	-178.6	-71.9	0	0	111	I105 Y109 F134 L226 F227 I228 T229 L261 H262 A263	M38-I105 HydrophobicContact CE-CG2 3.7Å; M38-I105 HydrophobicContact SD-CG2 4.27Å; M38-Y109 HydrophobicContact CE-CE2 3.89Å; M38-F134 HydrophobicContact CE-CD2 4.35Å; M38-F134 HydrophobicContact CE-CE2 4.09Å; M38-F134 HydrophobicContact SD-CD2 4.39Å; M38-L226 HydrophobicContact CB-CD1 3.98Å; M38-L226 HydrophobicContact CE-CD1 4.29Å; M38-F227 PolarHBondContact N-O 2.88Å; M38-I228 WeakPolarHBondContact O-CA 3.43Å; M38-T229 PolarHBondContact O-N 3.15Å; M38-L261 HydrophobicContact SD-CD2 4.08Å; M38-H262 WeakPolarHBondContact CA-O 3.46Å; M38-A263 HydrophobicContact CB-CB 4.25Å; M38-A263 HydrophobicContact CE-CB 4.22Å; M38-A263 HydrophobicContact CG-CB 4.41Å
39	R	97.5	Very high	89.8	Confident	46 Å²	46	39.4 Å²	39.4	17%	0.174	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	143.2	171.2	-170.5	-177.8	178.3	-169.5	-6.7	109.5	T229 F234 V258 P259 L261 H262	R39-T229 CarbonylContact C-O 3.59Å; R39-T229 WeakPolarHBondContact CA-O 3.12Å; R39-F234 HydrophobicContact CB-CE2 3.92Å; R39-F234 HydrophobicContact CB-CZ 3.89Å; R39-V258 HydrophobicContact CB-CG1 4.18Å; R39-V258 WeakPolarHBondContact CD-O 3.32Å; R39-V258 PolarHBondContact NH1-O 2.98Å; R39-P259 WeakPolarHBondContact CD-O 3.37Å; R39-L261 WeakPolarHBondContact O-CA 3.27Å; R39-L261 PolarHBondContact O-N 3.2Å; R39-H262 PolarHBondContact N-O 3.42Å
40	H	98.2	Very high	92	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.019	20%	0.199	C	C	.	.			trans	-52.7	162.7	168.3	68.1	76.3	0	0	0	112.9	R126 T229 H230 L261	H40-R126 HydrophobicContact CB-CB 4.47Å; H40-R126 HydrophobicContact CB-CG 4.25Å; H40-R126 PolarHBondContact CD2-NE 3.06Å; H40-R126 PolarHBondContact NE2-NE 2.86Å; H40-R126 VanDerWaalsContact NE2-NE 3.13Å; H40-T229 PolarHBondContact N-O 3.04Å; H40-H230 AromaticContact CD2-ND1 3.55Å; H40-H230 AromaticContact NE2-ND1 3.91Å; H40-L261 PolarHBondContact O-N 2.67Å
41	S	97.5	Very high	94	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.168	C	C	.	.			trans	-79.5	-177.8	177.8	-154.2	0	0	0	0	113.4	K43 L94 G98 T101 T130 Y260	S41-K43 PolarHBondContact O-N 2.89Å; S41-L94 WeakPolarHBondContact O-CD2 3.45Å; S41-G98 VanDerWaalsContact CB-O 3.23Å; S41-G98 WeakPolarHBondContact CB-O 3.45Å; S41-G98 VanDerWaalsContact OG-CA 3.24Å; S41-G98 WeakPolarHBondContact OG-CA 3.32Å; S41-G98 PolarHBondContact OG-O 3.21Å; S41-T101 PolarHBondContact OG-OG1 2.79Å; S41-T130 PolarHBondContact N-OG1 2.87Å; S41-Y260 WeakPolarHBondContact O-CD1 3.46Å
42	E	97.2	Very high	95.7	Very high	20 Å²	20	29 Å²	29	9%	0.093	14%	0.144	C	C	.	.			trans	-54.8	126.8	178.3	-175	-172.5	84.4	0	0	111.6	V47 N69 L94 T95 Y260 Y286	E42-V47 VanDerWaalsContact CD-CG2 3.46Å; E42-V47 HydrophobicContact CG-CG2 3.71Å; E42-N69 PolarHBondContact OE1-ND2 2.67Å; E42-L94 VanDerWaalsContact O-CA 3.3Å; E42-L94 WeakPolarHBondContact O-CA 3.27Å; E42-L94 VanDerWaalsContact O-CD2 3.23Å; E42-L94 WeakPolarHBondContact O-CD2 3.16Å; E42-T95 HydrophobicContact CG-CG2 3.96Å; E42-T95 PolarHBondContact O-N 2.77Å; E42-T95 PolarHBondContact O-OG1 3.16Å; E42-T95 VanDerWaalsContact OE1-CB 3.24Å; E42-T95 WeakPolarHBondContact OE1-CB 3.24Å; E42-T95 WeakPolarHBondContact OE1-CG2 3.4Å; E42-T95 PolarHBondContact OE1-OG1 3.47Å; E42-Y260 HydrophobicContact CB-CD2 3.97Å; E42-Y260 HydrophobicContact CB-CE2 3.88Å; E42-Y260 HydrophobicContact CG-CE2 3.99Å; E42-Y286 WeakPolarHBondContact CB-OH 2.77Å
43	K	96.8	Very high	96.2	Very high	29 Å²	29	33.4 Å²	33.4	13%	0.126	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-110.1	152.7	-178.8	57.5	171	-161	154.8	0	110.7	S41 D45 D46 P92 P93 R126	S41-K43 PolarHBondContact O-N 2.89Å; K43-D45 WeakPolarHBondContact CD-OD1 3.49Å; K43-D45 WeakPolarHBondContact CE-OD1 3.42Å; K43-D45 WeakPolarHBondContact CE-OD2 3.25Å; K43-D45 WeakPolarHBondContact CG-OD1 3.45Å; K43-D45 VanDerWaalsContact NZ-CG 3.33Å; K43-D45 IonicContact NZ-OD1 3.2Å; K43-D45 PolarHBondContact NZ-OD1 2.76Å; K43-D45 IonicContact NZ-OD2 3.42Å; K43-D45 PolarHBondContact NZ-OD2 2.96Å; K43-D45 PolarHBondContact O-N 3.46Å; K43-D46 WeakPolarHBondContact CE-OD1 3.26Å; K43-D46 WeakPolarHBondContact CE-OD2 3.48Å; K43-D46 HydrophobicContact CG-CB 4.07Å; K43-D46 VanDerWaalsContact CG-OD2 3.29Å; K43-D46 WeakPolarHBondContact CG-OD2 3.48Å; K43-D46 IonicContact NZ-OD1 3.78Å; K43-D46 PolarHBondContact NZ-OD1 3.36Å; K43-D46 PolarHBondContact O-N 2.99Å; K43-P92 HydrophobicContact CD-CG 4.26Å; K43-P93 WeakPolarHBondContact CA-O 3.5Å; K43-R126 HydrophobicContact CB-CB 4.3Å; K43-R126 VanDerWaalsContact CD-CD 3.49Å
44	C	97.5	Very high	96.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.1	-39.9	-170.1	-64.3	0	0	0	0	113.8	D46 V47 Y48 F51 M70 P71 P93 L94 T95	C44-D46 VanDerWaalsContact C-N 3.3Å; C44-D46 PolarHBondContact O-N 2.96Å; C44-V47 PolarHBondContact O-N 3.48Å; C44-V47 VanDerWaalsContact O-N 3.16Å; C44-Y48 PolarHBondContact O-N 3.35Å; C44-F51 HydrophobicContact CB-CB 4.38Å; C44-F51 HydrophobicContact CB-CD1 4.13Å; C44-F51 HydrophobicContact CB-CD2 3.88Å; C44-F51 HydrophobicContact CB-CE1 4.4Å; C44-F51 HydrophobicContact CB-CE2 4.15Å; C44-F51 HydrophobicContact CB-CG 3.86Å; C44-F51 HydrophobicContact CB-CZ 4.39Å; C44-M70 HydrophobicContact CB-CE 4.28Å; C44-M70 HydrophobicContact CB-SD 4.04Å; C44-P71 VanDerWaalsContact SG-CD 3.54Å; C44-P93 PolarHBondContact N-O 3.37Å; C44-P93 PolarHBondContact SG-O 3.5Å; C44-L94 PolarHBondContact SG-O 3.05Å; C44-T95 HydrophobicContact CB-CG2 4.47Å
45	D	95.8	Very high	96.3	Very high	30 Å²	30	32.2 Å²	32.2	16%	0.16	17%	0.165	C	C	.	.	H	α-helix	trans	-71.8	-20	-178.7	65	-40.1	0	0	0	114	K43 Y48 P49 F51 P92	K43-D45 WeakPolarHBondContact CD-OD1 3.49Å; K43-D45 WeakPolarHBondContact CE-OD1 3.42Å; K43-D45 WeakPolarHBondContact CE-OD2 3.25Å; K43-D45 WeakPolarHBondContact CG-OD1 3.45Å; K43-D45 VanDerWaalsContact NZ-CG 3.33Å; K43-D45 IonicContact NZ-OD1 3.2Å; K43-D45 PolarHBondContact NZ-OD1 2.76Å; K43-D45 IonicContact NZ-OD2 3.42Å; K43-D45 PolarHBondContact NZ-OD2 2.96Å; K43-D45 PolarHBondContact O-N 3.46Å; D45-Y48 WeakPolarHBondContact CA-O 3.48Å; D45-P49 VanDerWaalsContact O-CA 3.27Å; D45-P49 WeakPolarHBondContact O-CA 3.41Å; D45-F51 HydrophobicContact CB-CD1 4.15Å; D45-F51 HydrophobicContact CB-CE1 4.08Å; D45-P92 HydrophobicContact CB-CB 4.12Å; D45-P92 HydrophobicContact CB-CG 4.22Å; D45-P92 WeakPolarHBondContact OD1-CB 3.5Å; D45-P92 WeakPolarHBondContact OD1-CG 3.48Å
46	D	94	Very high	96.3	Very high	72 Å²	72	32.7 Å²	32.7	39%	0.385	17%	0.167	S	C	.	.	H	α-helix	trans	-77	-25.7	171.3	-75.8	-17	0	0	0	111.8	K43 C44 Y260	K43-D46 WeakPolarHBondContact CE-OD1 3.26Å; K43-D46 WeakPolarHBondContact CE-OD2 3.48Å; K43-D46 HydrophobicContact CG-CB 4.07Å; K43-D46 VanDerWaalsContact CG-OD2 3.29Å; K43-D46 WeakPolarHBondContact CG-OD2 3.48Å; K43-D46 IonicContact NZ-OD1 3.78Å; K43-D46 PolarHBondContact NZ-OD1 3.36Å; K43-D46 PolarHBondContact O-N 2.99Å; C44-D46 VanDerWaalsContact C-N 3.3Å; C44-D46 PolarHBondContact O-N 2.96Å; D46-Y260 WeakPolarHBondContact CB-OH 3.47Å; D46-Y260 WeakPolarHBondContact OD2-CE1 3.2Å; D46-Y260 PolarHBondContact OD2-OH 3.47Å
47	V	94.3	Very high	96.1	Very high	49 Å²	49	35.6 Å²	35.6	30%	0.297	19%	0.186	S	C	.	.	H	α-helix	trans	-88.4	-47.8	176	-176.9	0	0	0	0	111	E42 C44 M70 T95	E42-V47 VanDerWaalsContact CD-CG2 3.46Å; E42-V47 HydrophobicContact CG-CG2 3.71Å; C44-V47 PolarHBondContact O-N 3.48Å; C44-V47 VanDerWaalsContact O-N 3.16Å; V47-M70 HydrophobicContact CB-CE 4.16Å; V47-M70 HydrophobicContact CG1-CE 4.24Å; V47-T95 HydrophobicContact CG2-CG2 3.88Å
48	Y	94.8	Very high	95.7	Very high	45 Å²	45	44 Å²	44	18%	0.176	23%	0.232	C	C	.	.			trans	-131	97.3	176.3	-65.5	-75.8	0	0	0	109.2	C44 D45 D50 F51 L54 F66 D67 M70	C44-Y48 PolarHBondContact O-N 3.35Å; D45-Y48 WeakPolarHBondContact CA-O 3.48Å; Y48-D50 PolarHBondContact O-N 3.4Å; Y48-F51 VanDerWaalsContact O-CB 3.29Å; Y48-F51 WeakPolarHBondContact O-CB 3.37Å; Y48-F51 PolarHBondContact O-N 3.28Å; Y48-L54 HydrophobicContact CD1-CD1 3.91Å; Y48-L54 HydrophobicContact CG-CD1 4.25Å; Y48-F66 HydrophobicContact CD1-CE2 4.15Å; Y48-F66 AromaticContact CD2-CE2 3.69Å; Y48-F66 HydrophobicContact CD2-CE2 3.69Å; Y48-F66 AromaticContact CD2-CZ 3.98Å; Y48-F66 HydrophobicContact CD2-CZ 3.98Å; Y48-F66 HydrophobicContact CE1-CE2 4.29Å; Y48-F66 AromaticContact CE2-CE2 3.84Å; Y48-F66 HydrophobicContact CE2-CE2 3.84Å; Y48-F66 AromaticContact CG-CE2 3.86Å; Y48-F66 HydrophobicContact CG-CE2 3.86Å; Y48-F66 HydrophobicContact CG-CZ 4.1Å; Y48-D67 HydrophobicContact CE2-CB 3.91Å; Y48-D67 PolarHBondContact OH-OD2 2.94Å; Y48-M70 HydrophobicContact CD2-CE 3.44Å; Y48-M70 VanDerWaalsContact CD2-CE 3.44Å; Y48-M70 HydrophobicContact CD2-CG 4.24Å; Y48-M70 HydrophobicContact CD2-SD 3.81Å; Y48-M70 HydrophobicContact CE2-CE 3.93Å; Y48-M70 HydrophobicContact CE2-CG 4.43Å
49	P	94.6	Very high	95	Very high	91 Å²	91	46.7 Å²	46.7	59%	0.591	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-27.7	-179.7	-28.7	36.2	0	0	0	114.3	D45 Q89	D45-P49 VanDerWaalsContact O-CA 3.27Å; D45-P49 WeakPolarHBondContact O-CA 3.41Å; P49-Q89 PolarHBondContact O-NE2 2.99Å
50	D	94.3	Very high	94.7	Very high	63 Å²	63	45.8 Å²	45.8	34%	0.337	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	21.9	178.7	64.1	-27.5	0	0	0	113.4	Y48 V52 Q53 L54	Y48-D50 PolarHBondContact O-N 3.4Å; D50-V52 PolarHBondContact O-N 2.96Å; D50-Q53 HydrophobicContact CB-CB 4.44Å; D50-Q53 WeakPolarHBondContact O-CA 3.37Å; D50-Q53 WeakPolarHBondContact O-CB 3.27Å; D50-Q53 PolarHBondContact O-N 3.12Å; D50-L54 PolarHBondContact O-N 2.68Å; D50-L54 WeakPolarHBondContact OD1-CD1 3.43Å
51	F	96.5	Very high	94.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-52.9	-30.4	-175.6	79.3	-79.3	0	0	0	114.1	C44 D45 Y48 G55 F66 M70 L74 W88 P92	C44-F51 HydrophobicContact CB-CB 4.38Å; C44-F51 HydrophobicContact CB-CD1 4.13Å; C44-F51 HydrophobicContact CB-CD2 3.88Å; C44-F51 HydrophobicContact CB-CE1 4.4Å; C44-F51 HydrophobicContact CB-CE2 4.15Å; C44-F51 HydrophobicContact CB-CG 3.86Å; C44-F51 HydrophobicContact CB-CZ 4.39Å; D45-F51 HydrophobicContact CB-CD1 4.15Å; D45-F51 HydrophobicContact CB-CE1 4.08Å; Y48-F51 VanDerWaalsContact O-CB 3.29Å; Y48-F51 WeakPolarHBondContact O-CB 3.37Å; Y48-F51 PolarHBondContact O-N 3.28Å; F51-G55 WeakPolarHBondContact O-CA 3.05Å; F51-G55 PolarHBondContact O-N 2.91Å; F51-F66 HydrophobicContact CB-CE1 4.4Å; F51-F66 HydrophobicContact CB-CZ 4.07Å; F51-F66 WeakPolarHBondContact O-CE1 3.46Å; F51-M70 HydrophobicContact CB-SD 4.01Å; F51-L74 HydrophobicContact CD2-CD1 4.34Å; F51-L74 HydrophobicContact CE2-CD1 3.94Å; F51-W88 HydrophobicContact CZ-CB 4.4Å; F51-W88 WeakPolarHBondContact CZ-O 3.44Å; F51-P92 HydrophobicContact CE1-CB 3.94Å; F51-P92 HydrophobicContact CZ-CB 3.94Å
52	V	96.3	Very high	94.2	Very high	9 Å²	9	60.8 Å²	60.8	6%	0.055	33%	0.33	C	S	.	.	H	α-helix	trans	-68.7	-41.9	175	-179.7	0	0	0	0	110.8	D50 G55 F56 K85 W88 Q89	D50-V52 PolarHBondContact O-N 2.96Å; V52-G55 PolarHBondContact O-N 3.3Å; V52-F56 HydrophobicContact CG1-CD2 3.94Å; V52-F56 HydrophobicContact CG1-CE2 4.27Å; V52-F56 WeakPolarHBondContact O-CB 3.15Å; V52-F56 VanDerWaalsContact O-CD2 3.27Å; V52-F56 WeakPolarHBondContact O-CD2 3.31Å; V52-F56 PolarHBondContact O-N 2.78Å; V52-K85 HydrophobicContact CG1-CB 3.74Å; V52-K85 HydrophobicContact CG1-CG 4Å; V52-W88 HydrophobicContact CG2-CB 3.9Å; V52-Q89 HydrophobicContact CG2-CB 4.1Å
53	Q	95.5	Very high	94.2	Very high	148 Å²	148	60.8 Å²	60.8	69%	0.692	33%	0.329	S	S	*	.	H	α-helix	trans	-67.6	-43.7	178.5	-61.6	-179.5	0.3	0	0	111	D50 G55 F56	D50-Q53 HydrophobicContact CB-CB 4.44Å; D50-Q53 WeakPolarHBondContact O-CA 3.37Å; D50-Q53 WeakPolarHBondContact O-CB 3.27Å; D50-Q53 PolarHBondContact O-N 3.12Å; Q53-G55 VanDerWaalsContact C-N 3.33Å; Q53-G55 PolarHBondContact O-N 3.1Å; Q53-F56 CarbonylContact O-C 3.59Å; Q53-F56 PolarHBondContact O-N 3.43Å
54	L	95.6	Very high	94.2	Very high	69 Å²	69	62.9 Å²	62.9	36%	0.361	34%	0.344	S	S	.	.	H	α-helix	trans	-63.9	-39	175.6	-64.6	175.3	0	0	0	112.1	Y48 D50 F66	Y48-L54 HydrophobicContact CD1-CD1 3.91Å; Y48-L54 HydrophobicContact CG-CD1 4.25Å; D50-L54 PolarHBondContact O-N 2.68Å; D50-L54 WeakPolarHBondContact OD1-CD1 3.43Å; L54-F66 HydrophobicContact CB-CD1 3.71Å; L54-F66 HydrophobicContact CB-CD2 4.06Å; L54-F66 HydrophobicContact CB-CE1 3.5Å; L54-F66 HydrophobicContact CB-CE2 3.87Å; L54-F66 HydrophobicContact CB-CG 3.98Å; L54-F66 HydrophobicContact CB-CZ 3.57Å; L54-F66 HydrophobicContact CD1-CD2 4.22Å; L54-F66 HydrophobicContact CD1-CE2 3.58Å; L54-F66 HydrophobicContact CD1-CZ 3.77Å; L54-F66 HydrophobicContact CG-CE2 4.37Å; L54-F66 HydrophobicContact CG-CZ 4.34Å
55	G	96.7	Very high	94.1	Very high	0 Å²	0	66 Å²	66	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-74.6	-22.2	179.7	0	0	0	0	0	114.7	F51 V52 Q53 P57 Y63 V64	F51-G55 WeakPolarHBondContact O-CA 3.05Å; F51-G55 PolarHBondContact O-N 2.91Å; V52-G55 PolarHBondContact O-N 3.3Å; Q53-G55 VanDerWaalsContact C-N 3.33Å; Q53-G55 PolarHBondContact O-N 3.1Å; G55-P57 VanDerWaalsContact C-CD 3.49Å; G55-P57 VanDerWaalsContact O-CD 3.29Å; G55-P57 WeakPolarHBondContact O-CD 3.3Å; G55-Y63 CarbonylContact O-C 3.58Å; G55-Y63 VanDerWaalsContact O-CA 3.25Å; G55-Y63 WeakPolarHBondContact O-CA 3.33Å; G55-Y63 WeakPolarHBondContact O-CD2 2.9Å; G55-V64 PolarHBondContact O-N 2.97Å
56	F	96.1	Very high	94	Very high	10 Å²	10	68 Å²	68	4%	0.044	37%	0.366	C	S	.	.	S	Bend	trans	-118	73.1	177.8	-70.5	-89.4	0	0	0	110.1	V52 Q53 G59 G60 D61 Y63 L74 I81 K85	V52-F56 HydrophobicContact CG1-CD2 3.94Å; V52-F56 HydrophobicContact CG1-CE2 4.27Å; V52-F56 WeakPolarHBondContact O-CB 3.15Å; V52-F56 VanDerWaalsContact O-CD2 3.27Å; V52-F56 WeakPolarHBondContact O-CD2 3.31Å; V52-F56 PolarHBondContact O-N 2.78Å; Q53-F56 CarbonylContact O-C 3.59Å; Q53-F56 PolarHBondContact O-N 3.43Å; F56-G59 PolarHBondContact O-N 3.26Å; F56-G59 VanDerWaalsContact O-N 3.13Å; F56-G60 WeakPolarHBondContact CD1-O 3.41Å; F56-D61 WeakPolarHBondContact CE1-O 3.33Å; F56-Y63 HydrophobicContact CD2-CD2 4.24Å; F56-Y63 AromaticContact CE2-CD2 3.93Å; F56-Y63 HydrophobicContact CE2-CD2 3.93Å; F56-Y63 HydrophobicContact CZ-CD2 4.37Å; F56-L74 HydrophobicContact CE2-CD1 4.4Å; F56-I81 HydrophobicContact CE1-CD1 4.13Å; F56-K85 HydrophobicContact CD2-CG 4.07Å; F56-K85 HydrophobicContact CE2-CG 4.11Å; F56-K85 HydrophobicContact CG-CD 4.33Å; F56-K85 HydrophobicContact CG-CG 4.28Å; F56-K85 HydrophobicContact CZ-CG 4.33Å
57	P	92.6	Very high	94.1	Very high	61 Å²	61	66.3 Å²	66.3	40%	0.396	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-58.7	141.2	-171	24.4	-34.8	0	0	0	111.8	G55 G59 G60 V64	G55-P57 VanDerWaalsContact C-CD 3.49Å; G55-P57 VanDerWaalsContact O-CD 3.29Å; G55-P57 WeakPolarHBondContact O-CD 3.3Å; P57-G59 PolarHBondContact O-N 3Å; P57-G59 VanDerWaalsContact O-N 3.11Å; P57-G60 PolarHBondContact O-N 3.21Å; P57-V64 HydrophobicContact CG-CG2 4.22Å
58	N	89.5	Confident	94.1	Very high	178 Å²	178	71.1 Å²	71.1	95%	0.952	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	54.7	25.1	-177.8	-55.9	-42	0	0	0	114.2	G60	N58-G60 PolarHBondContact O-N 3.04Å
59	G	84.3	Confident	94.2	Very high	56 Å²	56	70.6 Å²	70.6	58%	0.577	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	71.8	14.8	-176.3	0	0	0	0	0	113.9	F56 P57 K85	F56-G59 PolarHBondContact O-N 3.26Å; F56-G59 VanDerWaalsContact O-N 3.13Å; P57-G59 PolarHBondContact O-N 3Å; P57-G59 VanDerWaalsContact O-N 3.11Å; G59-K85 PolarHBondContact O-NZ 2.95Å
60	G	90.5	Very high	94.4	Very high	28 Å²	28	66.3 Å²	66.3	29%	0.289	35%	0.353	S	S	.	.			trans	-56.8	166	179.6	0	0	0	0	0	113.8	F56 P57 N58 K85	F56-G60 WeakPolarHBondContact CD1-O 3.41Å; P57-G60 PolarHBondContact O-N 3.21Å; N58-G60 PolarHBondContact O-N 3.04Å; G60-K85 WeakPolarHBondContact O-CE 3.32Å; G60-K85 PolarHBondContact O-NZ 3.14Å
61	D	92.4	Very high	94.5	Very high	124 Å²	124	64 Å²	64	66%	0.663	34%	0.341	S	S	*	.	S	Bend	trans	-88.8	-13.6	-179	61	-4.5	0	0	0	113.7	F56 I81	F56-D61 WeakPolarHBondContact CE1-O 3.33Å; D61-I81 HydrophobicContact CB-CG1 4.13Å; D61-I81 WeakPolarHBondContact O-CD1 3.31Å
62	R	93.5	Very high	94.5	Very high	195 Å²	195	70.1 Å²	70.1	74%	0.736	37%	0.37	S	S	*	.	S	Bend	trans	-105.2	127.2	-178.3	-177.6	175.3	174.8	177.2	-0.9	111.4
63	Y	96.6	Very high	94.4	Very high	20 Å²	20	76.7 Å²	76.7	8%	0.078	40%	0.398	C	S	.	.			trans	-69.4	137.3	170.4	177.8	-95.6	0	0	0	111.5	G55 F56 Q65 M70 P71 L74	G55-Y63 CarbonylContact O-C 3.58Å; G55-Y63 VanDerWaalsContact O-CA 3.25Å; G55-Y63 WeakPolarHBondContact O-CA 3.33Å; G55-Y63 WeakPolarHBondContact O-CD2 2.9Å; F56-Y63 HydrophobicContact CD2-CD2 4.24Å; F56-Y63 AromaticContact CE2-CD2 3.93Å; F56-Y63 HydrophobicContact CE2-CD2 3.93Å; F56-Y63 HydrophobicContact CZ-CD2 4.37Å; Y63-Q65 HydrophobicContact CE1-CB 4.24Å; Y63-M70 WeakPolarHBondContact OH-CB 3.1Å; Y63-P71 WeakPolarHBondContact CE1-O 3.3Å; Y63-P71 PolarHBondContact OH-O 3.36Å; Y63-L74 HydrophobicContact CD1-CB 4.26Å; Y63-L74 HydrophobicContact CD1-CG 4.22Å; Y63-L74 HydrophobicContact CD2-CB 3.93Å; Y63-L74 HydrophobicContact CD2-CD1 3.48Å; Y63-L74 VanDerWaalsContact CD2-CD1 3.48Å; Y63-L74 HydrophobicContact CD2-CG 3.69Å; Y63-L74 HydrophobicContact CE1-CG 4.19Å; Y63-L74 HydrophobicContact CE2-CB 4.39Å; Y63-L74 HydrophobicContact CE2-CD1 3.37Å; Y63-L74 HydrophobicContact CE2-CG 3.65Å; Y63-L74 HydrophobicContact CG-CB 3.82Å; Y63-L74 HydrophobicContact CG-CD1 4.23Å; Y63-L74 HydrophobicContact CG-CG 3.95Å
64	V	96.2	Very high	94.3	Very high	73 Å²	73	70.3 Å²	70.3	44%	0.442	37%	0.368	S	S	.	.			trans	-125.9	124.6	173.5	-178.2	0	0	0	0	108.2	G55 P57 F66	G55-V64 PolarHBondContact O-N 2.97Å; P57-V64 HydrophobicContact CG-CG2 4.22Å; V64-F66 PolarHBondContact O-N 3.4Å
65	Q	96.8	Very high	94.2	Very high	66 Å²	66	71.2 Å²	71.2	31%	0.308	38%	0.378	S	S	.	.			trans	-66.3	115.6	172.3	-174.9	-174	28.5	0	0	109.2	Y63 D67 M70	Y63-Q65 HydrophobicContact CE1-CB 4.24Å; Q65-D67 VanDerWaalsContact CG-O 3.23Å; Q65-D67 WeakPolarHBondContact CG-O 3.02Å; Q65-D67 PolarHBondContact NE2-O 3.46Å; Q65-M70 HydrophobicContact CG-CB 4.39Å; Q65-M70 PolarHBondContact NE2-O 3.23Å
66	F	94.1	Very high	94	Very high	71 Å²	71	76.6 Å²	76.6	31%	0.311	40%	0.403	S	S	.	.			trans	-99.5	-16.4	-178.1	61.2	-90.5	0	0	0	113.5	Y48 F51 L54 V64 M70	Y48-F66 HydrophobicContact CD1-CE2 4.15Å; Y48-F66 AromaticContact CD2-CE2 3.69Å; Y48-F66 HydrophobicContact CD2-CE2 3.69Å; Y48-F66 AromaticContact CD2-CZ 3.98Å; Y48-F66 HydrophobicContact CD2-CZ 3.98Å; Y48-F66 HydrophobicContact CE1-CE2 4.29Å; Y48-F66 AromaticContact CE2-CE2 3.84Å; Y48-F66 HydrophobicContact CE2-CE2 3.84Å; Y48-F66 AromaticContact CG-CE2 3.86Å; Y48-F66 HydrophobicContact CG-CE2 3.86Å; Y48-F66 HydrophobicContact CG-CZ 4.1Å; F51-F66 HydrophobicContact CB-CE1 4.4Å; F51-F66 HydrophobicContact CB-CZ 4.07Å; F51-F66 WeakPolarHBondContact O-CE1 3.46Å; L54-F66 HydrophobicContact CB-CD1 3.71Å; L54-F66 HydrophobicContact CB-CD2 4.06Å; L54-F66 HydrophobicContact CB-CE1 3.5Å; L54-F66 HydrophobicContact CB-CE2 3.87Å; L54-F66 HydrophobicContact CB-CG 3.98Å; L54-F66 HydrophobicContact CB-CZ 3.57Å; L54-F66 HydrophobicContact CD1-CD2 4.22Å; L54-F66 HydrophobicContact CD1-CE2 3.58Å; L54-F66 HydrophobicContact CD1-CZ 3.77Å; L54-F66 HydrophobicContact CG-CE2 4.37Å; L54-F66 HydrophobicContact CG-CZ 4.34Å; V64-F66 PolarHBondContact O-N 3.4Å; F66-M70 HydrophobicContact CD1-CG 4.4Å; F66-M70 HydrophobicContact CD2-CG 4.44Å; F66-M70 HydrophobicContact CE1-CB 4.46Å; F66-M70 HydrophobicContact CE1-CG 3.77Å; F66-M70 HydrophobicContact CE1-SD 4.25Å; F66-M70 HydrophobicContact CE2-CG 3.82Å; F66-M70 HydrophobicContact CE2-SD 4.43Å; F66-M70 HydrophobicContact CZ-CG 3.45Å; F66-M70 VanDerWaalsContact CZ-CG 3.45Å; F66-M70 HydrophobicContact CZ-SD 3.73Å
67	D	94.7	Very high	93.9	Very high	36 Å²	36	78.6 Å²	78.6	19%	0.193	41%	0.411	C	S	.	.	S	Bend	trans	-141.8	141.8	177.6	-175.6	-64.4	0	0	0	108.9	Y48 Q65 N69 M70	Y48-D67 HydrophobicContact CE2-CB 3.91Å; Y48-D67 PolarHBondContact OH-OD2 2.94Å; Q65-D67 VanDerWaalsContact CG-O 3.23Å; Q65-D67 WeakPolarHBondContact CG-O 3.02Å; Q65-D67 PolarHBondContact NE2-O 3.46Å; D67-N69 PolarHBondContact O-N 2.8Å; D67-N69 WeakPolarHBondContact OD1-CA 3.28Å; D67-N69 VanDerWaalsContact OD1-CB 3.28Å; D67-N69 WeakPolarHBondContact OD1-CB 3.18Å; D67-N69 PolarHBondContact OD1-N 3.28Å; D67-M70 HydrophobicContact CB-CG 3.98Å; D67-M70 WeakPolarHBondContact O-CB 3.3Å; D67-M70 PolarHBondContact O-N 2.81Å
68	L	95.5	Very high	93.9	Very high	150 Å²	150	79.4 Å²	79.4	79%	0.785	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-18.1	-178.6	-70.7	179.8	0	0	0	113.6	M70 N96	L68-M70 VanDerWaalsContact C-N 3.35Å; L68-N96 PolarHBondContact O-ND2 2.8Å
69	N	96.6	Very high	94.1	Very high	35 Å²	35	80 Å²	80	19%	0.187	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-15.2	171.9	-160.3	26.4	0	0	0	112.5	E42 D67 T95 N96 M97	E42-N69 PolarHBondContact OE1-ND2 2.67Å; D67-N69 PolarHBondContact O-N 2.8Å; D67-N69 WeakPolarHBondContact OD1-CA 3.28Å; D67-N69 VanDerWaalsContact OD1-CB 3.28Å; D67-N69 WeakPolarHBondContact OD1-CB 3.18Å; D67-N69 PolarHBondContact OD1-N 3.28Å; N69-T95 CarbonylContact O-C 3.5Å; N69-T95 WeakPolarHBondContact O-CA 3.22Å; N69-T95 WeakPolarHBondContact O-CB 3.39Å; N69-T95 WeakPolarHBondContact OD1-CB 3.48Å; N69-N96 PolarHBondContact O-N 2.88Å; N69-M97 WeakPolarHBondContact OD1-CB 3.31Å; N69-M97 PolarHBondContact OD1-N 2.91Å
70	M	97.3	Very high	94.6	Very high	0 Å²	0	80.4 Å²	80.4	0%	0	40%	0.395	C	S	.	.	S	Bend	trans	-80.8	155.3	174.1	-63	-68	104.7	0	0	111.5	C44 V47 Y48 F51 Y63 Q65 F66 D67 L68 T95 N96	C44-M70 HydrophobicContact CB-CE 4.28Å; C44-M70 HydrophobicContact CB-SD 4.04Å; V47-M70 HydrophobicContact CB-CE 4.16Å; V47-M70 HydrophobicContact CG1-CE 4.24Å; Y48-M70 HydrophobicContact CD2-CE 3.44Å; Y48-M70 VanDerWaalsContact CD2-CE 3.44Å; Y48-M70 HydrophobicContact CD2-CG 4.24Å; Y48-M70 HydrophobicContact CD2-SD 3.81Å; Y48-M70 HydrophobicContact CE2-CE 3.93Å; Y48-M70 HydrophobicContact CE2-CG 4.43Å; F51-M70 HydrophobicContact CB-SD 4.01Å; Y63-M70 WeakPolarHBondContact OH-CB 3.1Å; Q65-M70 HydrophobicContact CG-CB 4.39Å; Q65-M70 PolarHBondContact NE2-O 3.23Å; F66-M70 HydrophobicContact CD1-CG 4.4Å; F66-M70 HydrophobicContact CD2-CG 4.44Å; F66-M70 HydrophobicContact CE1-CB 4.46Å; F66-M70 HydrophobicContact CE1-CG 3.77Å; F66-M70 HydrophobicContact CE1-SD 4.25Å; F66-M70 HydrophobicContact CE2-CG 3.82Å; F66-M70 HydrophobicContact CE2-SD 4.43Å; F66-M70 HydrophobicContact CZ-CG 3.45Å; F66-M70 VanDerWaalsContact CZ-CG 3.45Å; F66-M70 HydrophobicContact CZ-SD 3.73Å; D67-M70 HydrophobicContact CB-CG 3.98Å; D67-M70 WeakPolarHBondContact O-CB 3.3Å; D67-M70 PolarHBondContact O-N 2.81Å; L68-M70 VanDerWaalsContact C-N 3.35Å; M70-T95 HydrophobicContact CE-CG2 3.84Å; M70-N96 PolarHBondContact O-ND2 3.22Å
71	P	97	Very high	94.7	Very high	14 Å²	14	80.8 Å²	80.8	9%	0.091	39%	0.39	C	S	.	.			trans	-56.2	147.1	174.8	-25	34.9	0	0	0	111.7	C44 Y63 K73 L74 P93	C44-P71 VanDerWaalsContact SG-CD 3.54Å; Y63-P71 WeakPolarHBondContact CE1-O 3.3Å; Y63-P71 PolarHBondContact OH-O 3.36Å; P71-K73 VanDerWaalsContact C-N 3.25Å; P71-K73 PolarHBondContact O-N 2.85Å; P71-L74 HydrophobicContact CB-CD2 4.13Å; P71-L74 HydrophobicContact CG-CD2 4.1Å; P71-P93 HydrophobicContact CG-CG 4Å
72	E	96.1	Very high	94.9	Very high	130 Å²	130	79.1 Å²	79.1	61%	0.607	38%	0.381	S	S	*	.	S	Bend	trans	-64.8	-33.7	174.4	-170.5	-165.6	143.3	0	0	111.4
73	K	94.4	Very high	94.9	Very high	146 Å²	146	71 Å²	71	64%	0.635	35%	0.353	S	S	*	.			trans	-140.8	139.8	-175.3	-60.7	176	-173	165.1	0	110.3	P71	P71-K73 VanDerWaalsContact C-N 3.25Å; P71-K73 PolarHBondContact O-N 2.85Å
74	L	94.7	Very high	94.9	Very high	14 Å²	14	70 Å²	70	7%	0.073	35%	0.35	C	S	.	.			trans	-117.2	96.7	162.8	-66.3	-174.2	0	0	0	108.4	F51 F56 Y63 P71 W88 P93	F51-L74 HydrophobicContact CD2-CD1 4.34Å; F51-L74 HydrophobicContact CE2-CD1 3.94Å; F56-L74 HydrophobicContact CE2-CD1 4.4Å; Y63-L74 HydrophobicContact CD1-CB 4.26Å; Y63-L74 HydrophobicContact CD1-CG 4.22Å; Y63-L74 HydrophobicContact CD2-CB 3.93Å; Y63-L74 HydrophobicContact CD2-CD1 3.48Å; Y63-L74 VanDerWaalsContact CD2-CD1 3.48Å; Y63-L74 HydrophobicContact CD2-CG 3.69Å; Y63-L74 HydrophobicContact CE1-CG 4.19Å; Y63-L74 HydrophobicContact CE2-CB 4.39Å; Y63-L74 HydrophobicContact CE2-CD1 3.37Å; Y63-L74 HydrophobicContact CE2-CG 3.65Å; Y63-L74 HydrophobicContact CG-CB 3.82Å; Y63-L74 HydrophobicContact CG-CD1 4.23Å; Y63-L74 HydrophobicContact CG-CG 3.95Å; P71-L74 HydrophobicContact CB-CD2 4.13Å; P71-L74 HydrophobicContact CG-CD2 4.1Å; L74-W88 HydrophobicContact CB-CD2 4.39Å; L74-W88 HydrophobicContact CB-CZ2 4.17Å; L74-W88 HydrophobicContact CD1-CD2 4.36Å; L74-W88 HydrophobicContact CD1-CG 4.29Å; L74-W88 HydrophobicContact CD2-CD2 4.18Å; L74-W88 HydrophobicContact CD2-CE3 4.08Å; L74-W88 HydrophobicContact CD2-CH2 4.11Å; L74-W88 HydrophobicContact CD2-CZ2 4.22Å; L74-W88 HydrophobicContact CD2-CZ3 4.02Å; L74-P93 HydrophobicContact CD2-CG 3.88Å
75	P	92.5	Very high	94.8	Very high	88 Å²	88	67.8 Å²	67.8	57%	0.571	33%	0.334	S	S	*	.			trans	-57.8	151.6	176.8	-24.3	34	0	0	0	112	R77 W88	P75-R77 PolarHBondContact O-N 2.86Å; P75-W88 WeakPolarHBondContact O-CZ2 3.43Å; P75-W88 PolarHBondContact O-NE1 2.98Å
76	Q	92.9	Very high	94.7	Very high	114 Å²	114	70.4 Å²	70.4	53%	0.533	35%	0.346	S	S	.	.			trans	-67.7	127	173	-176.9	170	-7.4	0	0	109.8	H78 E79	Q76-H78 VanDerWaalsContact CD-O 3.32Å; Q76-H78 WeakPolarHBondContact CG-O 3.27Å; Q76-H78 PolarHBondContact NE2-O 2.99Å; Q76-E79 VanDerWaalsContact NE2-C 3.33Å; Q76-E79 PolarHBondContact NE2-O 2.7Å
77	R	93.3	Very high	94.8	Very high	51 Å²	51	67.3 Å²	67.3	19%	0.192	33%	0.333	C	S	.	.			trans	-96.1	-16.8	-177.4	-69.6	174	64.1	172.7	-0.2	113.5	P75 S84 D87 W88 D91 R168	P75-R77 PolarHBondContact O-N 2.86Å; R77-S84 PolarHBondContact N-OG 3.18Å; R77-D87 HydrophobicContact CB-CB 4.42Å; R77-D87 VanDerWaalsContact NH1-C 3.28Å; R77-D87 PolarHBondContact NH1-O 3.34Å; R77-W88 VanDerWaalsContact CD-CE2 3.41Å; R77-W88 HydrophobicContact CG-CH2 4.45Å; R77-W88 HydrophobicContact CG-CZ2 3.74Å; R77-D91 PolarHBondContact NH1-O 3.25Å; R77-D91 IonicContact NH2-OD2 2.67Å; R77-R168 PolarHBondContact NH2-O 3.48Å
78	H	92.9	Very high	94.9	Very high	78 Å²	78	66.2 Å²	66.2	36%	0.361	33%	0.326	S	S	.	.	S	Bend	trans	-147.3	147.6	-173.9	-172.1	-88	0	0	0	109.7	Q76 D80 T83	Q76-H78 VanDerWaalsContact CD-O 3.32Å; Q76-H78 WeakPolarHBondContact CG-O 3.27Å; Q76-H78 PolarHBondContact NE2-O 2.99Å; H78-D80 PolarHBondContact ND1-N 3.3Å; H78-D80 CarbonylContact O-C 3.59Å; H78-D80 PolarHBondContact O-N 2.77Å; H78-T83 HydrophobicContact CB-CG2 3.96Å; H78-T83 VanDerWaalsContact CG-CG2 3.46Å; H78-T83 WeakPolarHBondContact ND1-CB 3.34Å; H78-T83 WeakPolarHBondContact ND1-CG2 3.46Å
79	E	93.2	Very high	94.9	Very high	190 Å²	190	62.7 Å²	62.7	89%	0.888	31%	0.305	S	S	*	.	S	Bend	trans	-55.4	-39	-178.2	-63.8	-179	174.3	0	0	113	Q76	Q76-E79 VanDerWaalsContact NE2-C 3.33Å; Q76-E79 PolarHBondContact NE2-O 2.7Å
80	D	95	Very high	94.8	Very high	65 Å²	65	62 Å²	62	35%	0.348	30%	0.304	S	S	.	.	S	Bend	trans	-81.2	123.8	167.6	174.4	60.3	0	0	0	112	H78 N82 T83 S84	H78-D80 PolarHBondContact ND1-N 3.3Å; H78-D80 CarbonylContact O-C 3.59Å; H78-D80 PolarHBondContact O-N 2.77Å; D80-N82 PolarHBondContact O-N 3.4Å; D80-N82 PolarHBondContact OD2-N 3.27Å; D80-T83 WeakPolarHBondContact O-CB 3.48Å; D80-T83 PolarHBondContact O-N 3.03Å; D80-T83 VanDerWaalsContact OD2-CB 3.27Å; D80-T83 WeakPolarHBondContact OD2-CB 3.4Å; D80-T83 PolarHBondContact OD2-N 3.38Å; D80-T83 PolarHBondContact OD2-OG1 2.89Å; D80-S84 PolarHBondContact O-N 3.3Å
81	I	94	Very high	94.7	Very high	36 Å²	36	62 Å²	62	19%	0.185	31%	0.305	C	S	.	.	H	α-helix	trans	-66.2	-34.4	-176.7	-175	56.9	0	0	0	113.1	F56 D61 S84 K85	F56-I81 HydrophobicContact CE1-CD1 4.13Å; D61-I81 HydrophobicContact CB-CG1 4.13Å; D61-I81 WeakPolarHBondContact O-CD1 3.31Å; I81-S84 WeakPolarHBondContact O-CB 3.4Å; I81-S84 PolarHBondContact O-N 3.47Å; I81-K85 WeakPolarHBondContact O-CG 3.19Å; I81-K85 PolarHBondContact O-N 3.27Å
82	N	94.6	Very high	94.7	Very high	89 Å²	89	61.5 Å²	61.5	48%	0.476	30%	0.301	S	S	.	.	H	α-helix	trans	-69.7	-40.2	179	-67.9	-44.4	0	0	0	110.9	D80 S84 K85 Q86	D80-N82 PolarHBondContact O-N 3.4Å; D80-N82 PolarHBondContact OD2-N 3.27Å; N82-S84 VanDerWaalsContact C-N 3.32Å; N82-S84 PolarHBondContact O-N 3.03Å; N82-K85 WeakPolarHBondContact O-CB 3.44Å; N82-K85 PolarHBondContact O-N 3.17Å; N82-Q86 WeakPolarHBondContact O-CG 3.37Å; N82-Q86 PolarHBondContact O-N 2.96Å
83	T	95.3	Very high	94.8	Very high	25 Å²	25	55.4 Å²	55.4	15%	0.153	27%	0.273	C	S	.	.	H	α-helix	trans	-60.1	-43.3	171	-58.4	0	0	0	0	110.5	H78 D80 K85 Q86 D87 R168	H78-T83 HydrophobicContact CB-CG2 3.96Å; H78-T83 VanDerWaalsContact CG-CG2 3.46Å; H78-T83 WeakPolarHBondContact ND1-CB 3.34Å; H78-T83 WeakPolarHBondContact ND1-CG2 3.46Å; D80-T83 WeakPolarHBondContact O-CB 3.48Å; D80-T83 PolarHBondContact O-N 3.03Å; D80-T83 VanDerWaalsContact OD2-CB 3.27Å; D80-T83 WeakPolarHBondContact OD2-CB 3.4Å; D80-T83 PolarHBondContact OD2-N 3.38Å; D80-T83 PolarHBondContact OD2-OG1 2.89Å; T83-K85 PolarHBondContact O-N 3.18Å; T83-Q86 WeakPolarHBondContact O-CB 3.3Å; T83-Q86 PolarHBondContact O-N 3.4Å; T83-D87 PolarHBondContact O-N 3.15Å; T83-R168 VanDerWaalsContact CG2-CZ 3.41Å; T83-R168 PolarHBondContact O-NH2 3.41Å
84	S	95.2	Very high	95	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.7	-38.4	174.7	-174.9	0	0	0	0	113.1	R77 D80 I81 N82 D87 W88	R77-S84 PolarHBondContact N-OG 3.18Å; D80-S84 PolarHBondContact O-N 3.3Å; I81-S84 WeakPolarHBondContact O-CB 3.4Å; I81-S84 PolarHBondContact O-N 3.47Å; N82-S84 VanDerWaalsContact C-N 3.32Å; N82-S84 PolarHBondContact O-N 3.03Å; S84-D87 WeakPolarHBondContact O-CB 3.19Å; S84-D87 PolarHBondContact O-N 2.9Å; S84-W88 PolarHBondContact O-N 3.26Å; S84-W88 VanDerWaalsContact O-N 3.07Å
85	K	95.3	Very high	95.1	Very high	25 Å²	25	47.8 Å²	47.8	11%	0.109	24%	0.239	C	C	.	.	H	α-helix	trans	-64.8	-43	175.4	-73.7	169.4	-178.5	172.1	0	111.2	V52 F56 G59 G60 I81 N82 T83 D87 W88 Q89	V52-K85 HydrophobicContact CG1-CB 3.74Å; V52-K85 HydrophobicContact CG1-CG 4Å; F56-K85 HydrophobicContact CD2-CG 4.07Å; F56-K85 HydrophobicContact CE2-CG 4.11Å; F56-K85 HydrophobicContact CG-CD 4.33Å; F56-K85 HydrophobicContact CG-CG 4.28Å; F56-K85 HydrophobicContact CZ-CG 4.33Å; G59-K85 PolarHBondContact O-NZ 2.95Å; G60-K85 WeakPolarHBondContact O-CE 3.32Å; G60-K85 PolarHBondContact O-NZ 3.14Å; I81-K85 WeakPolarHBondContact O-CG 3.19Å; I81-K85 PolarHBondContact O-N 3.27Å; N82-K85 WeakPolarHBondContact O-CB 3.44Å; N82-K85 PolarHBondContact O-N 3.17Å; T83-K85 PolarHBondContact O-N 3.18Å; K85-D87 VanDerWaalsContact C-N 3.31Å; K85-D87 PolarHBondContact O-N 3.43Å; K85-W88 PolarHBondContact O-N 3.48Å; K85-Q89 PolarHBondContact O-N 3.06Å
86	Q	94.8	Very high	95.4	Very high	121 Å²	121	45.8 Å²	45.8	57%	0.565	22%	0.224	S	C	*	.	H	α-helix	trans	-62	-39.3	174.2	-69.3	170.1	5.9	0	0	111.8	N82 T83 Q89 A90	N82-Q86 WeakPolarHBondContact O-CG 3.37Å; N82-Q86 PolarHBondContact O-N 2.96Å; T83-Q86 WeakPolarHBondContact O-CB 3.3Å; T83-Q86 PolarHBondContact O-N 3.4Å; Q86-Q89 PolarHBondContact O-N 2.95Å; Q86-A90 WeakPolarHBondContact O-CB 3.44Å; Q86-A90 PolarHBondContact O-N 3.02Å
87	D	95.6	Very high	95.5	Very high	7 Å²	7	43.8 Å²	43.8	4%	0.037	22%	0.215	C	C	.	.	H	α-helix	trans	-61.8	-43	175.4	-79.2	-29.3	0	0	0	112.5	R77 T83 S84 K85 Q89 A90 D91 R168	R77-D87 HydrophobicContact CB-CB 4.42Å; R77-D87 VanDerWaalsContact NH1-C 3.28Å; R77-D87 PolarHBondContact NH1-O 3.34Å; T83-D87 PolarHBondContact O-N 3.15Å; S84-D87 WeakPolarHBondContact O-CB 3.19Å; S84-D87 PolarHBondContact O-N 2.9Å; K85-D87 VanDerWaalsContact C-N 3.31Å; K85-D87 PolarHBondContact O-N 3.43Å; D87-Q89 VanDerWaalsContact C-N 3.34Å; D87-A90 PolarHBondContact O-N 3.37Å; D87-D91 PolarHBondContact O-N 3.4Å; D87-R168 VanDerWaalsContact CG-NE 3.35Å; D87-R168 IonicContact OD1-CZ 3.09Å; D87-R168 IonicContact OD1-NE 2.74Å; D87-R168 PolarHBondContact OD1-NE 2.95Å; D87-R168 IonicContact OD1-NH2 2.77Å; D87-R168 PolarHBondContact OD1-NH2 3.02Å; D87-R168 IonicContact OD2-CZ 3.56Å; D87-R168 IonicContact OD2-NE 3.17Å; D87-R168 PolarHBondContact OD2-NE 3.48Å; D87-R168 IonicContact OD2-NH2 3.28Å; D87-R168 PolarHBondContact OD2-NH2 3.09Å
88	W	96.2	Very high	95.7	Very high	12 Å²	12	41.4 Å²	41.4	5%	0.045	21%	0.206	C	C	.	.	H	α-helix	trans	-62.3	-42.4	174.3	-74.8	122.4	0	0	0	111.9	F51 V52 L74 P75 R77 S84 K85 A90 D91 P92 P93 L125	F51-W88 HydrophobicContact CZ-CB 4.4Å; F51-W88 WeakPolarHBondContact CZ-O 3.44Å; V52-W88 HydrophobicContact CG2-CB 3.9Å; L74-W88 HydrophobicContact CB-CD2 4.39Å; L74-W88 HydrophobicContact CB-CZ2 4.17Å; L74-W88 HydrophobicContact CD1-CD2 4.36Å; L74-W88 HydrophobicContact CD1-CG 4.29Å; L74-W88 HydrophobicContact CD2-CD2 4.18Å; L74-W88 HydrophobicContact CD2-CE3 4.08Å; L74-W88 HydrophobicContact CD2-CH2 4.11Å; L74-W88 HydrophobicContact CD2-CZ2 4.22Å; L74-W88 HydrophobicContact CD2-CZ3 4.02Å; P75-W88 WeakPolarHBondContact O-CZ2 3.43Å; P75-W88 PolarHBondContact O-NE1 2.98Å; R77-W88 VanDerWaalsContact CD-CE2 3.41Å; R77-W88 HydrophobicContact CG-CH2 4.45Å; R77-W88 HydrophobicContact CG-CZ2 3.74Å; S84-W88 PolarHBondContact O-N 3.26Å; S84-W88 VanDerWaalsContact O-N 3.07Å; K85-W88 PolarHBondContact O-N 3.48Å; W88-A90 PolarHBondContact O-N 3.49Å; W88-D91 CarbonylContact O-C 3.47Å; W88-P92 WeakPolarHBondContact O-CA 3.09Å; W88-P93 HydrophobicContact CE3-CG 4.22Å; W88-P93 HydrophobicContact CZ3-CB 4.22Å; W88-P93 HydrophobicContact CZ3-CG 4.03Å; W88-L125 HydrophobicContact CE3-CD2 4.39Å; W88-L125 HydrophobicContact CH2-CD2 4.06Å; W88-L125 HydrophobicContact CZ3-CD2 3.42Å; W88-L125 VanDerWaalsContact CZ3-CD2 3.42Å
89	Q	95.1	Very high	96	Very high	76 Å²	76	39 Å²	39	36%	0.355	20%	0.195	S	C	.	.	H	α-helix	trans	-64.7	-38.8	177.1	-169.5	67.2	51.5	0	0	112.3	P49 V52 K85 Q86 D87	P49-Q89 PolarHBondContact O-NE2 2.99Å; V52-Q89 HydrophobicContact CG2-CB 4.1Å; K85-Q89 PolarHBondContact O-N 3.06Å; Q86-Q89 PolarHBondContact O-N 2.95Å; D87-Q89 VanDerWaalsContact C-N 3.34Å
90	A	94.3	Very high	96.2	Very high	20 Å²	20	36.9 Å²	36.9	17%	0.165	18%	0.183	C	C	.	.	H	α-helix	trans	-78.9	-31.6	-177.9	0	0	0	0	0	113.5	Q86 D87 W88 P165 P167	Q86-A90 WeakPolarHBondContact O-CB 3.44Å; Q86-A90 PolarHBondContact O-N 3.02Å; D87-A90 PolarHBondContact O-N 3.37Å; W88-A90 PolarHBondContact O-N 3.49Å; A90-P165 HydrophobicContact CB-CG 4.26Å; A90-P167 HydrophobicContact CB-CB 4.23Å; A90-P167 HydrophobicContact CB-CG 4.47Å; A90-P167 VanDerWaalsContact O-CG 3.32Å; A90-P167 WeakPolarHBondContact O-CG 3.25Å
91	D	96.3	Very high	96.2	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	17%	0.167	C	C	.	.	S	Bend	trans	-128.2	74.3	176.3	-165.4	25.2	0	0	0	110.9	R77 D87 W88 A124 L125 P167	R77-D91 PolarHBondContact NH1-O 3.25Å; R77-D91 IonicContact NH2-OD2 2.67Å; D87-D91 PolarHBondContact O-N 3.4Å; W88-D91 CarbonylContact O-C 3.47Å; D91-A124 WeakPolarHBondContact OD1-CA 3.29Å; D91-L125 PolarHBondContact OD1-N 3.47Å; D91-L125 WeakPolarHBondContact OD2-CB 3.48Å; D91-L125 PolarHBondContact OD2-N 2.96Å; D91-L125 VanDerWaalsContact OD2-N 3.17Å; D91-P167 HydrophobicContact CB-CB 3.69Å; D91-P167 HydrophobicContact CB-CG 4.28Å
92	P	97.2	Very high	96.4	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.019	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-66.9	141.9	-173.9	26.3	-35.2	0	0	0	111.4	K43 D45 F51 W88	K43-P92 HydrophobicContact CD-CG 4.26Å; D45-P92 HydrophobicContact CB-CB 4.12Å; D45-P92 HydrophobicContact CB-CG 4.22Å; D45-P92 WeakPolarHBondContact OD1-CB 3.5Å; D45-P92 WeakPolarHBondContact OD1-CG 3.48Å; F51-P92 HydrophobicContact CE1-CB 3.94Å; F51-P92 HydrophobicContact CZ-CB 3.94Å; W88-P92 WeakPolarHBondContact O-CA 3.09Å
93	P	98.1	Very high	96.6	Very high	2 Å²	2	29 Å²	29	1%	0.013	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-76.6	170.1	175.1	31.4	-30.2	0	0	0	111.4	K43 C44 P71 L74 W88 L125	K43-P93 WeakPolarHBondContact CA-O 3.5Å; C44-P93 PolarHBondContact N-O 3.37Å; C44-P93 PolarHBondContact SG-O 3.5Å; P71-P93 HydrophobicContact CG-CG 4Å; L74-P93 HydrophobicContact CD2-CG 3.88Å; W88-P93 HydrophobicContact CE3-CG 4.22Å; W88-P93 HydrophobicContact CZ3-CB 4.22Å; W88-P93 HydrophobicContact CZ3-CG 4.03Å; P93-L125 HydrophobicContact CB-CD2 3.87Å; P93-L125 HydrophobicContact CB-CG 4.5Å
94	L	98.4	Very high	96.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-62.7	152.1	163.7	-64.2	-174.2	0	0	0	111.5	S41 E42 C44 R126 Q129	S41-L94 WeakPolarHBondContact O-CD2 3.45Å; E42-L94 VanDerWaalsContact O-CA 3.3Å; E42-L94 WeakPolarHBondContact O-CA 3.27Å; E42-L94 VanDerWaalsContact O-CD2 3.23Å; E42-L94 WeakPolarHBondContact O-CD2 3.16Å; C44-L94 PolarHBondContact SG-O 3.05Å; L94-R126 HydrophobicContact CD2-CB 3.83Å; L94-R126 WeakPolarHBondContact CD2-O 3.41Å; L94-R126 HydrophobicContact CG-CB 4.47Å; L94-Q129 HydrophobicContact CD1-CB 3.67Å; L94-Q129 HydrophobicContact CG-CB 3.83Å
95	T	97.9	Very high	96.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-74.6	170.4	163.9	62.9	0	0	0	0	110.9	E42 C44 V47 N69 M70 M97 G98 H99	E42-T95 HydrophobicContact CG-CG2 3.96Å; E42-T95 PolarHBondContact O-N 2.77Å; E42-T95 PolarHBondContact O-OG1 3.16Å; E42-T95 VanDerWaalsContact OE1-CB 3.24Å; E42-T95 WeakPolarHBondContact OE1-CB 3.24Å; E42-T95 WeakPolarHBondContact OE1-CG2 3.4Å; E42-T95 PolarHBondContact OE1-OG1 3.47Å; C44-T95 HydrophobicContact CB-CG2 4.47Å; V47-T95 HydrophobicContact CG2-CG2 3.88Å; N69-T95 CarbonylContact O-C 3.5Å; N69-T95 WeakPolarHBondContact O-CA 3.22Å; N69-T95 WeakPolarHBondContact O-CB 3.39Å; N69-T95 WeakPolarHBondContact OD1-CB 3.48Å; M70-T95 HydrophobicContact CE-CG2 3.84Å; T95-M97 VanDerWaalsContact C-N 3.28Å; T95-M97 PolarHBondContact O-N 3.32Å; T95-G98 PolarHBondContact O-N 2.89Å; T95-G98 VanDerWaalsContact O-N 3.17Å; T95-G98 PolarHBondContact OG1-N 3.26Å; T95-H99 PolarHBondContact O-CD2 2.98Å; T95-H99 PolarHBondContact O-N 3.13Å
96	N	97.4	Very high	96.9	Very high	46 Å²	46	29 Å²	29	25%	0.246	15%	0.15	C	C	.	.	H	α-helix	trans	-62.8	-35.8	172.1	-73.8	-27.3	0	0	0	111.7	L68 N69 M70 K100	L68-N96 PolarHBondContact O-ND2 2.8Å; N69-N96 PolarHBondContact O-N 2.88Å; M70-N96 PolarHBondContact O-ND2 3.22Å; N96-K100 WeakPolarHBondContact O-CG 3.35Å; N96-K100 PolarHBondContact O-N 3.16Å
97	M	96.2	Very high	97	Very high	73 Å²	73	24.2 Å²	24.2	36%	0.36	13%	0.132	S	C	.	.	H	α-helix	trans	-65.4	-43.2	171.2	-172.9	60.2	71.4	0	0	111.3	N69 T95 H99 K100 T101 Y286	N69-M97 WeakPolarHBondContact OD1-CB 3.31Å; N69-M97 PolarHBondContact OD1-N 2.91Å; T95-M97 VanDerWaalsContact C-N 3.28Å; T95-M97 PolarHBondContact O-N 3.32Å; M97-H99 VanDerWaalsContact C-N 3.3Å; M97-H99 PolarHBondContact O-N 3.07Å; M97-K100 PolarHBondContact O-N 3.28Å; M97-K100 VanDerWaalsContact O-N 3.14Å; M97-T101 HydrophobicContact CG-CG2 4.13Å; M97-T101 WeakPolarHBondContact O-CG2 3.49Å; M97-T101 PolarHBondContact O-N 3.17Å; M97-T101 PolarHBondContact O-OG1 2.82Å; M97-T101 HydrophobicContact SD-CG2 3.95Å; M97-Y286 HydrophobicContact CG-CE2 3.81Å
98	G	97.4	Very high	97.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-57	-43.4	177.1	0	0	0	0	0	112.2	S41 T95 T101 A102	S41-G98 VanDerWaalsContact CB-O 3.23Å; S41-G98 WeakPolarHBondContact CB-O 3.45Å; S41-G98 VanDerWaalsContact OG-CA 3.24Å; S41-G98 WeakPolarHBondContact OG-CA 3.32Å; S41-G98 PolarHBondContact OG-O 3.21Å; T95-G98 PolarHBondContact O-N 2.89Å; T95-G98 VanDerWaalsContact O-N 3.17Å; T95-G98 PolarHBondContact OG1-N 3.26Å; G98-T101 PolarHBondContact O-OG1 3.21Å; G98-T101 VanDerWaalsContact O-OG1 3.14Å; G98-A102 VanDerWaalsContact O-CB 3.3Å; G98-A102 WeakPolarHBondContact O-CB 3.46Å; G98-A102 PolarHBondContact O-N 2.93Å; G98-A102 VanDerWaalsContact O-N 3.12Å
99	H	98.1	Very high	97.1	Very high	29 Å²	29	27.2 Å²	27.2	13%	0.134	15%	0.146	C	C	.	.	H	α-helix	trans	-62.3	-46.3	174	-78.7	-66.2	0	0	0	113.2	T95 M97 A103 R133	T95-H99 PolarHBondContact O-CD2 2.98Å; T95-H99 PolarHBondContact O-N 3.13Å; M97-H99 VanDerWaalsContact C-N 3.3Å; M97-H99 PolarHBondContact O-N 3.07Å; H99-A103 PolarHBondContact O-N 3.4Å; H99-R133 HydrophobicContact CB-CG 4.09Å; H99-R133 VanDerWaalsContact ND1-CG 3.28Å; H99-R133 WeakPolarHBondContact ND1-CG 3.29Å; H99-R133 PolarHBondContact ND1-NE 2.86Å
100	K	96.9	Very high	97.2	Very high	144 Å²	144	23.7 Å²	23.7	63%	0.626	13%	0.13	S	C	*	.	H	α-helix	trans	-65.4	-45.9	-178.1	-72	170	-175.3	173.1	0	112.1	N96 M97 A103 A104	N96-K100 WeakPolarHBondContact O-CG 3.35Å; N96-K100 PolarHBondContact O-N 3.16Å; M97-K100 PolarHBondContact O-N 3.28Å; M97-K100 VanDerWaalsContact O-N 3.14Å; K100-A103 PolarHBondContact O-N 2.84Å; K100-A104 WeakPolarHBondContact O-CB 3.45Å; K100-A104 PolarHBondContact O-N 3.31Å
101	T	96.7	Very high	97.4	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.018	15%	0.145	C	C	.	.	H	α-helix	trans	-67	-38.7	-179.2	51.8	0	0	0	0	111.6	S41 M97 G98 A103 A104 I105 L261 F284 Y286	S41-T101 PolarHBondContact OG-OG1 2.79Å; M97-T101 HydrophobicContact CG-CG2 4.13Å; M97-T101 WeakPolarHBondContact O-CG2 3.49Å; M97-T101 PolarHBondContact O-N 3.17Å; M97-T101 PolarHBondContact O-OG1 2.82Å; M97-T101 HydrophobicContact SD-CG2 3.95Å; G98-T101 PolarHBondContact O-OG1 3.21Å; G98-T101 VanDerWaalsContact O-OG1 3.14Å; T101-A103 PolarHBondContact O-N 2.64Å; T101-A104 PolarHBondContact O-N 2.98Å; T101-I105 WeakPolarHBondContact O-CG1 3.4Å; T101-I105 PolarHBondContact O-N 2.8Å; T101-L261 VanDerWaalsContact C-CD1 3.47Å; T101-F284 HydrophobicContact CG2-CD1 3.98Å; T101-F284 HydrophobicContact CG2-CE1 3.53Å; T101-F284 HydrophobicContact CG2-CZ 4.14Å; T101-Y286 HydrophobicContact CG2-CE1 3.96Å
102	A	98	Very high	97.3	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60.8	-43.1	173.9	0	0	0	0	0	112.2	G98 G106 T130 R133 F134 L261	G98-A102 VanDerWaalsContact O-CB 3.3Å; G98-A102 WeakPolarHBondContact O-CB 3.46Å; G98-A102 PolarHBondContact O-N 2.93Å; G98-A102 VanDerWaalsContact O-N 3.12Å; A102-G106 PolarHBondContact O-N 3.33Å; A102-G106 VanDerWaalsContact O-N 3.11Å; A102-T130 HydrophobicContact CB-CG2 3.99Å; A102-R133 HydrophobicContact CB-CB 3.74Å; A102-F134 WeakPolarHBondContact O-CA 3.42Å; A102-L261 HydrophobicContact CB-CD2 4.24Å
103	A	97.9	Very high	97.2	Very high	21 Å²	21	37.2 Å²	37.2	17%	0.174	20%	0.195	C	C	.	.	H	α-helix	trans	-66.7	-39.7	175.4	0	0	0	0	0	112.8	H99 K100 T101 G106 A107 R133 G137	H99-A103 PolarHBondContact O-N 3.4Å; K100-A103 PolarHBondContact O-N 2.84Å; T101-A103 PolarHBondContact O-N 2.64Å; A103-G106 PolarHBondContact O-N 3.25Å; A103-A107 PolarHBondContact O-N 2.89Å; A103-R133 VanDerWaalsContact CA-O 3.25Å; A103-R133 WeakPolarHBondContact CA-O 3.4Å; A103-R133 HydrophobicContact CB-CB 4.28Å; A103-G137 WeakPolarHBondContact O-CA 3.49Å
104	A	96.8	Very high	97.1	Very high	44 Å²	44	37.9 Å²	37.9	36%	0.364	20%	0.199	S	C	.	.	H	α-helix	trans	-61.5	-43.7	176.3	0	0	0	0	0	111.9	K100 T101 G106 A107 E108	K100-A104 WeakPolarHBondContact O-CB 3.45Å; K100-A104 PolarHBondContact O-N 3.31Å; T101-A104 PolarHBondContact O-N 2.98Å; A104-G106 PolarHBondContact O-N 2.82Å; A104-A107 PolarHBondContact O-N 3.26Å; A104-E108 PolarHBondContact O-N 3.28Å
105	I	97.4	Very high	96.9	Very high	6 Å²	6	40 Å²	40	3%	0.031	22%	0.217	C	C	.	.	H	α-helix	trans	-61.5	-44.6	174.7	-71	-62	0	0	0	111.2	M38 T101 A107 E108 Y109 F134 L261 V281 F284	M38-I105 HydrophobicContact CE-CG2 3.7Å; M38-I105 HydrophobicContact SD-CG2 4.27Å; T101-I105 WeakPolarHBondContact O-CG1 3.4Å; T101-I105 PolarHBondContact O-N 2.8Å; I105-A107 VanDerWaalsContact C-N 3.32Å; I105-A107 PolarHBondContact O-N 3.06Å; I105-E108 PolarHBondContact O-N 3.11Å; I105-Y109 HydrophobicContact CG2-CD2 3.92Å; I105-Y109 HydrophobicContact CG2-CE2 3.82Å; I105-Y109 VanDerWaalsContact O-CD2 3.3Å; I105-Y109 WeakPolarHBondContact O-CD2 3.5Å; I105-Y109 PolarHBondContact O-N 3.46Å; I105-F134 HydrophobicContact CG2-CD2 4.01Å; I105-F134 HydrophobicContact CG2-CE2 3.97Å; I105-L261 HydrophobicContact CG1-CB 4.22Å; I105-L261 HydrophobicContact CG1-CD1 3.78Å; I105-L261 HydrophobicContact CG1-CG 4.47Å; I105-V281 HydrophobicContact CD1-CG1 3.82Å; I105-F284 HydrophobicContact CD1-CB 4.07Å; I105-F284 HydrophobicContact CD1-CD2 4.29Å
106	G	97.9	Very high	96.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-56.4	-45.4	174.8	0	0	0	0	0	113.1	A102 A103 A104 E108 Y109 A110 F134 Y138	A102-G106 PolarHBondContact O-N 3.33Å; A102-G106 VanDerWaalsContact O-N 3.11Å; A103-G106 PolarHBondContact O-N 3.25Å; A104-G106 PolarHBondContact O-N 2.82Å; G106-E108 VanDerWaalsContact C-N 3.35Å; G106-E108 PolarHBondContact O-N 3.11Å; G106-Y109 PolarHBondContact O-N 3.32Å; G106-A110 PolarHBondContact O-N 2.93Å; G106-F134 WeakPolarHBondContact CA-O 3.47Å; G106-Y138 VanDerWaalsContact O-CA 3.22Å; G106-Y138 WeakPolarHBondContact O-CA 3.4Å; G106-Y138 WeakPolarHBondContact O-CB 3.43Å
107	A	97.6	Very high	96.8	Very high	21 Å²	21	41.9 Å²	41.9	17%	0.174	22%	0.224	C	C	.	.	H	α-helix	trans	-62.3	-40.3	176.4	0	0	0	0	0	112.3	A103 A104 I105 A110 H111 V141	A103-A107 PolarHBondContact O-N 2.89Å; A104-A107 PolarHBondContact O-N 3.26Å; I105-A107 VanDerWaalsContact C-N 3.32Å; I105-A107 PolarHBondContact O-N 3.06Å; A107-A110 WeakPolarHBondContact O-CB 3.44Å; A107-A110 PolarHBondContact O-N 3.27Å; A107-H111 PolarHBondContact O-CD2 2.98Å; A107-H111 PolarHBondContact O-N 2.96Å; A107-V141 HydrophobicContact CB-CG2 3.77Å
108	E	97.4	Very high	96.9	Very high	81 Å²	81	41.6 Å²	41.6	38%	0.379	22%	0.22	S	C	.	.	H	α-helix	trans	-65.3	-41.6	178.9	-172.4	59.7	-164.6	0	0	112.3	A104 I105 G106 A110 H111 L112 V281	A104-E108 PolarHBondContact O-N 3.28Å; I105-E108 PolarHBondContact O-N 3.11Å; G106-E108 VanDerWaalsContact C-N 3.35Å; G106-E108 PolarHBondContact O-N 3.11Å; E108-A110 PolarHBondContact O-N 3.49Å; E108-H111 PolarHBondContact O-N 3.27Å; E108-L112 HydrophobicContact CG-CD1 4.27Å; E108-L112 WeakPolarHBondContact O-CG 3.41Å; E108-L112 PolarHBondContact O-N 3.47Å; E108-V281 HydrophobicContact CB-CG1 4.25Å; E108-V281 HydrophobicContact CB-CG2 4.21Å; E108-V281 HydrophobicContact CG-CB 4.45Å; E108-V281 HydrophobicContact CG-CG1 3.74Å; E108-V281 HydrophobicContact CG-CG2 3.79Å
109	Y	97.2	Very high	97	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.008	22%	0.22	C	C	.	.	H	α-helix	trans	-54.8	-43.1	171.9	-91.7	-109.7	0	0	0	111.7	I36 M38 I105 G106 N113 V114 I116 F134 P280 V281	I36-Y109 HydrophobicContact CD1-CE1 3.9Å; M38-Y109 HydrophobicContact CE-CE2 3.89Å; I105-Y109 HydrophobicContact CG2-CD2 3.92Å; I105-Y109 HydrophobicContact CG2-CE2 3.82Å; I105-Y109 VanDerWaalsContact O-CD2 3.3Å; I105-Y109 WeakPolarHBondContact O-CD2 3.5Å; I105-Y109 PolarHBondContact O-N 3.46Å; G106-Y109 PolarHBondContact O-N 3.32Å; Y109-N113 PolarHBondContact O-N 3.47Å; Y109-V114 HydrophobicContact CD1-CB 3.89Å; Y109-V114 HydrophobicContact CD1-CG1 3.69Å; Y109-V114 HydrophobicContact CD1-CG2 4.3Å; Y109-V114 HydrophobicContact CE1-CG1 4.07Å; Y109-V114 WeakPolarHBondContact O-CB 3.36Å; Y109-V114 PolarHBondContact O-N 3.49Å; Y109-I116 HydrophobicContact CD1-CD1 3.92Å; Y109-I116 HydrophobicContact CD1-CG1 4.21Å; Y109-I116 HydrophobicContact CE1-CD1 4.15Å; Y109-F134 HydrophobicContact CD1-CE2 4.37Å; Y109-F134 AromaticContact CD1-CZ 3.98Å; Y109-F134 HydrophobicContact CD1-CZ 3.98Å; Y109-F134 AromaticContact CD2-CE2 3.75Å; Y109-F134 HydrophobicContact CD2-CE2 3.75Å; Y109-F134 HydrophobicContact CD2-CZ 4.12Å; Y109-F134 HydrophobicContact CE1-CZ 4.5Å; Y109-F134 HydrophobicContact CE2-CE2 4.09Å; Y109-F134 AromaticContact CG-CE2 3.91Å; Y109-F134 HydrophobicContact CG-CE2 3.91Å; Y109-F134 AromaticContact CG-CZ 3.77Å; Y109-F134 HydrophobicContact CG-CZ 3.77Å; Y109-P280 HydrophobicContact CD1-CG 4.07Å; Y109-P280 HydrophobicContact CE1-CG 3.34Å; Y109-P280 HydrophobicContact CE2-CG 4.42Å; Y109-V281 HydrophobicContact CD2-CB 3.96Å; Y109-V281 HydrophobicContact CD2-CG2 3.23Å; Y109-V281 HydrophobicContact CE2-CB 3.6Å; Y109-V281 HydrophobicContact CE2-CG2 3.37Å; Y109-V281 HydrophobicContact CG-CG2 3.98Å
110	A	97.3	Very high	97	Very high	2 Å²	2	40.4 Å²	40.4	2%	0.017	21%	0.214	C	C	.	.	H	α-helix	trans	-68.9	-41.8	177.4	0	0	0	0	0	112.5	G106 A107 E108 L112 N113 Y138 V141 N142	G106-A110 PolarHBondContact O-N 2.93Å; A107-A110 WeakPolarHBondContact O-CB 3.44Å; A107-A110 PolarHBondContact O-N 3.27Å; E108-A110 PolarHBondContact O-N 3.49Å; A110-L112 VanDerWaalsContact C-N 3.28Å; A110-L112 PolarHBondContact O-N 2.83Å; A110-N113 PolarHBondContact O-N 3.45Å; A110-Y138 HydrophobicContact CB-CD2 3.8Å; A110-Y138 HydrophobicContact CB-CE2 4.13Å; A110-Y138 HydrophobicContact CB-CG 4.26Å; A110-Y138 WeakPolarHBondContact CB-O 3.45Å; A110-V141 HydrophobicContact CB-CB 3.55Å; A110-V141 HydrophobicContact CB-CG1 3.55Å; A110-V141 HydrophobicContact CB-CG2 4.36Å; A110-N142 VanDerWaalsContact CB-ND2 3.34Å; A110-N142 WeakPolarHBondContact CB-ND2 3.22Å
111	H	96.9	Very high	97.1	Very high	102 Å²	102	33.5 Å²	33.5	47%	0.472	18%	0.184	S	C	.	.	H	α-helix	trans	-61.4	-35.7	176	-73.9	-50.7	0	0	0	113	A107 E108 N113	A107-H111 PolarHBondContact O-CD2 2.98Å; A107-H111 PolarHBondContact O-N 2.96Å; E108-H111 PolarHBondContact O-N 3.27Å; H111-N113 PolarHBondContact O-N 2.93Å; H111-N113 PolarHBondContact O-ND2 3.26Å
112	L	95.7	Very high	97.2	Very high	73 Å²	73	33.4 Å²	33.4	38%	0.382	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	4.5	175	-63.8	179.7	0	0	0	113.6	E108 A110 V114 P280 V281	E108-L112 HydrophobicContact CG-CD1 4.27Å; E108-L112 WeakPolarHBondContact O-CG 3.41Å; E108-L112 PolarHBondContact O-N 3.47Å; A110-L112 VanDerWaalsContact C-N 3.28Å; A110-L112 PolarHBondContact O-N 2.83Å; L112-V114 HydrophobicContact CB-CG2 3.95Å; L112-V114 PolarHBondContact O-N 3.36Å; L112-P280 VanDerWaalsContact CD1-O 3.24Å; L112-P280 WeakPolarHBondContact CD1-O 3.49Å; L112-V281 HydrophobicContact CD1-CG2 3.81Å
113	N	95.1	Very high	97.2	Very high	132 Å²	132	33.8 Å²	33.8	71%	0.706	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.7	33.6	-177.6	-54.8	-82.7	0	0	0	113.3	Y109 A110 H111 A115	Y109-N113 PolarHBondContact O-N 3.47Å; A110-N113 PolarHBondContact O-N 3.45Å; H111-N113 PolarHBondContact O-N 2.93Å; H111-N113 PolarHBondContact O-ND2 3.26Å; N113-A115 PolarHBondContact O-N 3.47Å
114	V	94.1	Very high	97.2	Very high	16 Å²	16	32.8 Å²	32.8	10%	0.097	18%	0.178	C	C	.	.			trans	-77.1	116.1	174	-176	0	0	0	0	107.7	Y109 L112 I116 Y138 P280	Y109-V114 HydrophobicContact CD1-CB 3.89Å; Y109-V114 HydrophobicContact CD1-CG1 3.69Å; Y109-V114 HydrophobicContact CD1-CG2 4.3Å; Y109-V114 HydrophobicContact CE1-CG1 4.07Å; Y109-V114 WeakPolarHBondContact O-CB 3.36Å; Y109-V114 PolarHBondContact O-N 3.49Å; L112-V114 HydrophobicContact CB-CG2 3.95Å; L112-V114 PolarHBondContact O-N 3.36Å; V114-I116 HydrophobicContact CG1-CD1 4.29Å; V114-Y138 VanDerWaalsContact O-CE2 3.27Å; V114-Y138 WeakPolarHBondContact O-CE2 3.19Å; V114-Y138 PolarHBondContact O-OH 2.81Å; V114-P280 HydrophobicContact CG1-CB 4.26Å; V114-P280 HydrophobicContact CG1-CG 4.01Å; V114-P280 HydrophobicContact CG2-CB 3.51Å; V114-P280 HydrophobicContact CG2-CG 4.01Å
115	A	94.5	Very high	97.3	Very high	44 Å²	44	31 Å²	31	36%	0.364	16%	0.162	S	C	.	.			trans	-69.1	136.3	174.7	0	0	0	0	0	110.6	N113 E117 T224	N113-A115 PolarHBondContact O-N 3.47Å; A115-E117 VanDerWaalsContact CB-OE1 3.31Å; A115-E117 WeakPolarHBondContact CB-OE1 3.32Å; A115-T224 WeakPolarHBondContact O-CB 3.28Å; A115-T224 VanDerWaalsContact O-CG2 3.28Å; A115-T224 WeakPolarHBondContact O-CG2 3.21Å; A115-T224 PolarHBondContact O-OG1 2.73Å
116	I	97.4	Very high	97.3	Very high	7 Å²	7	31 Å²	31	4%	0.036	16%	0.162	C	C	.	.			trans	-131.8	117.6	171.7	-57.8	-66.6	0	0	0	106.9	I36 Y109 V114 V119 F134 Y138 L147 T224 L226	I36-I116 HydrophobicContact CD1-CD1 3.9Å; Y109-I116 HydrophobicContact CD1-CD1 3.92Å; Y109-I116 HydrophobicContact CD1-CG1 4.21Å; Y109-I116 HydrophobicContact CE1-CD1 4.15Å; V114-I116 HydrophobicContact CG1-CD1 4.29Å; I116-V119 HydrophobicContact CG2-CG2 3.81Å; I116-F134 HydrophobicContact CG1-CE1 4.36Å; I116-F134 HydrophobicContact CG1-CZ 4.3Å; I116-Y138 HydrophobicContact CB-CE1 4.4Å; I116-Y138 HydrophobicContact CB-CE2 4.14Å; I116-Y138 HydrophobicContact CG1-CD2 4.32Å; I116-Y138 HydrophobicContact CG1-CE2 3.76Å; I116-Y138 PolarHBondContact N-OH 3.08Å; I116-Y138 VanDerWaalsContact N-OH 3.11Å; I116-L147 HydrophobicContact CB-CD1 4.42Å; I116-L147 HydrophobicContact CG2-CD1 4.23Å; I116-L147 WeakPolarHBondContact O-CD2 3.11Å; I116-T224 HydrophobicContact CD1-CG2 3.86Å; I116-L226 HydrophobicContact CD1-CB 4.48Å; I116-L226 HydrophobicContact CG2-CB 4.24Å
117	E	97.1	Very high	97.3	Very high	79 Å²	79	31 Å²	31	37%	0.369	16%	0.162	S	C	.	.			trans	-107.1	-30.3	-177	-70	78.6	-175.9	0	0	112.4	A115 L147 A223 T224	A115-E117 VanDerWaalsContact CB-OE1 3.31Å; A115-E117 WeakPolarHBondContact CB-OE1 3.32Å; E117-L147 WeakPolarHBondContact O-CD2 3.24Å; E117-A223 HydrophobicContact CB-CB 4.25Å; E117-A223 HydrophobicContact CG-CB 4.45Å; E117-T224 PolarHBondContact N-O 3.28Å; E117-T224 VanDerWaalsContact OE2-CA 3.3Å; E117-T224 WeakPolarHBondContact OE2-CA 3.47Å; E117-T224 WeakPolarHBondContact OE2-CB 3.45Å; E117-T224 PolarHBondContact OE2-N 2.85Å
118	Y	98.4	Very high	97.4	Very high	68 Å²	68	30 Å²	30	27%	0.267	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	133.4	-178	-60.3	-87.8	0	0	0	111.1	I219 P220 A223 T224 V225 L226	Y118-I219 HydrophobicContact CD1-CD1 4.21Å; Y118-I219 HydrophobicContact CD2-CD1 4.05Å; Y118-I219 HydrophobicContact CE2-CD1 4.39Å; Y118-I219 HydrophobicContact CG-CD1 3.97Å; Y118-P220 HydrophobicContact CE2-CG 4.1Å; Y118-P220 WeakPolarHBondContact OH-CD 3.35Å; Y118-P220 WeakPolarHBondContact OH-CG 3.3Å; Y118-A223 HydrophobicContact CD2-CB 3.98Å; Y118-A223 HydrophobicContact CE2-CB 3.69Å; Y118-T224 PolarHBondContact N-O 2.93Å; Y118-V225 HydrophobicContact CD2-CG2 4.28Å; Y118-V225 WeakPolarHBondContact O-CA 3.36Å; Y118-L226 PolarHBondContact O-N 3.03Å
119	V	98.7	Very high	97.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	114.9	175.1	-175.6	0	0	0	0	109.2	I116 A131 I135 K150 L226	I116-V119 HydrophobicContact CG2-CG2 3.81Å; V119-A131 HydrophobicContact CG1-CB 4.01Å; V119-I135 HydrophobicContact CB-CD1 4.06Å; V119-I135 HydrophobicContact CG1-CD1 4.16Å; V119-I135 HydrophobicContact CG2-CD1 4.04Å; V119-I135 HydrophobicContact CG2-CG1 4.04Å; V119-K150 PolarHBondContact O-N 2.89Å; V119-L226 CarbonylContact C-O 3.57Å; V119-L226 WeakPolarHBondContact CA-O 3.36Å; V119-L226 HydrophobicContact CG1-CD2 4.39Å; V119-L226 HydrophobicContact CG2-CB 4.42Å; V119-L226 HydrophobicContact CG2-CD2 4.45Å
120	F	98.8	Very high	97.5	Very high	3 Å²	3	27.4 Å²	27.4	1%	0.013	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	145.2	172.2	-67.3	-97	0	0	0	109.9	K150 L155 Y186 I215 I219 V225 L226 F227 I228	F120-K150 CarbonylContact C-O 3.54Å; F120-K150 VanDerWaalsContact CA-O 3.26Å; F120-K150 WeakPolarHBondContact CA-O 3.22Å; F120-K150 HydrophobicContact CD1-CB 3.52Å; F120-K150 HydrophobicContact CD1-CD 4.13Å; F120-K150 HydrophobicContact CD1-CG 4.47Å; F120-K150 HydrophobicContact CE1-CB 3.72Å; F120-K150 HydrophobicContact CE1-CD 3.52Å; F120-K150 HydrophobicContact CE1-CG 4.27Å; F120-K150 HydrophobicContact CE2-CD 4.08Å; F120-K150 HydrophobicContact CG-CB 4.11Å; F120-K150 HydrophobicContact CZ-CB 4.44Å; F120-K150 HydrophobicContact CZ-CD 3.48Å; F120-K150 VanDerWaalsContact CZ-CD 3.48Å; F120-L155 HydrophobicContact CB-CD1 3.85Å; F120-Y186 HydrophobicContact CD1-CE1 4.4Å; F120-Y186 HydrophobicContact CE1-CD2 4.42Å; F120-Y186 HydrophobicContact CE1-CE1 4.32Å; F120-Y186 AromaticContact CE1-CE2 3.67Å; F120-Y186 HydrophobicContact CE1-CE2 3.67Å; F120-Y186 AromaticContact CE1-CZ 3.6Å; F120-I215 HydrophobicContact CD1-CD1 3.73Å; F120-I215 HydrophobicContact CD1-CG1 4.25Å; F120-I215 HydrophobicContact CD1-CG2 4.4Å; F120-I215 HydrophobicContact CD2-CG2 4.14Å; F120-I215 HydrophobicContact CE1-CD1 3.95Å; F120-I215 HydrophobicContact CE1-CG1 3.94Å; F120-I215 HydrophobicContact CE1-CG2 3.89Å; F120-I215 HydrophobicContact CE2-CG2 3.59Å; F120-I215 HydrophobicContact CG-CD1 4.19Å; F120-I215 HydrophobicContact CZ-CB 4.48Å; F120-I215 HydrophobicContact CZ-CG1 4.37Å; F120-I215 HydrophobicContact CZ-CG2 3.45Å; F120-I215 VanDerWaalsContact CZ-CG2 3.45Å; F120-I219 HydrophobicContact CE2-CD1 4.03Å; F120-I219 HydrophobicContact CZ-CD1 4.27Å; F120-V225 HydrophobicContact CD2-CG1 3.55Å; F120-V225 HydrophobicContact CE2-CG1 3.74Å; F120-L226 PolarHBondContact N-O 2.96Å; F120-F227 HydrophobicContact CB-CD1 3.71Å; F120-F227 HydrophobicContact CB-CE1 4.01Å; F120-F227 HydrophobicContact CD2-CD1 4.41Å; F120-F227 HydrophobicContact CD2-CE1 4.01Å; F120-F227 HydrophobicContact CG-CD1 4.27Å; F120-F227 HydrophobicContact CG-CE1 4.06Å; F120-F227 CarbonylContact O-C 3.39Å; F120-F227 WeakPolarHBondContact O-CA 3.5Å; F120-I228 PolarHBondContact O-N 2.89Å
121	S	98.8	Very high	97.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	145	178.3	-176.3	0	0	0	0	111.3	C127 V128 K150 E152 I228	S121-C127 WeakPolarHBondContact OG-CB 3.39Å; S121-C127 PolarHBondContact OG-O 2.92Å; S121-V128 WeakPolarHBondContact OG-CA 3.29Å; S121-V128 PolarHBondContact OG-N 3.31Å; S121-K150 PolarHBondContact N-O 3.35Å; S121-E152 PolarHBondContact O-N 3Å; S121-I228 CarbonylContact C-O 3.59Å; S121-I228 WeakPolarHBondContact CA-O 3.43Å
122	S	98.5	Very high	97.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.12	C	C	.	.			trans	-55.4	148.2	156.3	-178.8	0	0	0	0	110.7	A124 V128 L155 F156 I228 H230	S122-A124 PolarHBondContact O-N 3.18Å; S122-V128 WeakPolarHBondContact O-CG2 3.5Å; S122-L155 VanDerWaalsContact CB-O 3.29Å; S122-L155 WeakPolarHBondContact CB-O 3.48Å; S122-L155 PolarHBondContact OG-O 3.14Å; S122-F156 WeakPolarHBondContact OG-CA 3.33Å; S122-I228 PolarHBondContact N-O 3.36Å; S122-H230 WeakPolarHBondContact CB-NE2 3.43Å; S122-H230 PolarHBondContact OG-NE2 2.81Å
123	P	98	Very high	97.8	Very high	9 Å²	9	23.5 Å²	23.5	6%	0.058	12%	0.118	C	C	.	.	S	Bend	trans	-69.2	-13.2	177.9	31.2	-41.2	0	0	0	114.2	L125 I151 E152 F156 F169	P123-L125 PolarHBondContact O-N 2.76Å; P123-I151 HydrophobicContact CB-CG2 3.79Å; P123-E152 VanDerWaalsContact CD-O 3.29Å; P123-E152 WeakPolarHBondContact CD-O 3.3Å; P123-F156 HydrophobicContact CG-CB 4.26Å; P123-F169 HydrophobicContact CB-CB 4.23Å; P123-F169 HydrophobicContact CB-CD1 3.85Å; P123-F169 HydrophobicContact CB-CD2 3.94Å; P123-F169 HydrophobicContact CB-CE1 4.16Å; P123-F169 HydrophobicContact CB-CE2 4.25Å; P123-F169 HydrophobicContact CB-CG 3.72Å; P123-F169 HydrophobicContact CB-CZ 4.35Å; P123-F169 HydrophobicContact CG-CD1 4.12Å; P123-F169 HydrophobicContact CG-CD2 3.97Å; P123-F169 HydrophobicContact CG-CE1 3.92Å; P123-F169 HydrophobicContact CG-CE2 3.76Å; P123-F169 HydrophobicContact CG-CG 4.14Å; P123-F169 HydrophobicContact CG-CZ 3.73Å; P123-F169 VanDerWaalsContact O-CD1 3.3Å; P123-F169 WeakPolarHBondContact O-CD1 3.34Å
124	A	97.7	Very high	98	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.085	C	C	.	.	S	Bend	trans	-57.1	131.8	175.5	0	0	0	0	0	110.7	D91 S122 R126 C127 V128 F156 F169	D91-A124 WeakPolarHBondContact OD1-CA 3.29Å; S122-A124 PolarHBondContact O-N 3.18Å; A124-R126 VanDerWaalsContact C-N 3.27Å; A124-R126 HydrophobicContact CB-CG 4.23Å; A124-R126 PolarHBondContact O-N 3.22Å; A124-C127 WeakPolarHBondContact O-CA 3.14Å; A124-C127 WeakPolarHBondContact O-CB 3.09Å; A124-C127 PolarHBondContact O-N 3.02Å; A124-V128 PolarHBondContact O-N 3.43Å; A124-V128 VanDerWaalsContact O-N 3.11Å; A124-F156 HydrophobicContact CB-CD2 4.16Å; A124-F156 HydrophobicContact CB-CE2 3.99Å; A124-F169 HydrophobicContact CB-CE1 4.34Å
125	L	98.1	Very high	98.2	Very high	7 Å²	7	16.4 Å²	16.4	4%	0.037	8%	0.08	C	C	.	.	H	α-helix	trans	-54.9	-43.1	-172.1	179.3	59.9	0	0	0	112.4	W88 D91 P93 P123 C127 V128 Q129 I170 L175	W88-L125 HydrophobicContact CE3-CD2 4.39Å; W88-L125 HydrophobicContact CH2-CD2 4.06Å; W88-L125 HydrophobicContact CZ3-CD2 3.42Å; W88-L125 VanDerWaalsContact CZ3-CD2 3.42Å; D91-L125 PolarHBondContact OD1-N 3.47Å; D91-L125 WeakPolarHBondContact OD2-CB 3.48Å; D91-L125 PolarHBondContact OD2-N 2.96Å; D91-L125 VanDerWaalsContact OD2-N 3.17Å; P93-L125 HydrophobicContact CB-CD2 3.87Å; P93-L125 HydrophobicContact CB-CG 4.5Å; P123-L125 PolarHBondContact O-N 2.76Å; L125-C127 VanDerWaalsContact C-N 3.26Å; L125-C127 PolarHBondContact O-N 2.95Å; L125-V128 PolarHBondContact O-N 2.95Å; L125-Q129 HydrophobicContact CD1-CG 3.81Å; L125-Q129 HydrophobicContact CG-CG 4.13Å; L125-Q129 WeakPolarHBondContact O-CB 3.37Å; L125-Q129 WeakPolarHBondContact O-CG 3.24Å; L125-Q129 PolarHBondContact O-N 3.09Å; L125-I170 HydrophobicContact CD1-CD1 4.1Å; L125-I170 HydrophobicContact CD2-CD1 4.05Å; L125-L175 HydrophobicContact CD1-CD2 3.76Å
126	R	98.3	Very high	98.4	Very high	5 Å²	5	18.9 Å²	18.9	2%	0.019	8%	0.084	C	C	.	.	H	α-helix	trans	-55.7	-35.9	174.4	62.5	-171.7	-174.7	-91.4	3.7	114	H40 K43 L94 A124 T130 E157 H230	H40-R126 HydrophobicContact CB-CB 4.47Å; H40-R126 HydrophobicContact CB-CG 4.25Å; H40-R126 PolarHBondContact CD2-NE 3.06Å; H40-R126 PolarHBondContact NE2-NE 2.86Å; H40-R126 VanDerWaalsContact NE2-NE 3.13Å; K43-R126 HydrophobicContact CB-CB 4.3Å; K43-R126 VanDerWaalsContact CD-CD 3.49Å; L94-R126 HydrophobicContact CD2-CB 3.83Å; L94-R126 WeakPolarHBondContact CD2-O 3.41Å; L94-R126 HydrophobicContact CG-CB 4.47Å; A124-R126 VanDerWaalsContact C-N 3.27Å; A124-R126 HydrophobicContact CB-CG 4.23Å; A124-R126 PolarHBondContact O-N 3.22Å; R126-T130 WeakPolarHBondContact O-CB 3.37Å; R126-T130 PolarHBondContact O-N 3.42Å; R126-T130 PolarHBondContact O-OG1 2.97Å; R126-E157 IonicContact CZ-OE1 3.75Å; R126-E157 VanDerWaalsContact NH2-CD 3.29Å; R126-E157 IonicContact NH2-OE1 3.81Å; R126-E157 PolarHBondContact NH2-OE1 3.49Å; R126-E157 IonicContact NH2-OE2 2.56Å; R126-H230 PolarHBondContact NH2-CE1 3.29Å; R126-H230 PolarHBondContact NH2-ND1 3.46Å
127	C	98.8	Very high	98.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-73.1	-46.6	176.2	-66.3	0	0	0	0	110.6	S121 A124 L125 Q129 T130 A131 I228 H230	S121-C127 WeakPolarHBondContact OG-CB 3.39Å; S121-C127 PolarHBondContact OG-O 2.92Å; A124-C127 WeakPolarHBondContact O-CA 3.14Å; A124-C127 WeakPolarHBondContact O-CB 3.09Å; A124-C127 PolarHBondContact O-N 3.02Å; L125-C127 VanDerWaalsContact C-N 3.26Å; L125-C127 PolarHBondContact O-N 2.95Å; C127-Q129 PolarHBondContact O-N 2.92Å; C127-T130 WeakPolarHBondContact O-CB 3.37Å; C127-T130 PolarHBondContact O-N 2.86Å; C127-T130 VanDerWaalsContact O-N 3.15Å; C127-A131 PolarHBondContact O-N 3.45Å; C127-I228 HydrophobicContact CB-CG2 4.29Å; C127-H230 PolarHBondContact SG-CE1 3.17Å
128	V	98.8	Very high	98.5	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-63.5	-42.6	-179.6	-172.8	0	0	0	0	111	S121 S122 A124 L125 A131 G132 V149 I151 L175 L180 I182	S121-V128 WeakPolarHBondContact OG-CA 3.29Å; S121-V128 PolarHBondContact OG-N 3.31Å; S122-V128 WeakPolarHBondContact O-CG2 3.5Å; A124-V128 PolarHBondContact O-N 3.43Å; A124-V128 VanDerWaalsContact O-N 3.11Å; L125-V128 PolarHBondContact O-N 2.95Å; V128-A131 PolarHBondContact O-N 2.75Å; V128-G132 PolarHBondContact O-N 3.47Å; V128-V149 HydrophobicContact CG1-CG1 4.47Å; V128-I151 HydrophobicContact CG1-CD1 3.95Å; V128-I151 HydrophobicContact CG2-CD1 3.87Å; V128-I151 HydrophobicContact CG2-CG1 4.23Å; V128-L175 HydrophobicContact CG1-CD1 4.21Å; V128-L175 HydrophobicContact CG1-CD2 4.48Å; V128-L180 HydrophobicContact CG1-CD1 3.99Å; V128-I182 HydrophobicContact CG1-CD1 3.67Å
129	Q	98.7	Very high	98.5	Very high	29 Å²	29	13.6 Å²	13.6	14%	0.136	6%	0.062	C	C	.	.	H	α-helix	trans	-64.7	-38.7	174.5	-74.5	178.3	-37.2	0	0	112	L94 L125 C127 A131 G132 R133 L180	L94-Q129 HydrophobicContact CD1-CB 3.67Å; L94-Q129 HydrophobicContact CG-CB 3.83Å; L125-Q129 HydrophobicContact CD1-CG 3.81Å; L125-Q129 HydrophobicContact CG-CG 4.13Å; L125-Q129 WeakPolarHBondContact O-CB 3.37Å; L125-Q129 WeakPolarHBondContact O-CG 3.24Å; L125-Q129 PolarHBondContact O-N 3.09Å; C127-Q129 PolarHBondContact O-N 2.92Å; Q129-A131 VanDerWaalsContact C-N 3.33Å; Q129-G132 PolarHBondContact O-N 3.35Å; Q129-R133 WeakPolarHBondContact O-CB 3.26Å; Q129-R133 WeakPolarHBondContact O-CG 3.4Å; Q129-R133 PolarHBondContact O-N 2.93Å; Q129-L180 HydrophobicContact CG-CD1 4.46Å
130	T	98.9	Very high	98.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61.4	-45.2	173.7	-60.8	0	0	0	0	110	S41 A102 R126 C127 R133 F134 I228 L261	S41-T130 PolarHBondContact N-OG1 2.87Å; A102-T130 HydrophobicContact CB-CG2 3.99Å; R126-T130 WeakPolarHBondContact O-CB 3.37Å; R126-T130 PolarHBondContact O-N 3.42Å; R126-T130 PolarHBondContact O-OG1 2.97Å; C127-T130 WeakPolarHBondContact O-CB 3.37Å; C127-T130 PolarHBondContact O-N 2.86Å; C127-T130 VanDerWaalsContact O-N 3.15Å; T130-R133 PolarHBondContact O-N 3.28Å; T130-F134 VanDerWaalsContact O-CB 3.28Å; T130-F134 WeakPolarHBondContact O-CB 3.37Å; T130-F134 PolarHBondContact O-N 3.02Å; T130-I228 HydrophobicContact CG2-CD1 4.02Å; T130-I228 HydrophobicContact CG2-CG2 3.83Å; T130-L261 HydrophobicContact CG2-CD2 3.69Å
131	A	98.9	Very high	98.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-63.7	-44.2	178.2	0	0	0	0	0	112.5	V119 C127 V128 Q129 R133 F134 I135 V149 I228	V119-A131 HydrophobicContact CG1-CB 4.01Å; C127-A131 PolarHBondContact O-N 3.45Å; V128-A131 PolarHBondContact O-N 2.75Å; Q129-A131 VanDerWaalsContact C-N 3.33Å; A131-R133 PolarHBondContact O-N 2.89Å; A131-F134 PolarHBondContact O-N 3.43Å; A131-I135 WeakPolarHBondContact O-CB 2.97Å; A131-I135 VanDerWaalsContact O-CG1 3.26Å; A131-I135 WeakPolarHBondContact O-CG1 2.91Å; A131-I135 PolarHBondContact O-N 2.83Å; A131-V149 HydrophobicContact CB-CB 4.48Å; A131-V149 HydrophobicContact CB-CG1 3.92Å; A131-V149 HydrophobicContact CB-CG2 3.68Å; A131-I228 VanDerWaalsContact CA-CD1 3.43Å; A131-I228 HydrophobicContact CB-CB 4.39Å; A131-I228 HydrophobicContact CB-CD1 3.74Å; A131-I228 HydrophobicContact CB-CG1 4.27Å
132	G	98.7	Very high	98.3	Very high	4 Å²	4	26.8 Å²	26.8	4%	0.041	13%	0.127	C	C	.	.	H	α-helix	trans	-59.8	-46.4	175.9	0	0	0	0	0	112.5	V128 Q129 I135 E136	V128-G132 PolarHBondContact O-N 3.47Å; Q129-G132 PolarHBondContact O-N 3.35Å; G132-I135 PolarHBondContact O-N 2.93Å; G132-E136 WeakPolarHBondContact O-CB 3.47Å; G132-E136 PolarHBondContact O-N 3.28Å
133	R	98.6	Very high	98.2	Very high	90 Å²	90	36 Å²	36	34%	0.34	17%	0.167	S	C	.	.	H	α-helix	trans	-70.2	-39.4	178.7	-67.5	-56.7	-174.3	-173.1	-2	113	H99 A102 A103 Q129 T130 A131 I135 E136 G137	H99-R133 HydrophobicContact CB-CG 4.09Å; H99-R133 VanDerWaalsContact ND1-CG 3.28Å; H99-R133 WeakPolarHBondContact ND1-CG 3.29Å; H99-R133 PolarHBondContact ND1-NE 2.86Å; A102-R133 HydrophobicContact CB-CB 3.74Å; A103-R133 VanDerWaalsContact CA-O 3.25Å; A103-R133 WeakPolarHBondContact CA-O 3.4Å; A103-R133 HydrophobicContact CB-CB 4.28Å; Q129-R133 WeakPolarHBondContact O-CB 3.26Å; Q129-R133 WeakPolarHBondContact O-CG 3.4Å; Q129-R133 PolarHBondContact O-N 2.93Å; T130-R133 PolarHBondContact O-N 3.28Å; A131-R133 PolarHBondContact O-N 2.89Å; R133-I135 VanDerWaalsContact C-N 3.32Å; R133-I135 PolarHBondContact O-N 3.2Å; R133-E136 WeakPolarHBondContact CD-OE2 3.45Å; R133-E136 IonicContact CZ-OE2 3.86Å; R133-E136 IonicContact NE-OE2 3.82Å; R133-E136 IonicContact NH1-OE1 3.74Å; R133-E136 IonicContact NH1-OE2 2.8Å; R133-E136 PolarHBondContact NH1-OE2 3.45Å; R133-E136 WeakPolarHBondContact O-CB 3.46Å; R133-E136 PolarHBondContact O-N 3.29Å; R133-G137 PolarHBondContact O-N 2.92Å
134	F	98.7	Very high	98	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-55.6	-50.7	171.7	176.8	-80.1	0	0	0	110.4	M38 A102 I105 G106 Y109 I116 T130 A131 E136 G137 Y138 L226 I228	M38-F134 HydrophobicContact CE-CD2 4.35Å; M38-F134 HydrophobicContact CE-CE2 4.09Å; M38-F134 HydrophobicContact SD-CD2 4.39Å; A102-F134 WeakPolarHBondContact O-CA 3.42Å; I105-F134 HydrophobicContact CG2-CD2 4.01Å; I105-F134 HydrophobicContact CG2-CE2 3.97Å; G106-F134 WeakPolarHBondContact CA-O 3.47Å; Y109-F134 HydrophobicContact CD1-CE2 4.37Å; Y109-F134 AromaticContact CD1-CZ 3.98Å; Y109-F134 HydrophobicContact CD1-CZ 3.98Å; Y109-F134 AromaticContact CD2-CE2 3.75Å; Y109-F134 HydrophobicContact CD2-CE2 3.75Å; Y109-F134 HydrophobicContact CD2-CZ 4.12Å; Y109-F134 HydrophobicContact CE1-CZ 4.5Å; Y109-F134 HydrophobicContact CE2-CE2 4.09Å; Y109-F134 AromaticContact CG-CE2 3.91Å; Y109-F134 HydrophobicContact CG-CE2 3.91Å; Y109-F134 AromaticContact CG-CZ 3.77Å; Y109-F134 HydrophobicContact CG-CZ 3.77Å; I116-F134 HydrophobicContact CG1-CE1 4.36Å; I116-F134 HydrophobicContact CG1-CZ 4.3Å; T130-F134 VanDerWaalsContact O-CB 3.28Å; T130-F134 WeakPolarHBondContact O-CB 3.37Å; T130-F134 PolarHBondContact O-N 3.02Å; A131-F134 PolarHBondContact O-N 3.43Å; F134-E136 PolarHBondContact O-N 2.49Å; F134-G137 PolarHBondContact O-N 3.42Å; F134-Y138 HydrophobicContact CE1-CD2 4.38Å; F134-Y138 HydrophobicContact CE1-CG 4.42Å; F134-Y138 HydrophobicContact CZ-CD2 4.49Å; F134-Y138 VanDerWaalsContact O-CB 3.32Å; F134-Y138 WeakPolarHBondContact O-CB 3.43Å; F134-Y138 PolarHBondContact O-N 3.49Å; F134-L226 HydrophobicContact CD1-CD2 3.64Å; F134-L226 HydrophobicContact CD2-CD2 4.11Å; F134-L226 HydrophobicContact CE1-CD2 3.44Å; F134-L226 VanDerWaalsContact CE1-CD2 3.44Å; F134-L226 HydrophobicContact CE2-CD2 3.9Å; F134-L226 HydrophobicContact CG-CD2 4Å; F134-L226 HydrophobicContact CZ-CD2 3.58Å; F134-I228 HydrophobicContact CB-CD1 4.3Å
135	I	98.7	Very high	97.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-59	-48.1	178.5	-74.3	172.1	0	0	0	110.1	V119 A131 G132 R133 G137 Y138 Q139 L147 V149 P181	V119-I135 HydrophobicContact CB-CD1 4.06Å; V119-I135 HydrophobicContact CG1-CD1 4.16Å; V119-I135 HydrophobicContact CG2-CD1 4.04Å; V119-I135 HydrophobicContact CG2-CG1 4.04Å; A131-I135 WeakPolarHBondContact O-CB 2.97Å; A131-I135 VanDerWaalsContact O-CG1 3.26Å; A131-I135 WeakPolarHBondContact O-CG1 2.91Å; A131-I135 PolarHBondContact O-N 2.83Å; G132-I135 PolarHBondContact O-N 2.93Å; R133-I135 VanDerWaalsContact C-N 3.32Å; R133-I135 PolarHBondContact O-N 3.2Å; I135-G137 PolarHBondContact O-N 2.88Å; I135-Y138 PolarHBondContact O-N 2.7Å; I135-Q139 VanDerWaalsContact CG2-CD 3.47Å; I135-Q139 HydrophobicContact CG2-CG 3.96Å; I135-Q139 WeakPolarHBondContact O-CB 3.34Å; I135-Q139 VanDerWaalsContact O-CG 3.25Å; I135-Q139 WeakPolarHBondContact O-CG 3.44Å; I135-Q139 PolarHBondContact O-N 2.94Å; I135-L147 HydrophobicContact CD1-CB 4.27Å; I135-L147 HydrophobicContact CG1-CB 4.22Å; I135-L147 HydrophobicContact CG2-CB 4.02Å; I135-V149 HydrophobicContact CD1-CG2 3.57Å; I135-P181 HydrophobicContact CB-CG 4.2Å; I135-P181 HydrophobicContact CD1-CG 4.07Å; I135-P181 HydrophobicContact CG2-CB 4.43Å; I135-P181 HydrophobicContact CG2-CG 3.9Å
136	E	98.3	Very high	97.6	Very high	95 Å²	95	48.8 Å²	48.8	44%	0.444	24%	0.237	S	C	.	.	H	α-helix	trans	-52.6	-50.9	177.2	-178.6	-171.2	166.9	0	0	112.1	G132 R133 F134 K140	G132-E136 WeakPolarHBondContact O-CB 3.47Å; G132-E136 PolarHBondContact O-N 3.28Å; R133-E136 WeakPolarHBondContact CD-OE2 3.45Å; R133-E136 IonicContact CZ-OE2 3.86Å; R133-E136 IonicContact NE-OE2 3.82Å; R133-E136 IonicContact NH1-OE1 3.74Å; R133-E136 IonicContact NH1-OE2 2.8Å; R133-E136 PolarHBondContact NH1-OE2 3.45Å; R133-E136 WeakPolarHBondContact O-CB 3.46Å; R133-E136 PolarHBondContact O-N 3.29Å; F134-E136 PolarHBondContact O-N 2.49Å; E136-K140 WeakPolarHBondContact O-CB 3.42Å; E136-K140 PolarHBondContact O-N 2.92Å
137	G	98.2	Very high	97.6	Very high	6 Å²	6	49 Å²	49	6%	0.062	24%	0.238	C	C	.	.	H	α-helix	trans	-62.8	-47.1	178.5	0	0	0	0	0	113	A103 R133 F134 I135 K140 V141	A103-G137 WeakPolarHBondContact O-CA 3.49Å; R133-G137 PolarHBondContact O-N 2.92Å; F134-G137 PolarHBondContact O-N 3.42Å; I135-G137 PolarHBondContact O-N 2.88Å; G137-K140 PolarHBondContact O-N 2.94Å; G137-V141 PolarHBondContact O-N 2.65Å
138	Y	98.4	Very high	97.6	Very high	13 Å²	13	53.2 Å²	53.2	5%	0.051	26%	0.256	C	S	.	.	H	α-helix	trans	-61.6	-46.8	-179.8	-178.3	-90	0	0	0	112.1	G106 A110 V114 I116 F134 I135 V141 N142 M144 L147	G106-Y138 VanDerWaalsContact O-CA 3.22Å; G106-Y138 WeakPolarHBondContact O-CA 3.4Å; G106-Y138 WeakPolarHBondContact O-CB 3.43Å; A110-Y138 HydrophobicContact CB-CD2 3.8Å; A110-Y138 HydrophobicContact CB-CE2 4.13Å; A110-Y138 HydrophobicContact CB-CG 4.26Å; A110-Y138 WeakPolarHBondContact CB-O 3.45Å; V114-Y138 VanDerWaalsContact O-CE2 3.27Å; V114-Y138 WeakPolarHBondContact O-CE2 3.19Å; V114-Y138 PolarHBondContact O-OH 2.81Å; I116-Y138 HydrophobicContact CB-CE1 4.4Å; I116-Y138 HydrophobicContact CB-CE2 4.14Å; I116-Y138 HydrophobicContact CG1-CD2 4.32Å; I116-Y138 HydrophobicContact CG1-CE2 3.76Å; I116-Y138 PolarHBondContact N-OH 3.08Å; I116-Y138 VanDerWaalsContact N-OH 3.11Å; F134-Y138 HydrophobicContact CE1-CD2 4.38Å; F134-Y138 HydrophobicContact CE1-CG 4.42Å; F134-Y138 HydrophobicContact CZ-CD2 4.49Å; F134-Y138 VanDerWaalsContact O-CB 3.32Å; F134-Y138 WeakPolarHBondContact O-CB 3.43Å; F134-Y138 PolarHBondContact O-N 3.49Å; I135-Y138 PolarHBondContact O-N 2.7Å; Y138-V141 PolarHBondContact O-N 2.82Å; Y138-N142 WeakPolarHBondContact CE1-ND2 3.26Å; Y138-N142 WeakPolarHBondContact O-CB 3.38Å; Y138-N142 PolarHBondContact O-N 3.28Å; Y138-N142 VanDerWaalsContact O-N 3.08Å; Y138-N142 PolarHBondContact O-ND2 2.79Å; Y138-M144 HydrophobicContact CD1-SD 4.49Å; Y138-M144 HydrophobicContact CE1-SD 3.95Å; Y138-L147 HydrophobicContact CD1-CD1 3.59Å; Y138-L147 HydrophobicContact CE1-CD1 3.68Å
139	Q	98.2	Very high	97.6	Very high	24 Å²	24	53.2 Å²	53.2	11%	0.112	26%	0.256	C	S	.	.	H	α-helix	trans	-70.1	-35.9	-178	-78.5	-165.5	-48.6	0	0	113.1	I135 V141 N142 K143 M144	I135-Q139 VanDerWaalsContact CG2-CD 3.47Å; I135-Q139 HydrophobicContact CG2-CG 3.96Å; I135-Q139 WeakPolarHBondContact O-CB 3.34Å; I135-Q139 VanDerWaalsContact O-CG 3.25Å; I135-Q139 WeakPolarHBondContact O-CG 3.44Å; I135-Q139 PolarHBondContact O-N 2.94Å; Q139-V141 VanDerWaalsContact C-N 3.33Å; Q139-V141 PolarHBondContact O-N 2.82Å; Q139-N142 PolarHBondContact O-N 2.52Å; Q139-K143 WeakPolarHBondContact O-CA 3.5Å; Q139-K143 PolarHBondContact O-N 3.14Å; Q139-M144 HydrophobicContact CB-CG 4.38Å; Q139-M144 WeakPolarHBondContact CB-O 3.17Å; Q139-M144 HydrophobicContact CG-CG 3.93Å; Q139-M144 WeakPolarHBondContact CG-O 3.32Å; Q139-M144 PolarHBondContact O-N 3.36Å
140	K	97.7	Very high	97.6	Very high	175 Å²	175	53.5 Å²	53.5	76%	0.761	26%	0.257	S	S	*	.	H	α-helix	trans	-60.6	-42.2	174.9	-177.7	178.4	-179.8	179.8	0	112	E136 G137	E136-K140 WeakPolarHBondContact O-CB 3.42Å; E136-K140 PolarHBondContact O-N 2.92Å; G137-K140 PolarHBondContact O-N 2.94Å
141	V	97.7	Very high	97.6	Very high	45 Å²	45	54.1 Å²	54.1	27%	0.273	26%	0.26	S	S	.	.	H	α-helix	trans	-72.2	-45.7	178.4	173.7	0	0	0	0	111.2	A107 A110 G137 Y138 Q139 K143	A107-V141 HydrophobicContact CB-CG2 3.77Å; A110-V141 HydrophobicContact CB-CB 3.55Å; A110-V141 HydrophobicContact CB-CG1 3.55Å; A110-V141 HydrophobicContact CB-CG2 4.36Å; G137-V141 PolarHBondContact O-N 2.65Å; Y138-V141 PolarHBondContact O-N 2.82Å; Q139-V141 VanDerWaalsContact C-N 3.33Å; Q139-V141 PolarHBondContact O-N 2.82Å; V141-K143 VanDerWaalsContact C-N 3.28Å; V141-K143 PolarHBondContact O-N 3.19Å
142	N	97	Very high	97.6	Very high	61 Å²	61	54.1 Å²	54.1	33%	0.326	26%	0.26	S	S	.	.	H	α-helix	trans	-77.5	-8.4	-179.7	-77.7	-39.4	0	0	0	114.7	A110 Y138 Q139 M144	A110-N142 VanDerWaalsContact CB-ND2 3.34Å; A110-N142 WeakPolarHBondContact CB-ND2 3.22Å; Y138-N142 WeakPolarHBondContact CE1-ND2 3.26Å; Y138-N142 WeakPolarHBondContact O-CB 3.38Å; Y138-N142 PolarHBondContact O-N 3.28Å; Y138-N142 VanDerWaalsContact O-N 3.08Å; Y138-N142 PolarHBondContact O-ND2 2.79Å; Q139-N142 PolarHBondContact O-N 2.52Å; N142-M144 HydrophobicContact CB-CG 3.98Å; N142-M144 HydrophobicContact CB-SD 3.74Å
143	K	96.2	Very high	97.5	Very high	193 Å²	193	54 Å²	54	84%	0.839	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	50.2	-176.4	-54.8	179.2	-177.3	177.9	0	112.7	Q139 V141	Q139-K143 WeakPolarHBondContact O-CA 3.5Å; Q139-K143 PolarHBondContact O-N 3.14Å; V141-K143 VanDerWaalsContact C-N 3.28Å; V141-K143 PolarHBondContact O-N 3.19Å
144	M	94.1	Very high	97.4	Very high	68 Å²	68	49.7 Å²	49.7	34%	0.335	24%	0.243	S	C	.	.			trans	-135.3	161.9	-179.7	68.7	-170.7	-63.3	0	0	111.1	Y138 Q139 N142 T146	Y138-M144 HydrophobicContact CD1-SD 4.49Å; Y138-M144 HydrophobicContact CE1-SD 3.95Å; Q139-M144 HydrophobicContact CB-CG 4.38Å; Q139-M144 WeakPolarHBondContact CB-O 3.17Å; Q139-M144 HydrophobicContact CG-CG 3.93Å; Q139-M144 WeakPolarHBondContact CG-O 3.32Å; Q139-M144 PolarHBondContact O-N 3.36Å; N142-M144 HydrophobicContact CB-CG 3.98Å; N142-M144 HydrophobicContact CB-SD 3.74Å; M144-T146 WeakPolarHBondContact CE-OG1 3.34Å
145	D	92.6	Very high	97.4	Very high	122 Å²	122	49.7 Å²	49.7	65%	0.652	24%	0.243	S	C	*	.			trans	-136.2	15.9	-176.6	65.7	-11.4	0	0	0	114.1
146	T	95.2	Very high	97.3	Very high	94 Å²	94	49.7 Å²	49.7	58%	0.577	24%	0.243	S	C	*	.			trans	-84.6	-27.6	-171.9	58.5	0	0	0	0	116.5	M144	M144-T146 WeakPolarHBondContact CE-OG1 3.34Å
147	L	97.9	Very high	97.1	Very high	9 Å²	9	47 Å²	47	5%	0.047	23%	0.23	C	C	.	.			trans	-68.6	137.1	-179	-69.6	179.4	0	0	0	111.7	I116 E117 I135 Y138	I116-L147 HydrophobicContact CB-CD1 4.42Å; I116-L147 HydrophobicContact CG2-CD1 4.23Å; I116-L147 WeakPolarHBondContact O-CD2 3.11Å; E117-L147 WeakPolarHBondContact O-CD2 3.24Å; I135-L147 HydrophobicContact CD1-CB 4.27Å; I135-L147 HydrophobicContact CG1-CB 4.22Å; I135-L147 HydrophobicContact CG2-CB 4.02Å; Y138-L147 HydrophobicContact CD1-CD1 3.59Å; Y138-L147 HydrophobicContact CE1-CD1 3.68Å
148	K	98.5	Very high	96.9	Very high	89 Å²	89	49 Å²	49	39%	0.387	24%	0.236	S	C	.	.			trans	-135.6	153.3	177.3	-57.2	-64.4	172.7	-160.1	0	110.5	P181 D183	K148-P181 CarbonylContact C-O 3.6Å; K148-P181 WeakPolarHBondContact CA-O 3.38Å; K148-P181 WeakPolarHBondContact CB-O 3.28Å; K148-P181 HydrophobicContact CD-CB 4.02Å; K148-D183 HydrophobicContact CB-CB 3.72Å
149	V	98.8	Very high	96.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	121.3	178.1	-174.4	0	0	0	0	109.7	V128 A131 I135 I151 P181 I182 D183	V128-V149 HydrophobicContact CG1-CG1 4.47Å; A131-V149 HydrophobicContact CB-CB 4.48Å; A131-V149 HydrophobicContact CB-CG1 3.92Å; A131-V149 HydrophobicContact CB-CG2 3.68Å; I135-V149 HydrophobicContact CD1-CG2 3.57Å; V149-I151 HydrophobicContact CG1-CG1 4.15Å; V149-P181 HydrophobicContact CG2-CG 4.25Å; V149-P181 PolarHBondContact N-O 3.1Å; V149-I182 HydrophobicContact CB-CD1 4.04Å; V149-D183 PolarHBondContact O-N 2.86Å
150	K	98.7	Very high	95.6	Very high	36 Å²	36	52.8 Å²	52.8	16%	0.157	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	107.8	171.7	-63.7	-179.5	-174.2	-64.2	0	109.2	V119 F120 S121 D183 Y186	V119-K150 PolarHBondContact O-N 2.89Å; F120-K150 CarbonylContact C-O 3.54Å; F120-K150 VanDerWaalsContact CA-O 3.26Å; F120-K150 WeakPolarHBondContact CA-O 3.22Å; F120-K150 HydrophobicContact CD1-CB 3.52Å; F120-K150 HydrophobicContact CD1-CD 4.13Å; F120-K150 HydrophobicContact CD1-CG 4.47Å; F120-K150 HydrophobicContact CE1-CB 3.72Å; F120-K150 HydrophobicContact CE1-CD 3.52Å; F120-K150 HydrophobicContact CE1-CG 4.27Å; F120-K150 HydrophobicContact CE2-CD 4.08Å; F120-K150 HydrophobicContact CG-CB 4.11Å; F120-K150 HydrophobicContact CZ-CB 4.44Å; F120-K150 HydrophobicContact CZ-CD 3.48Å; F120-K150 VanDerWaalsContact CZ-CD 3.48Å; S121-K150 PolarHBondContact N-O 3.35Å; K150-D183 HydrophobicContact CG-CB 4.04Å; K150-D183 IonicContact NZ-OD2 2.91Å; K150-D183 PolarHBondContact NZ-OD2 2.96Å; K150-Y186 HydrophobicContact CB-CD1 3.59Å; K150-Y186 HydrophobicContact CB-CD2 4.13Å; K150-Y186 HydrophobicContact CB-CE1 3.93Å; K150-Y186 HydrophobicContact CB-CE2 4.46Å; K150-Y186 HydrophobicContact CB-CG 3.68Å; K150-Y186 HydrophobicContact CD-CD2 3.87Å; K150-Y186 HydrophobicContact CD-CE2 4.32Å; K150-Y186 HydrophobicContact CD-CG 4.13Å; K150-Y186 HydrophobicContact CG-CD1 4.28Å; K150-Y186 HydrophobicContact CG-CD2 4.11Å; K150-Y186 HydrophobicContact CG-CG 3.84Å
151	I	98.6	Very high	94.7	Very high	12 Å²	12	51.7 Å²	51.7	6%	0.062	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	121.3	-176.2	-63.7	-178.9	0	0	0	110.1	P123 V128 V149 E172 L175 I182 Y186 C188	P123-I151 HydrophobicContact CB-CG2 3.79Å; V128-I151 HydrophobicContact CG1-CD1 3.95Å; V128-I151 HydrophobicContact CG2-CD1 3.87Å; V128-I151 HydrophobicContact CG2-CG1 4.23Å; V149-I151 HydrophobicContact CG1-CG1 4.15Å; I151-E172 HydrophobicContact CD1-CG 4.22Å; I151-L175 HydrophobicContact CD1-CD1 3.55Å; I151-I182 HydrophobicContact CD1-CD1 4.04Å; I151-I182 HydrophobicContact CD1-CG2 4.29Å; I151-Y186 VanDerWaalsContact O-CE1 3.25Å; I151-Y186 WeakPolarHBondContact O-CE1 3.42Å; I151-C188 WeakPolarHBondContact O-CB 3.23Å
152	E	98.3	Very high	93.9	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.262	C	S	.	.			trans	-127.1	114.5	-177.4	171.7	57.5	-130.7	0	0	111.3	S121 P123 G154 L155 Y186 C188 F189 K190 T211 I215	S121-E152 PolarHBondContact O-N 3Å; P123-E152 VanDerWaalsContact CD-O 3.29Å; P123-E152 WeakPolarHBondContact CD-O 3.3Å; E152-G154 PolarHBondContact O-N 3.12Å; E152-G154 WeakPolarHBondContact OE1-CA 3.37Å; E152-G154 PolarHBondContact OE1-N 3.17Å; E152-L155 HydrophobicContact CB-CD1 3.97Å; E152-L155 HydrophobicContact CB-CG 4.04Å; E152-L155 HydrophobicContact CG-CD1 4.32Å; E152-L155 HydrophobicContact CG-CG 3.89Å; E152-L155 WeakPolarHBondContact O-CB 3.26Å; E152-L155 PolarHBondContact O-N 2.87Å; E152-Y186 HydrophobicContact CB-CE1 4.29Å; E152-Y186 PolarHBondContact OE2-OH 2.95Å; E152-C188 WeakPolarHBondContact OE2-CA 3.24Å; E152-C188 WeakPolarHBondContact OE2-CB 3.28Å; E152-F189 PolarHBondContact OE2-N 3.08Å; E152-K190 PolarHBondContact OE1-N 2.89Å; E152-T211 HydrophobicContact CG-CG2 3.47Å; E152-T211 VanDerWaalsContact CG-CG2 3.47Å; E152-I215 HydrophobicContact CG-CD1 4.13Å
153	G	97.3	Very high	93	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.01	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-61.1	-31.7	179.7	0	0	0	0	0	113.6	L155 F156 K190	G153-L155 PolarHBondContact O-N 2.91Å; G153-L155 VanDerWaalsContact O-N 3.08Å; G153-F156 VanDerWaalsContact O-CB 3.28Å; G153-F156 WeakPolarHBondContact O-CB 3.25Å; G153-F156 PolarHBondContact O-N 3.45Å; G153-K190 WeakPolarHBondContact CA-O 3.35Å; G153-K190 PolarHBondContact N-O 3.43Å
154	G	97.3	Very high	92.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-62.6	-12.9	174.9	0	0	0	0	0	115.2	E152 R207 T211	E152-G154 PolarHBondContact O-N 3.12Å; E152-G154 WeakPolarHBondContact OE1-CA 3.37Å; E152-G154 PolarHBondContact OE1-N 3.17Å; G154-R207 PolarHBondContact O-NH1 3.21Å; G154-T211 VanDerWaalsContact CA-OG1 3.31Å; G154-T211 WeakPolarHBondContact CA-OG1 3.35Å
155	L	97.8	Very high	91.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-91.8	4.7	172.5	-58	177.5	0	0	0	113.4	F120 S122 E152 G153 T211 M212 F227 T229 N233 M236	F120-L155 HydrophobicContact CB-CD1 3.85Å; S122-L155 VanDerWaalsContact CB-O 3.29Å; S122-L155 WeakPolarHBondContact CB-O 3.48Å; S122-L155 PolarHBondContact OG-O 3.14Å; E152-L155 HydrophobicContact CB-CD1 3.97Å; E152-L155 HydrophobicContact CB-CG 4.04Å; E152-L155 HydrophobicContact CG-CD1 4.32Å; E152-L155 HydrophobicContact CG-CG 3.89Å; E152-L155 WeakPolarHBondContact O-CB 3.26Å; E152-L155 PolarHBondContact O-N 2.87Å; G153-L155 PolarHBondContact O-N 2.91Å; G153-L155 VanDerWaalsContact O-N 3.08Å; L155-T211 HydrophobicContact CD2-CG2 4.09Å; L155-T211 HydrophobicContact CG-CG2 4.34Å; L155-M212 HydrophobicContact CD2-CE 3.34Å; L155-F227 HydrophobicContact CD1-CD1 3.87Å; L155-F227 HydrophobicContact CD2-CD1 4.14Å; L155-T229 PolarHBondContact O-OG1 2.92Å; L155-N233 PolarHBondContact O-ND2 3.36Å; L155-M236 HydrophobicContact CD2-CE 4.29Å; L155-M236 HydrophobicContact CD2-SD 4.16Å
156	F	97	Very high	91.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-71.8	147.3	173	-168.2	-124.4	0	0	0	111.8	S122 P123 A124 G153 Q159 P167 F169 I195 R207 H230	S122-F156 WeakPolarHBondContact OG-CA 3.33Å; P123-F156 HydrophobicContact CG-CB 4.26Å; A124-F156 HydrophobicContact CB-CD2 4.16Å; A124-F156 HydrophobicContact CB-CE2 3.99Å; G153-F156 VanDerWaalsContact O-CB 3.28Å; G153-F156 WeakPolarHBondContact O-CB 3.25Å; G153-F156 PolarHBondContact O-N 3.45Å; F156-Q159 HydrophobicContact CD1-CG 4.34Å; F156-Q159 HydrophobicContact CE1-CG 3.53Å; F156-Q159 VanDerWaalsContact CE1-NE2 3.3Å; F156-Q159 HydrophobicContact CZ-CG 4.16Å; F156-P167 HydrophobicContact CZ-CG 3.98Å; F156-F169 AromaticContact CD1-CZ 3.98Å; F156-F169 HydrophobicContact CD1-CZ 3.98Å; F156-F169 HydrophobicContact CD2-CE1 4.02Å; F156-F169 AromaticContact CD2-CZ 3.69Å; F156-F169 HydrophobicContact CD2-CZ 3.69Å; F156-F169 AromaticContact CE1-CZ 3.86Å; F156-F169 HydrophobicContact CE1-CZ 3.86Å; F156-F169 AromaticContact CE2-CE1 3.76Å; F156-F169 HydrophobicContact CE2-CE1 3.76Å; F156-F169 AromaticContact CE2-CZ 3.61Å; F156-F169 HydrophobicContact CE2-CZ 3.61Å; F156-F169 AromaticContact CG-CZ 3.89Å; F156-F169 HydrophobicContact CG-CZ 3.89Å; F156-F169 HydrophobicContact CZ-CE1 4.12Å; F156-F169 AromaticContact CZ-CZ 3.69Å; F156-F169 HydrophobicContact CZ-CZ 3.69Å; F156-I195 HydrophobicContact CD1-CG2 4.35Å; F156-R207 PolarHBondContact O-NH1 3.44Å; F156-R207 PolarHBondContact O-NH2 3.43Å; F156-H230 AromaticContact CD2-NE2 3.78Å
157	E	94.5	Very high	91.3	Very high	40 Å²	40	40.2 Å²	40.2	19%	0.187	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-67.2	168.8	-177.7	68.7	-167.3	147.8	0	0	112.9	R126 Q159 R207 H230 P232	R126-E157 IonicContact CZ-OE1 3.75Å; R126-E157 VanDerWaalsContact NH2-CD 3.29Å; R126-E157 IonicContact NH2-OE1 3.81Å; R126-E157 PolarHBondContact NH2-OE1 3.49Å; R126-E157 IonicContact NH2-OE2 2.56Å; E157-Q159 PolarHBondContact OE1-NE2 2.92Å; E157-Q159 VanDerWaalsContact OE1-NE2 3.16Å; E157-R207 PolarHBondContact O-NH2 2.84Å; E157-H230 HydrophobicContact CB-CB 3.78Å; E157-H230 PolarHBondContact N-CD2 3.31Å; E157-H230 IonicContact OE2-CG 2.71Å; E157-H230 IonicContact OE2-ND1 3.65Å; E157-P232 HydrophobicContact CB-CB 4.35Å; E157-P232 HydrophobicContact CB-CG 4.2Å
158	W	93.2	Very high	91.1	Very high	46 Å²	46	45.3 Å²	45.3	17%	0.174	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-76	125.7	173.8	-169.4	37.8	0	0	0	110.8	F160 E199 F201 F204 W251	W158-F160 HydrophobicContact CD2-CB 4.24Å; W158-F160 VanDerWaalsContact CE2-CB 3.42Å; W158-F160 HydrophobicContact CH2-CB 4.3Å; W158-F160 HydrophobicContact CH2-CD1 4.28Å; W158-F160 HydrophobicContact CZ2-CB 3.47Å; W158-F160 VanDerWaalsContact CZ2-CB 3.47Å; W158-F160 AromaticContact CZ2-CD1 3.96Å; W158-F160 HydrophobicContact CZ2-CD1 3.96Å; W158-F160 AromaticContact CZ2-CG 3.96Å; W158-F160 HydrophobicContact CZ2-CG 3.96Å; W158-E199 VanDerWaalsContact CD1-CG 3.49Å; W158-E199 PolarHBondContact NE1-O 3.4Å; W158-F201 HydrophobicContact CD2-CD2 4.31Å; W158-F201 HydrophobicContact CE3-CD2 4.01Å; W158-F201 HydrophobicContact CH2-CB 3.9Å; W158-F201 HydrophobicContact CH2-CD2 4.23Å; W158-F201 HydrophobicContact CH2-CG 4.49Å; W158-F201 HydrophobicContact CZ2-CB 3.78Å; W158-F201 HydrophobicContact CZ3-CB 4.49Å; W158-F201 AromaticContact CZ3-CD2 3.97Å; W158-F201 HydrophobicContact CZ3-CD2 3.97Å; W158-F204 HydrophobicContact CB-CB 4.38Å; W158-F204 HydrophobicContact CB-CD1 4.04Å; W158-F204 HydrophobicContact CB-CD2 3.66Å; W158-F204 HydrophobicContact CB-CE1 4.23Å; W158-F204 HydrophobicContact CB-CE2 3.87Å; W158-F204 HydrophobicContact CB-CG 3.74Å; W158-F204 HydrophobicContact CB-CZ 4.14Å; W158-F204 AromaticContact CD1-CG 3.91Å; W158-F204 HydrophobicContact CG-CB 4.01Å; W158-F204 HydrophobicContact CG-CD1 4.22Å; W158-F204 HydrophobicContact CG-CD2 4.21Å; W158-F204 AromaticContact CG-CG 3.88Å; W158-F204 HydrophobicContact CG-CG 3.88Å; W158-W251 AromaticContact CE3-CH2 3.75Å; W158-W251 HydrophobicContact CE3-CH2 3.75Å; W158-W251 HydrophobicContact CE3-CZ3 4.05Å; W158-W251 HydrophobicContact CZ3-CH2 4.4Å; W158-W251 HydrophobicContact CZ3-CZ3 4.24Å
159	Q	87	Confident	91	Very high	12 Å²	12	42.4 Å²	42.4	6%	0.056	24%	0.238	C	C	.	.			trans	-102.8	-6.8	-175.8	-70.2	-62.8	-27.9	0	0	114.7	F156 E157 N161 T162	F156-Q159 HydrophobicContact CD1-CG 4.34Å; F156-Q159 HydrophobicContact CE1-CG 3.53Å; F156-Q159 VanDerWaalsContact CE1-NE2 3.3Å; F156-Q159 HydrophobicContact CZ-CG 4.16Å; E157-Q159 PolarHBondContact OE1-NE2 2.92Å; E157-Q159 VanDerWaalsContact OE1-NE2 3.16Å; Q159-N161 PolarHBondContact O-N 3.18Å; Q159-N161 VanDerWaalsContact O-N 3.16Å; Q159-T162 WeakPolarHBondContact O-CG2 3.46Å; Q159-T162 PolarHBondContact O-N 3.32Å; Q159-T162 VanDerWaalsContact O-N 3.15Å; Q159-T162 PolarHBondContact O-OG1 3.38Å; Q159-T162 PolarHBondContact OE1-OG1 3.46Å
160	F	81.9	Confident	90.9	Very high	105 Å²	105	44.4 Å²	44.4	46%	0.461	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	126.1	-173.7	-173.6	-95.5	0	0	0	111.4	W158 T162	W158-F160 HydrophobicContact CD2-CB 4.24Å; W158-F160 VanDerWaalsContact CE2-CB 3.42Å; W158-F160 HydrophobicContact CH2-CB 4.3Å; W158-F160 HydrophobicContact CH2-CD1 4.28Å; W158-F160 HydrophobicContact CZ2-CB 3.47Å; W158-F160 VanDerWaalsContact CZ2-CB 3.47Å; W158-F160 AromaticContact CZ2-CD1 3.96Å; W158-F160 HydrophobicContact CZ2-CD1 3.96Å; W158-F160 AromaticContact CZ2-CG 3.96Å; W158-F160 HydrophobicContact CZ2-CG 3.96Å; F160-T162 VanDerWaalsContact C-N 3.25Å; F160-T162 PolarHBondContact O-N 3.18Å
161	N	78.5	Confident	90.7	Very high	152 Å²	152	44.5 Å²	44.5	81%	0.813	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	23.3	179.1	-155.6	41.2	0	0	0	115.1	Q159 G163	Q159-N161 PolarHBondContact O-N 3.18Å; Q159-N161 VanDerWaalsContact O-N 3.16Å; N161-G163 VanDerWaalsContact C-N 3.32Å
162	T	80.7	Confident	90.7	Very high	70 Å²	70	46.6 Å²	46.6	43%	0.429	27%	0.266	S	S	.	.	S	Bend	trans	-77.6	-19.7	171.3	61.2	0	0	0	0	112.7	Q159 F160 S164	Q159-T162 WeakPolarHBondContact O-CG2 3.46Å; Q159-T162 PolarHBondContact O-N 3.32Å; Q159-T162 VanDerWaalsContact O-N 3.15Å; Q159-T162 PolarHBondContact O-OG1 3.38Å; Q159-T162 PolarHBondContact OE1-OG1 3.46Å; F160-T162 VanDerWaalsContact C-N 3.25Å; F160-T162 PolarHBondContact O-N 3.18Å; T162-S164 PolarHBondContact O-N 3Å; T162-S164 PolarHBondContact OG1-N 3.3Å
163	G	78.6	Confident	90.6	Very high	80 Å²	80	51.4 Å²	51.4	83%	0.825	29%	0.288	S	S	*	.	S	Bend	trans	77	-5.1	-172.3	0	0	0	0	0	114	N161	N161-G163 VanDerWaalsContact C-N 3.32Å
164	S	79.2	Confident	90.5	Very high	62 Å²	62	55.1 Å²	55.1	43%	0.434	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-95.3	138.5	178.5	-63.1	0	0	0	0	110.8	T162	T162-S164 PolarHBondContact O-N 3Å; T162-S164 PolarHBondContact OG1-N 3.3Å
165	P	83.1	Confident	90.5	Very high	87 Å²	87	55.6 Å²	55.6	57%	0.565	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-67.7	156.1	172	30.2	-34.5	0	0	0	110.7	A90 P167	A90-P165 HydrophobicContact CB-CG 4.26Å; P165-P167 WeakPolarHBondContact O-CD 3.48Å
166	T	88.2	Confident	90.5	Very high	39 Å²	39	57.3 Å²	57.3	24%	0.239	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-57	122.8	165.4	-59.4	0	0	0	0	108.2	F169	T166-F169 HydrophobicContact CG2-CE2 4.48Å
167	P	93	Very high	90.5	Very high	5 Å²	5	65.1 Å²	65.1	3%	0.032	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-70.1	150.1	-173.8	-15.2	28	0	0	0	112.4	A90 D91 F156 P165 F169	A90-P167 HydrophobicContact CB-CB 4.23Å; A90-P167 HydrophobicContact CB-CG 4.47Å; A90-P167 VanDerWaalsContact O-CG 3.32Å; A90-P167 WeakPolarHBondContact O-CG 3.25Å; D91-P167 HydrophobicContact CB-CB 3.69Å; D91-P167 HydrophobicContact CB-CG 4.28Å; F156-P167 HydrophobicContact CZ-CG 3.98Å; P165-P167 WeakPolarHBondContact O-CD 3.48Å; P167-F169 HydrophobicContact CB-CD1 4.41Å; P167-F169 HydrophobicContact CB-CE1 4.13Å; P167-F169 HydrophobicContact CG-CE1 4.11Å; P167-F169 HydrophobicContact CG-CZ 4.34Å; P167-F169 PolarHBondContact O-N 2.93Å; P167-F169 VanDerWaalsContact O-N 3.1Å
168	R	93.9	Very high	90.5	Very high	116 Å²	116	66.4 Å²	66.4	44%	0.438	38%	0.382	S	S	.	.			trans	-77.2	90.2	165.7	-69.8	-178.2	-70	-114.4	-13.3	108.8	R77 T83 D87	R77-R168 PolarHBondContact NH2-O 3.48Å; T83-R168 VanDerWaalsContact CG2-CZ 3.41Å; T83-R168 PolarHBondContact O-NH2 3.41Å; D87-R168 VanDerWaalsContact CG-NE 3.35Å; D87-R168 IonicContact OD1-CZ 3.09Å; D87-R168 IonicContact OD1-NE 2.74Å; D87-R168 PolarHBondContact OD1-NE 2.95Å; D87-R168 IonicContact OD1-NH2 2.77Å; D87-R168 PolarHBondContact OD1-NH2 3.02Å; D87-R168 IonicContact OD2-CZ 3.56Å; D87-R168 IonicContact OD2-NE 3.17Å; D87-R168 PolarHBondContact OD2-NE 3.48Å; D87-R168 IonicContact OD2-NH2 3.28Å; D87-R168 PolarHBondContact OD2-NH2 3.09Å
169	F	96	Very high	90.6	Very high	27 Å²	27	67.3 Å²	67.3	12%	0.118	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-58.8	145.8	-179.2	-58.3	-65.2	0	0	0	111.7	P123 A124 F156 T166 P167	P123-F169 HydrophobicContact CB-CB 4.23Å; P123-F169 HydrophobicContact CB-CD1 3.85Å; P123-F169 HydrophobicContact CB-CD2 3.94Å; P123-F169 HydrophobicContact CB-CE1 4.16Å; P123-F169 HydrophobicContact CB-CE2 4.25Å; P123-F169 HydrophobicContact CB-CG 3.72Å; P123-F169 HydrophobicContact CB-CZ 4.35Å; P123-F169 HydrophobicContact CG-CD1 4.12Å; P123-F169 HydrophobicContact CG-CD2 3.97Å; P123-F169 HydrophobicContact CG-CE1 3.92Å; P123-F169 HydrophobicContact CG-CE2 3.76Å; P123-F169 HydrophobicContact CG-CG 4.14Å; P123-F169 HydrophobicContact CG-CZ 3.73Å; P123-F169 VanDerWaalsContact O-CD1 3.3Å; P123-F169 WeakPolarHBondContact O-CD1 3.34Å; A124-F169 HydrophobicContact CB-CE1 4.34Å; F156-F169 AromaticContact CD1-CZ 3.98Å; F156-F169 HydrophobicContact CD1-CZ 3.98Å; F156-F169 HydrophobicContact CD2-CE1 4.02Å; F156-F169 AromaticContact CD2-CZ 3.69Å; F156-F169 HydrophobicContact CD2-CZ 3.69Å; F156-F169 AromaticContact CE1-CZ 3.86Å; F156-F169 HydrophobicContact CE1-CZ 3.86Å; F156-F169 AromaticContact CE2-CE1 3.76Å; F156-F169 HydrophobicContact CE2-CE1 3.76Å; F156-F169 AromaticContact CE2-CZ 3.61Å; F156-F169 HydrophobicContact CE2-CZ 3.61Å; F156-F169 AromaticContact CG-CZ 3.89Å; F156-F169 HydrophobicContact CG-CZ 3.89Å; F156-F169 HydrophobicContact CZ-CE1 4.12Å; F156-F169 AromaticContact CZ-CZ 3.69Å; F156-F169 HydrophobicContact CZ-CZ 3.69Å; T166-F169 HydrophobicContact CG2-CE2 4.48Å; P167-F169 HydrophobicContact CB-CD1 4.41Å; P167-F169 HydrophobicContact CB-CE1 4.13Å; P167-F169 HydrophobicContact CG-CE1 4.11Å; P167-F169 HydrophobicContact CG-CZ 4.34Å; P167-F169 PolarHBondContact O-N 2.93Å; P167-F169 VanDerWaalsContact O-N 3.1Å
170	I	95.9	Very high	91.1	Very high	42 Å²	42	68.2 Å²	68.2	22%	0.215	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-70.2	134.2	176.6	-55.3	-177.3	0	0	0	108.9	L125 D174 L175	L125-I170 HydrophobicContact CD1-CD1 4.1Å; L125-I170 HydrophobicContact CD2-CD1 4.05Å; I170-D174 HydrophobicContact CG2-CB 3.95Å; I170-L175 HydrophobicContact CB-CD1 4.42Å; I170-L175 HydrophobicContact CB-CD2 3.97Å; I170-L175 HydrophobicContact CB-CG 3.99Å; I170-L175 HydrophobicContact CD1-CD2 4.43Å; I170-L175 HydrophobicContact CG2-CD2 4Å; I170-L175 HydrophobicContact CG2-CG 3.81Å; I170-L175 WeakPolarHBondContact O-CD1 3.12Å
171	A	95.2	Very high	91.9	Very high	38 Å²	38	64.4 Å²	64.4	31%	0.314	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-60.6	145.3	178.2	0	0	0	0	0	112	Q173 D174 L175	A171-Q173 PolarHBondContact O-N 3.26Å; A171-D174 PolarHBondContact O-N 3.32Å; A171-L175 PolarHBondContact O-N 3.19Å
172	E	97.1	Very high	92.8	Very high	57 Å²	57	57.8 Å²	57.8	27%	0.266	36%	0.361	S	S	.	.	H	α-helix	trans	-54.4	-39.2	-178.3	-69.2	77.4	-175.3	0	0	112.2	I151 D174 L175 A176 I182 M184	I151-E172 HydrophobicContact CD1-CG 4.22Å; E172-D174 VanDerWaalsContact C-N 3.34Å; E172-D174 PolarHBondContact O-N 2.86Å; E172-L175 PolarHBondContact O-N 2.93Å; E172-A176 WeakPolarHBondContact O-CB 3.41Å; E172-A176 PolarHBondContact O-N 3.45Å; E172-I182 HydrophobicContact CB-CG2 4.03Å; E172-I182 HydrophobicContact CG-CG2 4.25Å; E172-M184 HydrophobicContact CB-CE 3.92Å; E172-M184 HydrophobicContact CB-SD 4.03Å
173	Q	97	Very high	93.7	Very high	101 Å²	101	55.9 Å²	55.9	47%	0.472	35%	0.348	S	S	.	.	H	α-helix	trans	-63.9	-39.6	179	-62.4	75.5	18.2	0	0	111.6	A171 A176 K177 M184	A171-Q173 PolarHBondContact O-N 3.26Å; Q173-A176 PolarHBondContact O-N 3.29Å; Q173-K177 VanDerWaalsContact O-CG 3.29Å; Q173-K177 WeakPolarHBondContact O-CG 3.12Å; Q173-K177 PolarHBondContact O-N 2.78Å; Q173-M184 HydrophobicContact CB-CE 4.44Å; Q173-M184 HydrophobicContact CG-CE 3.65Å
174	D	96.2	Very high	94.6	Very high	79 Å²	79	56.4 Å²	56.4	42%	0.422	33%	0.33	S	S	.	.	H	α-helix	trans	-78.7	-34.1	-178	-63.8	-35.4	0	0	0	111.4	I170 A171 E172 A176 K177 G178	I170-D174 HydrophobicContact CG2-CB 3.95Å; A171-D174 PolarHBondContact O-N 3.32Å; E172-D174 VanDerWaalsContact C-N 3.34Å; E172-D174 PolarHBondContact O-N 2.86Å; D174-A176 VanDerWaalsContact C-N 3.32Å; D174-A176 PolarHBondContact O-N 3.45Å; D174-K177 PolarHBondContact O-N 2.88Å; D174-K177 IonicContact OD1-NZ 2.81Å; D174-K177 PolarHBondContact OD1-NZ 3.41Å; D174-G178 PolarHBondContact O-N 3.33Å
175	L	97.2	Very high	95.5	Very high	9 Å²	9	60.4 Å²	60.4	5%	0.047	35%	0.347	C	S	.	.	H	α-helix	trans	-58.9	-44.3	167.5	-68.9	166.5	0	0	0	111.2	L125 V128 I151 I170 A171 E172 G178 G179 L180 I182	L125-L175 HydrophobicContact CD1-CD2 3.76Å; V128-L175 HydrophobicContact CG1-CD1 4.21Å; V128-L175 HydrophobicContact CG1-CD2 4.48Å; I151-L175 HydrophobicContact CD1-CD1 3.55Å; I170-L175 HydrophobicContact CB-CD1 4.42Å; I170-L175 HydrophobicContact CB-CD2 3.97Å; I170-L175 HydrophobicContact CB-CG 3.99Å; I170-L175 HydrophobicContact CD1-CD2 4.43Å; I170-L175 HydrophobicContact CG2-CD2 4Å; I170-L175 HydrophobicContact CG2-CG 3.81Å; I170-L175 WeakPolarHBondContact O-CD1 3.12Å; A171-L175 PolarHBondContact O-N 3.19Å; E172-L175 PolarHBondContact O-N 2.93Å; L175-G178 PolarHBondContact O-N 2.69Å; L175-G179 PolarHBondContact O-N 2.88Å; L175-L180 HydrophobicContact CB-CD1 4.19Å; L175-L180 HydrophobicContact CD2-CD1 3.71Å; L175-L180 WeakPolarHBondContact O-CB 3.49Å; L175-L180 PolarHBondContact O-N 2.98Å; L175-I182 HydrophobicContact CB-CD1 4.21Å; L175-I182 HydrophobicContact CB-CG1 3.86Å
176	A	97.6	Very high	96.2	Very high	36 Å²	36	58.4 Å²	58.4	30%	0.298	33%	0.328	S	S	.	.	H	α-helix	trans	-65.3	-43	176.7	0	0	0	0	0	112.6	E172 Q173 D174 G178 G179 I182 M184	E172-A176 WeakPolarHBondContact O-CB 3.41Å; E172-A176 PolarHBondContact O-N 3.45Å; Q173-A176 PolarHBondContact O-N 3.29Å; D174-A176 VanDerWaalsContact C-N 3.32Å; D174-A176 PolarHBondContact O-N 3.45Å; A176-G178 PolarHBondContact O-N 3.02Å; A176-G179 PolarHBondContact O-N 2.83Å; A176-I182 HydrophobicContact CB-CB 4.28Å; A176-I182 HydrophobicContact CB-CG1 4.3Å; A176-M184 HydrophobicContact CB-SD 4.23Å
177	K	96.1	Very high	96.5	Very high	164 Å²	164	64.6 Å²	64.6	71%	0.713	35%	0.352	S	S	*	.	H	α-helix	trans	-60	-32.4	172.5	-72.6	172.2	-161.9	159	0	112.2	Q173 D174 G179	Q173-K177 VanDerWaalsContact O-CG 3.29Å; Q173-K177 WeakPolarHBondContact O-CG 3.12Å; Q173-K177 PolarHBondContact O-N 2.78Å; D174-K177 PolarHBondContact O-N 2.88Å; D174-K177 IonicContact OD1-NZ 2.81Å; D174-K177 PolarHBondContact OD1-NZ 3.41Å; K177-G179 PolarHBondContact O-N 2.84Å
178	G	94.7	Very high	96.7	Very high	67 Å²	67	65.5 Å²	65.5	69%	0.691	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-0.7	172.6	0	0	0	0	0	114.7	D174 L175 A176	D174-G178 PolarHBondContact O-N 3.33Å; L175-G178 PolarHBondContact O-N 2.69Å; A176-G178 PolarHBondContact O-N 3.02Å
179	G	95.8	Very high	96.8	Very high	65 Å²	65	63.9 Å²	63.9	67%	0.67	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.8	7.5	176.9	0	0	0	0	0	114.8	L175 A176 K177	L175-G179 PolarHBondContact O-N 2.88Å; A176-G179 PolarHBondContact O-N 2.83Å; K177-G179 PolarHBondContact O-N 2.84Å
180	L	97.7	Very high	96.8	Very high	31 Å²	31	65.8 Å²	65.8	16%	0.162	36%	0.363	C	S	.	.			trans	-77.2	140.7	174.3	-66.1	166.7	0	0	0	110.4	V128 Q129 L175 I182	V128-L180 HydrophobicContact CG1-CD1 3.99Å; Q129-L180 HydrophobicContact CG-CD1 4.46Å; L175-L180 HydrophobicContact CB-CD1 4.19Å; L175-L180 HydrophobicContact CD2-CD1 3.71Å; L175-L180 WeakPolarHBondContact O-CB 3.49Å; L175-L180 PolarHBondContact O-N 2.98Å; L180-I182 HydrophobicContact CB-CD1 3.79Å; L180-I182 HydrophobicContact CB-CG1 4.08Å; L180-I182 PolarHBondContact O-N 2.96Å
181	P	98.2	Very high	96.7	Very high	25 Å²	25	69 Å²	69	16%	0.162	38%	0.377	C	S	.	.			trans	-79	66.8	-175.9	32.3	-34.8	0	0	0	111.1	I135 K148 V149	I135-P181 HydrophobicContact CB-CG 4.2Å; I135-P181 HydrophobicContact CD1-CG 4.07Å; I135-P181 HydrophobicContact CG2-CB 4.43Å; I135-P181 HydrophobicContact CG2-CG 3.9Å; K148-P181 CarbonylContact C-O 3.6Å; K148-P181 WeakPolarHBondContact CA-O 3.38Å; K148-P181 WeakPolarHBondContact CB-O 3.28Å; K148-P181 HydrophobicContact CD-CB 4.02Å; V149-P181 HydrophobicContact CG2-CG 4.25Å; V149-P181 PolarHBondContact N-O 3.1Å
182	I	98.5	Very high	96.5	Very high	14 Å²	14	67.5 Å²	67.5	7%	0.072	37%	0.366	C	S	.	.	B	Isolated β-bridge	trans	-79.4	139.8	-176	-51.1	-51.7	0	0	0	111.6	V128 V149 I151 E172 L175 A176 L180 M184	V128-I182 HydrophobicContact CG1-CD1 3.67Å; V149-I182 HydrophobicContact CB-CD1 4.04Å; I151-I182 HydrophobicContact CD1-CD1 4.04Å; I151-I182 HydrophobicContact CD1-CG2 4.29Å; E172-I182 HydrophobicContact CB-CG2 4.03Å; E172-I182 HydrophobicContact CG-CG2 4.25Å; L175-I182 HydrophobicContact CB-CD1 4.21Å; L175-I182 HydrophobicContact CB-CG1 3.86Å; A176-I182 HydrophobicContact CB-CB 4.28Å; A176-I182 HydrophobicContact CB-CG1 4.3Å; L180-I182 HydrophobicContact CB-CD1 3.79Å; L180-I182 HydrophobicContact CB-CG1 4.08Å; L180-I182 PolarHBondContact O-N 2.96Å; I182-M184 HydrophobicContact CB-SD 4.26Å; I182-M184 HydrophobicContact CG2-SD 3.96Å; I182-M184 PolarHBondContact O-N 3.38Å
183	D	98.4	Very high	96.1	Very high	30 Å²	30	70.3 Å²	70.3	16%	0.16	38%	0.382	C	S	.	.			trans	-85.1	97.7	170.9	-169.8	-16.6	0	0	0	110.9	K148 V149 K150 N185 Y186	K148-D183 HydrophobicContact CB-CB 3.72Å; V149-D183 PolarHBondContact O-N 2.86Å; K150-D183 HydrophobicContact CG-CB 4.04Å; K150-D183 IonicContact NZ-OD2 2.91Å; K150-D183 PolarHBondContact NZ-OD2 2.96Å; D183-N185 PolarHBondContact O-N 3.34Å; D183-N185 WeakPolarHBondContact OD1-CA 3.29Å; D183-N185 WeakPolarHBondContact OD1-CB 3.42Å; D183-N185 PolarHBondContact OD1-N 2.97Å; D183-Y186 PolarHBondContact O-N 3.16Å; D183-Y186 PolarHBondContact OD1-N 2.6Å
184	M	97.7	Very high	95.8	Very high	90 Å²	90	69.2 Å²	69.2	44%	0.443	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-10.3	179.7	-58.7	-53	-55.8	0	0	114.2	E172 Q173 A176 I182	E172-M184 HydrophobicContact CB-CE 3.92Å; E172-M184 HydrophobicContact CB-SD 4.03Å; Q173-M184 HydrophobicContact CB-CE 4.44Å; Q173-M184 HydrophobicContact CG-CE 3.65Å; A176-M184 HydrophobicContact CB-SD 4.23Å; I182-M184 HydrophobicContact CB-SD 4.26Å; I182-M184 HydrophobicContact CG2-SD 3.96Å; I182-M184 PolarHBondContact O-N 3.38Å
185	N	97.5	Very high	95.5	Very high	147 Å²	147	66 Å²	66	79%	0.786	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-9.7	178.4	-61.3	-51.5	0	0	0	112.6	D183 K187	D183-N185 PolarHBondContact O-N 3.34Å; D183-N185 WeakPolarHBondContact OD1-CA 3.29Å; D183-N185 WeakPolarHBondContact OD1-CB 3.42Å; D183-N185 PolarHBondContact OD1-N 2.97Å; N185-K187 PolarHBondContact O-N 3.29Å
186	Y	97.5	Very high	95.1	Very high	44 Å²	44	67.8 Å²	67.8	17%	0.173	39%	0.385	C	S	.	.			trans	-72.4	127.7	178.8	178.7	-116.9	0	0	0	111.3	F120 K150 I151 E152 D183 C188	F120-Y186 HydrophobicContact CD1-CE1 4.4Å; F120-Y186 HydrophobicContact CE1-CD2 4.42Å; F120-Y186 HydrophobicContact CE1-CE1 4.32Å; F120-Y186 AromaticContact CE1-CE2 3.67Å; F120-Y186 HydrophobicContact CE1-CE2 3.67Å; F120-Y186 AromaticContact CE1-CZ 3.6Å; K150-Y186 HydrophobicContact CB-CD1 3.59Å; K150-Y186 HydrophobicContact CB-CD2 4.13Å; K150-Y186 HydrophobicContact CB-CE1 3.93Å; K150-Y186 HydrophobicContact CB-CE2 4.46Å; K150-Y186 HydrophobicContact CB-CG 3.68Å; K150-Y186 HydrophobicContact CD-CD2 3.87Å; K150-Y186 HydrophobicContact CD-CE2 4.32Å; K150-Y186 HydrophobicContact CD-CG 4.13Å; K150-Y186 HydrophobicContact CG-CD1 4.28Å; K150-Y186 HydrophobicContact CG-CD2 4.11Å; K150-Y186 HydrophobicContact CG-CG 3.84Å; I151-Y186 VanDerWaalsContact O-CE1 3.25Å; I151-Y186 WeakPolarHBondContact O-CE1 3.42Å; E152-Y186 HydrophobicContact CB-CE1 4.29Å; E152-Y186 PolarHBondContact OE2-OH 2.95Å; D183-Y186 PolarHBondContact O-N 3.16Å; D183-Y186 PolarHBondContact OD1-N 2.6Å; Y186-C188 HydrophobicContact CE1-CB 3.95Å
187	K	95.9	Very high	94.6	Very high	169 Å²	169	73.5 Å²	73.5	74%	0.735	40%	0.4	S	S	*	.			trans	-99.9	106.1	171.3	-63.2	-178.3	-177.7	179.1	0	108.8	N185 Y214	N185-K187 PolarHBondContact O-N 3.29Å; K187-Y214 PolarHBondContact O-OH 3.07Å
188	C	96.3	Very high	94.3	Very high	25 Å²	25	69.8 Å²	69.8	17%	0.169	39%	0.388	C	S	.	.			trans	-62.2	146.6	176.7	67.5	0	0	0	0	111.4	I151 E152 Y186 K190 Q191	I151-C188 WeakPolarHBondContact O-CB 3.23Å; E152-C188 WeakPolarHBondContact OE2-CA 3.24Å; E152-C188 WeakPolarHBondContact OE2-CB 3.28Å; Y186-C188 HydrophobicContact CE1-CB 3.95Å; C188-K190 PolarHBondContact SG-O 3.22Å; C188-Q191 PolarHBondContact SG-NE2 3.05Å
189	F	96.9	Very high	94.2	Very high	81 Å²	81	67.6 Å²	67.6	36%	0.355	36%	0.36	S	S	.	.	S	Bend	trans	-70	-44.6	171.5	175.5	-122.8	0	0	0	111.5	E152 D210 Y214	E152-F189 PolarHBondContact OE2-N 3.08Å; F189-D210 HydrophobicContact CE1-CB 3.92Å; F189-D210 HydrophobicContact CZ-CB 4.19Å; F189-Y214 HydrophobicContact CB-CD1 3.51Å; F189-Y214 HydrophobicContact CB-CD2 4.15Å; F189-Y214 HydrophobicContact CB-CE1 3.77Å; F189-Y214 HydrophobicContact CB-CE2 4.4Å; F189-Y214 HydrophobicContact CB-CG 3.68Å; F189-Y214 AromaticContact CD2-CD2 3.66Å; F189-Y214 HydrophobicContact CD2-CD2 3.66Å; F189-Y214 HydrophobicContact CD2-CE2 4.18Å; F189-Y214 AromaticContact CD2-CG 3.83Å; F189-Y214 HydrophobicContact CD2-CG 3.83Å; F189-Y214 HydrophobicContact CE2-CD2 4.41Å; F189-Y214 HydrophobicContact CG-CD1 4.19Å; F189-Y214 HydrophobicContact CG-CD2 4.14Å; F189-Y214 AromaticContact CG-CG 3.84Å; F189-Y214 HydrophobicContact CG-CG 3.84Å
190	K	95.6	Very high	94	Very high	68 Å²	68	68.6 Å²	68.6	30%	0.296	35%	0.353	S	S	.	.	S	Bend	trans	-124.3	133.2	174.5	-73.5	-178.2	179.4	-69	0	110.3	E152 G153 C188 I195 R207	E152-K190 PolarHBondContact OE1-N 2.89Å; G153-K190 WeakPolarHBondContact CA-O 3.35Å; G153-K190 PolarHBondContact N-O 3.43Å; C188-K190 PolarHBondContact SG-O 3.22Å; K190-I195 HydrophobicContact CB-CD1 4.49Å; K190-I195 HydrophobicContact CD-CD1 4.39Å; K190-R207 HydrophobicContact CD-CG 3.78Å
191	Q	94.3	Very high	93.7	Very high	108 Å²	108	68.6 Å²	68.6	51%	0.505	35%	0.352	S	S	.	.			trans	-72.5	140.5	169.6	-67.1	-67.5	-15.7	0	0	109.5	C188 N193 S194	C188-Q191 PolarHBondContact SG-NE2 3.05Å; Q191-N193 VanDerWaalsContact C-N 3.27Å; Q191-N193 PolarHBondContact O-N 3.26Å; Q191-S194 PolarHBondContact O-N 2.69Å; Q191-S194 VanDerWaalsContact O-N 3.14Å; Q191-S194 PolarHBondContact O-OG 3.02Å
192	G	90.6	Very high	93.5	Very high	8 Å²	8	74.8 Å²	74.8	8%	0.082	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-59.5	-39.5	178.4	0	0	0	0	0	112.6	S194 I195	G192-S194 PolarHBondContact O-N 3.42Å; G192-I195 WeakPolarHBondContact O-CB 3.29Å; G192-I195 VanDerWaalsContact O-CG1 3.24Å; G192-I195 WeakPolarHBondContact O-CG1 3.31Å; G192-I195 PolarHBondContact O-N 3.01Å
193	N	87.7	Confident	93.3	Very high	115 Å²	115	75.5 Å²	75.5	62%	0.615	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-72	-8	-179.4	-63	-19.6	0	0	0	113.8	Q191	Q191-N193 VanDerWaalsContact C-N 3.27Å; Q191-N193 PolarHBondContact O-N 3.26Å
194	S	90.7	Very high	93.1	Very high	79 Å²	79	74.1 Å²	74.1	55%	0.552	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-94.9	1.4	176	72.1	0	0	0	0	113.7	Q191 G192 A196	Q191-S194 PolarHBondContact O-N 2.69Å; Q191-S194 VanDerWaalsContact O-N 3.14Å; Q191-S194 PolarHBondContact O-OG 3.02Å; G192-S194 PolarHBondContact O-N 3.42Å; S194-A196 PolarHBondContact O-N 3.13Å
195	I	91.2	Very high	92.9	Very high	10 Å²	10	70.2 Å²	70.2	5%	0.051	36%	0.363	C	S	.	.	S	Bend	trans	-76	119.7	177.7	-53.3	-63	0	0	0	109.6	F156 K190 G192 Y197 R207	F156-I195 HydrophobicContact CD1-CG2 4.35Å; K190-I195 HydrophobicContact CB-CD1 4.49Å; K190-I195 HydrophobicContact CD-CD1 4.39Å; G192-I195 WeakPolarHBondContact O-CB 3.29Å; G192-I195 VanDerWaalsContact O-CG1 3.24Å; G192-I195 WeakPolarHBondContact O-CG1 3.31Å; G192-I195 PolarHBondContact O-N 3.01Å; I195-Y197 PolarHBondContact O-N 3.32Å; I195-R207 VanDerWaalsContact CD1-CD 3.46Å
196	A	88.6	Confident	92.8	Very high	48 Å²	48	67.7 Å²	67.7	40%	0.397	35%	0.346	S	S	.	.			trans	-70.1	124.6	-179.4	0	0	0	0	0	110.9	S194 N198 E199	S194-A196 PolarHBondContact O-N 3.13Å; A196-N198 PolarHBondContact O-N 2.84Å; A196-E199 HydrophobicContact CB-CB 4.41Å; A196-E199 WeakPolarHBondContact O-CB 3.44Å; A196-E199 PolarHBondContact O-N 2.88Å
197	Y	86.5	Confident	92.7	Very high	156 Å²	156	66.2 Å²	66.2	61%	0.612	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-28.5	178.3	80.5	-87.7	0	0	0	112.7	I195	I195-Y197 PolarHBondContact O-N 3.32Å
198	N	89.7	Confident	92.7	Very high	85 Å²	85	58.2 Å²	58.2	46%	0.455	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	18.5	-177.5	67	-19.1	0	0	0	113.4	A196 T200	A196-N198 PolarHBondContact O-N 2.84Å; N198-T200 PolarHBondContact O-N 3.27Å
199	E	92.4	Very high	92.7	Very high	21 Å²	21	57.6 Å²	57.6	10%	0.098	30%	0.301	C	S	.	.			trans	-57.1	137.2	178.9	71	-177.3	173.6	0	0	111	W158 A196 F204 R207	W158-E199 VanDerWaalsContact CD1-CG 3.49Å; W158-E199 PolarHBondContact NE1-O 3.4Å; A196-E199 HydrophobicContact CB-CB 4.41Å; A196-E199 WeakPolarHBondContact O-CB 3.44Å; A196-E199 PolarHBondContact O-N 2.88Å; E199-F204 HydrophobicContact CG-CB 4.24Å; E199-R207 IonicContact OE1-CZ 2.77Å; E199-R207 IonicContact OE1-NE 2.67Å; E199-R207 IonicContact OE1-NH2 3.34Å; E199-R207 PolarHBondContact OE1-NH2 2.99Å; E199-R207 IonicContact OE2-CZ 3.72Å; E199-R207 IonicContact OE2-NE 3.16Å; E199-R207 PolarHBondContact OE2-NE 2.82Å; E199-R207 IonicContact OE2-NH2 3.82Å; E199-R207 PolarHBondContact OE2-NH2 3.44Å
200	T	93.1	Very high	92.7	Very high	87 Å²	87	56 Å²	56	53%	0.534	30%	0.297	S	S	.	.			trans	-70.3	162.2	175.7	65.8	0	0	0	0	110.3	N198 E202 G203 F204	N198-T200 PolarHBondContact O-N 3.27Å; T200-E202 PolarHBondContact O-N 3.03Å; T200-G203 PolarHBondContact O-N 3.42Å; T200-G203 VanDerWaalsContact O-N 3.09Å; T200-G203 PolarHBondContact OG1-N 2.82Å; T200-F204 WeakPolarHBondContact O-CB 3.44Å; T200-F204 PolarHBondContact O-N 3.16Å
201	F	91.7	Very high	92.8	Very high	30 Å²	30	52.8 Å²	52.8	13%	0.132	28%	0.283	C	S	.	.	H	α-helix	trans	-57.8	-36.6	174.2	-175.9	-112.3	0	0	0	112	W158 F204 N205 T248 W251	W158-F201 HydrophobicContact CD2-CD2 4.31Å; W158-F201 HydrophobicContact CE3-CD2 4.01Å; W158-F201 HydrophobicContact CH2-CB 3.9Å; W158-F201 HydrophobicContact CH2-CD2 4.23Å; W158-F201 HydrophobicContact CH2-CG 4.49Å; W158-F201 HydrophobicContact CZ2-CB 3.78Å; W158-F201 HydrophobicContact CZ3-CB 4.49Å; W158-F201 AromaticContact CZ3-CD2 3.97Å; W158-F201 HydrophobicContact CZ3-CD2 3.97Å; F201-F204 HydrophobicContact CD2-CD1 4.22Å; F201-F204 HydrophobicContact CE2-CD1 4.27Å; F201-F204 HydrophobicContact CE2-CE1 4.49Å; F201-N205 WeakPolarHBondContact CD1-ND2 3.27Å; F201-N205 WeakPolarHBondContact CE1-ND2 2.88Å; F201-N205 WeakPolarHBondContact CZ-ND2 3Å; F201-N205 PolarHBondContact O-N 3.4Å; F201-N205 VanDerWaalsContact O-N 3.09Å; F201-N205 PolarHBondContact O-ND2 3.07Å; F201-T248 HydrophobicContact CD1-CG2 4.34Å; F201-T248 HydrophobicContact CE1-CG2 4.22Å; F201-T248 VanDerWaalsContact CE1-OG1 3.29Å; F201-T248 WeakPolarHBondContact CE1-OG1 3.5Å; F201-T248 HydrophobicContact CZ-CG2 4.41Å; F201-W251 AromaticContact CE2-CD2 3.64Å; F201-W251 HydrophobicContact CE2-CD2 3.64Å; F201-W251 AromaticContact CE2-CE2 3.71Å; F201-W251 AromaticContact CE2-CE3 3.76Å; F201-W251 HydrophobicContact CE2-CE3 3.76Å; F201-W251 HydrophobicContact CE2-CG 4.18Å; F201-W251 HydrophobicContact CE2-CH2 4.08Å; F201-W251 AromaticContact CE2-CZ2 3.9Å; F201-W251 HydrophobicContact CE2-CZ2 3.9Å; F201-W251 HydrophobicContact CE2-CZ3 4.01Å; F201-W251 HydrophobicContact CZ-CB 4.39Å; F201-W251 AromaticContact CZ-CD2 3.92Å; F201-W251 HydrophobicContact CZ-CD2 3.92Å; F201-W251 HydrophobicContact CZ-CE3 4.26Å; F201-W251 AromaticContact CZ-CG 3.97Å; F201-W251 HydrophobicContact CZ-CG 3.97Å
202	E	92.1	Very high	92.9	Very high	155 Å²	155	47.7 Å²	47.7	72%	0.724	26%	0.258	S	S	*	.	H	α-helix	trans	-65.4	-46.3	173.8	-175.3	175.6	-170.9	0	0	111.7	T200 F204 N205 Q206	T200-E202 PolarHBondContact O-N 3.03Å; E202-F204 PolarHBondContact O-N 2.93Å; E202-N205 PolarHBondContact O-N 3.03Å; E202-Q206 WeakPolarHBondContact O-CB 3.38Å; E202-Q206 PolarHBondContact O-N 3.2Å
203	G	94.3	Very high	93.1	Very high	29 Å²	29	52.7 Å²	52.7	30%	0.299	28%	0.275	S	S	.	.	H	α-helix	trans	-60.2	-43	177	0	0	0	0	0	113	T200 Q206 R207	T200-G203 PolarHBondContact O-N 3.42Å; T200-G203 VanDerWaalsContact O-N 3.09Å; T200-G203 PolarHBondContact OG1-N 2.82Å; G203-Q206 PolarHBondContact O-N 3.17Å; G203-R207 VanDerWaalsContact O-CB 3.28Å; G203-R207 WeakPolarHBondContact O-CB 3.14Å; G203-R207 PolarHBondContact O-N 2.87Å
204	F	94.3	Very high	93.6	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.009	26%	0.264	C	S	.	.	H	α-helix	trans	-56.4	-51.5	172.2	162.7	-108.5	0	0	0	111.8	W158 E199 T200 F201 E202 Q206 R207 C208 P232 N233 W251	W158-F204 HydrophobicContact CB-CB 4.38Å; W158-F204 HydrophobicContact CB-CD1 4.04Å; W158-F204 HydrophobicContact CB-CD2 3.66Å; W158-F204 HydrophobicContact CB-CE1 4.23Å; W158-F204 HydrophobicContact CB-CE2 3.87Å; W158-F204 HydrophobicContact CB-CG 3.74Å; W158-F204 HydrophobicContact CB-CZ 4.14Å; W158-F204 AromaticContact CD1-CG 3.91Å; W158-F204 HydrophobicContact CG-CB 4.01Å; W158-F204 HydrophobicContact CG-CD1 4.22Å; W158-F204 HydrophobicContact CG-CD2 4.21Å; W158-F204 AromaticContact CG-CG 3.88Å; W158-F204 HydrophobicContact CG-CG 3.88Å; E199-F204 HydrophobicContact CG-CB 4.24Å; T200-F204 WeakPolarHBondContact O-CB 3.44Å; T200-F204 PolarHBondContact O-N 3.16Å; F201-F204 HydrophobicContact CD2-CD1 4.22Å; F201-F204 HydrophobicContact CE2-CD1 4.27Å; F201-F204 HydrophobicContact CE2-CE1 4.49Å; E202-F204 PolarHBondContact O-N 2.93Å; F204-Q206 PolarHBondContact O-N 3.11Å; F204-R207 WeakPolarHBondContact O-CB 2.95Å; F204-R207 PolarHBondContact O-N 2.56Å; F204-C208 VanDerWaalsContact CE2-SG 3.6Å; F204-C208 PolarHBondContact O-N 3.34Å; F204-C208 PolarHBondContact O-SG 3.26Å; F204-P232 HydrophobicContact CZ-CB 4.01Å; F204-N233 VanDerWaalsContact CE2-OD1 3.29Å; F204-N233 WeakPolarHBondContact CE2-OD1 3.12Å; F204-N233 WeakPolarHBondContact CZ-OD1 3.4Å; F204-W251 AromaticContact CE1-CZ2 3.91Å; F204-W251 HydrophobicContact CE1-CZ2 3.91Å; F204-W251 HydrophobicContact CZ-CZ2 4.45Å
205	N	94.3	Very high	93.9	Very high	8 Å²	8	48 Å²	48	4%	0.043	24%	0.237	C	C	.	.	H	α-helix	trans	-64.3	-41.3	-179.7	-77	-57.7	0	0	0	112.3	F201 E202 C208 V209 R239	F201-N205 WeakPolarHBondContact CD1-ND2 3.27Å; F201-N205 WeakPolarHBondContact CE1-ND2 2.88Å; F201-N205 WeakPolarHBondContact CZ-ND2 3Å; F201-N205 PolarHBondContact O-N 3.4Å; F201-N205 VanDerWaalsContact O-N 3.09Å; F201-N205 PolarHBondContact O-ND2 3.07Å; E202-N205 PolarHBondContact O-N 3.03Å; N205-C208 PolarHBondContact O-N 3.27Å; N205-V209 WeakPolarHBondContact O-CG2 3.25Å; N205-V209 PolarHBondContact O-N 2.84Å; N205-R239 VanDerWaalsContact CG-CZ 3.49Å; N205-R239 WeakPolarHBondContact OD1-CD 3.14Å; N205-R239 PolarHBondContact OD1-NE 2.91Å
206	Q	95	Very high	94.1	Very high	93 Å²	93	47.6 Å²	47.6	44%	0.435	24%	0.235	S	C	.	.	H	α-helix	trans	-62.6	-45.3	177.1	-174.8	54.5	50.2	0	0	110.8	E202 G203 F204 C208 V209 D210	E202-Q206 WeakPolarHBondContact O-CB 3.38Å; E202-Q206 PolarHBondContact O-N 3.2Å; G203-Q206 PolarHBondContact O-N 3.17Å; F204-Q206 PolarHBondContact O-N 3.11Å; Q206-C208 VanDerWaalsContact C-N 3.35Å; Q206-C208 PolarHBondContact O-N 3.37Å; Q206-V209 PolarHBondContact O-N 2.87Å; Q206-D210 PolarHBondContact NE2-OD1 3.45Å; Q206-D210 PolarHBondContact NE2-OD2 2.92Å; Q206-D210 PolarHBondContact O-N 3.15Å
207	R	96.2	Very high	94.4	Very high	13 Å²	13	51.7 Å²	51.7	5%	0.049	25%	0.25	C	S	.	.	H	α-helix	trans	-54.4	-49.1	172.7	167.9	170.9	67.6	82	-17	111.7	G154 F156 E157 K190 I195 E199 G203 F204 V209 D210 T211	G154-R207 PolarHBondContact O-NH1 3.21Å; F156-R207 PolarHBondContact O-NH1 3.44Å; F156-R207 PolarHBondContact O-NH2 3.43Å; E157-R207 PolarHBondContact O-NH2 2.84Å; K190-R207 HydrophobicContact CD-CG 3.78Å; I195-R207 VanDerWaalsContact CD1-CD 3.46Å; E199-R207 IonicContact OE1-CZ 2.77Å; E199-R207 IonicContact OE1-NE 2.67Å; E199-R207 IonicContact OE1-NH2 3.34Å; E199-R207 PolarHBondContact OE1-NH2 2.99Å; E199-R207 IonicContact OE2-CZ 3.72Å; E199-R207 IonicContact OE2-NE 3.16Å; E199-R207 PolarHBondContact OE2-NE 2.82Å; E199-R207 IonicContact OE2-NH2 3.82Å; E199-R207 PolarHBondContact OE2-NH2 3.44Å; G203-R207 VanDerWaalsContact O-CB 3.28Å; G203-R207 WeakPolarHBondContact O-CB 3.14Å; G203-R207 PolarHBondContact O-N 2.87Å; F204-R207 WeakPolarHBondContact O-CB 2.95Å; F204-R207 PolarHBondContact O-N 2.56Å; R207-V209 VanDerWaalsContact C-N 3.33Å; R207-V209 PolarHBondContact O-N 2.73Å; R207-D210 PolarHBondContact O-N 3.23Å; R207-T211 WeakPolarHBondContact O-CB 3.36Å; R207-T211 PolarHBondContact O-N 2.65Å; R207-T211 PolarHBondContact O-OG1 2.87Å; R207-T211 VanDerWaalsContact O-OG1 3.1Å
208	C	95.8	Very high	94.7	Very high	2 Å²	2	48 Å²	48	1%	0.014	25%	0.247	C	C	.	.	H	α-helix	trans	-61.1	-41.8	179.1	-66.5	0	0	0	0	112.2	F204 N205 Q206 M212 M236	F204-C208 VanDerWaalsContact CE2-SG 3.6Å; F204-C208 PolarHBondContact O-N 3.34Å; F204-C208 PolarHBondContact O-SG 3.26Å; N205-C208 PolarHBondContact O-N 3.27Å; Q206-C208 VanDerWaalsContact C-N 3.35Å; Q206-C208 PolarHBondContact O-N 3.37Å; C208-M212 VanDerWaalsContact O-CG 3.26Å; C208-M212 WeakPolarHBondContact O-CG 3.42Å; C208-M212 PolarHBondContact O-N 2.85Å; C208-M236 HydrophobicContact CB-CB 3.78Å; C208-M236 HydrophobicContact CB-SD 4.49Å
209	V	96	Very high	95	Very high	11 Å²	11	44.4 Å²	44.4	7%	0.067	23%	0.228	C	C	.	.	H	α-helix	trans	-64.5	-44.2	177.9	171.6	0	0	0	0	111.5	N205 Q206 R207 M212 R213 R239	N205-V209 WeakPolarHBondContact O-CG2 3.25Å; N205-V209 PolarHBondContact O-N 2.84Å; Q206-V209 PolarHBondContact O-N 2.87Å; R207-V209 VanDerWaalsContact C-N 3.33Å; R207-V209 PolarHBondContact O-N 2.73Å; V209-M212 PolarHBondContact O-N 2.87Å; V209-R213 WeakPolarHBondContact O-CG 3.29Å; V209-R213 PolarHBondContact O-N 3.37Å; V209-R239 HydrophobicContact CG2-CB 3.6Å
210	D	96.8	Very high	95.1	Very high	49 Å²	49	46.3 Å²	46.3	26%	0.262	24%	0.242	S	C	.	.	H	α-helix	trans	-67.3	-38.6	-180	-66.3	-26.9	0	0	0	111.9	F189 Q206 R207 R213 Y214	F189-D210 HydrophobicContact CE1-CB 3.92Å; F189-D210 HydrophobicContact CZ-CB 4.19Å; Q206-D210 PolarHBondContact NE2-OD1 3.45Å; Q206-D210 PolarHBondContact NE2-OD2 2.92Å; Q206-D210 PolarHBondContact O-N 3.15Å; R207-D210 PolarHBondContact O-N 3.23Å; D210-R213 PolarHBondContact O-N 2.98Å; D210-R213 IonicContact OD1-NH1 3.08Å; D210-R213 PolarHBondContact OD1-NH1 2.71Å; D210-Y214 PolarHBondContact O-N 3.39Å
211	T	97.5	Very high	95	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.5	-44.8	171.3	-66.7	0	0	0	0	111.9	E152 G154 L155 R207 R213 Y214 I215	E152-T211 HydrophobicContact CG-CG2 3.47Å; E152-T211 VanDerWaalsContact CG-CG2 3.47Å; G154-T211 VanDerWaalsContact CA-OG1 3.31Å; G154-T211 WeakPolarHBondContact CA-OG1 3.35Å; L155-T211 HydrophobicContact CD2-CG2 4.09Å; L155-T211 HydrophobicContact CG-CG2 4.34Å; R207-T211 WeakPolarHBondContact O-CB 3.36Å; R207-T211 PolarHBondContact O-N 2.65Å; R207-T211 PolarHBondContact O-OG1 2.87Å; R207-T211 VanDerWaalsContact O-OG1 3.1Å; T211-R213 VanDerWaalsContact C-N 3.35Å; T211-R213 PolarHBondContact O-N 2.86Å; T211-Y214 PolarHBondContact O-N 2.91Å; T211-I215 HydrophobicContact CG2-CD1 3.89Å; T211-I215 WeakPolarHBondContact O-CG1 3.45Å; T211-I215 PolarHBondContact O-N 2.73Å
212	M	96.1	Very high	95	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-61.2	-42.7	175.9	-72.9	-69.4	117	0	0	111.5	L155 C208 V209 I215 M216 F227 M236 F237 Y240	L155-M212 HydrophobicContact CD2-CE 3.34Å; C208-M212 VanDerWaalsContact O-CG 3.26Å; C208-M212 WeakPolarHBondContact O-CG 3.42Å; C208-M212 PolarHBondContact O-N 2.85Å; V209-M212 PolarHBondContact O-N 2.87Å; M212-I215 PolarHBondContact O-N 3.18Å; M212-M216 WeakPolarHBondContact O-CB 3.36Å; M212-M216 WeakPolarHBondContact O-CG 3.42Å; M212-M216 PolarHBondContact O-N 2.74Å; M212-F227 HydrophobicContact CE-CD1 3.68Å; M212-F227 HydrophobicContact CE-CE1 3.5Å; M212-F227 HydrophobicContact CE-CE2 4.4Å; M212-F227 HydrophobicContact CE-CG 4.21Å; M212-F227 HydrophobicContact CE-CZ 3.89Å; M212-F227 HydrophobicContact SD-CE1 4.2Å; M212-F227 HydrophobicContact SD-CE2 4.23Å; M212-F227 HydrophobicContact SD-CZ 3.96Å; M212-M236 HydrophobicContact CE-CE 4Å; M212-M236 HydrophobicContact CE-CG 4.45Å; M212-M236 HydrophobicContact CE-SD 3.53Å; M212-M236 VanDerWaalsContact CE-SD 3.53Å; M212-M236 HydrophobicContact CG-CG 4.26Å; M212-M236 HydrophobicContact CG-SD 4.29Å; M212-M236 HydrophobicContact SD-CG 4.37Å; M212-M236 HydrophobicContact SD-SD 4.18Å; M212-F237 HydrophobicContact SD-CD2 4.06Å; M212-F237 HydrophobicContact SD-CE2 4.49Å; M212-Y240 HydrophobicContact CB-CD2 3.6Å; M212-Y240 HydrophobicContact CB-CE2 4.22Å; M212-Y240 HydrophobicContact CB-CG 3.83Å
213	R	95.9	Very high	95.2	Very high	113 Å²	113	39.7 Å²	39.7	43%	0.426	22%	0.221	S	C	.	.	H	α-helix	trans	-58.9	-54.1	175.6	-72.7	170.5	-178.4	150.3	-4.2	111.5	V209 D210 T211 I215 M216 D217 Y240	V209-R213 WeakPolarHBondContact O-CG 3.29Å; V209-R213 PolarHBondContact O-N 3.37Å; D210-R213 PolarHBondContact O-N 2.98Å; D210-R213 IonicContact OD1-NH1 3.08Å; D210-R213 PolarHBondContact OD1-NH1 2.71Å; T211-R213 VanDerWaalsContact C-N 3.35Å; T211-R213 PolarHBondContact O-N 2.86Å; R213-I215 VanDerWaalsContact C-N 3.29Å; R213-I215 PolarHBondContact O-N 3.44Å; R213-M216 PolarHBondContact O-N 3.16Å; R213-D217 WeakPolarHBondContact O-CB 3.12Å; R213-D217 PolarHBondContact O-N 3.33Å; R213-Y240 HydrophobicContact CB-CE2 4.47Å; R213-Y240 HydrophobicContact CG-CD2 3.99Å; R213-Y240 HydrophobicContact CG-CE2 3.78Å
214	Y	96.9	Very high	95.3	Very high	96 Å²	96	39 Å²	39	38%	0.376	21%	0.212	S	C	.	.	H	α-helix	trans	-54.1	-46.7	179.4	175.3	-90.6	0	0	0	112.2	K187 F189 D210 T211	K187-Y214 PolarHBondContact O-OH 3.07Å; F189-Y214 HydrophobicContact CB-CD1 3.51Å; F189-Y214 HydrophobicContact CB-CD2 4.15Å; F189-Y214 HydrophobicContact CB-CE1 3.77Å; F189-Y214 HydrophobicContact CB-CE2 4.4Å; F189-Y214 HydrophobicContact CB-CG 3.68Å; F189-Y214 AromaticContact CD2-CD2 3.66Å; F189-Y214 HydrophobicContact CD2-CD2 3.66Å; F189-Y214 HydrophobicContact CD2-CE2 4.18Å; F189-Y214 AromaticContact CD2-CG 3.83Å; F189-Y214 HydrophobicContact CD2-CG 3.83Å; F189-Y214 HydrophobicContact CE2-CD2 4.41Å; F189-Y214 HydrophobicContact CG-CD1 4.19Å; F189-Y214 HydrophobicContact CG-CD2 4.14Å; F189-Y214 AromaticContact CG-CG 3.84Å; F189-Y214 HydrophobicContact CG-CG 3.84Å; D210-Y214 PolarHBondContact O-N 3.39Å; T211-Y214 PolarHBondContact O-N 2.91Å
215	I	97.3	Very high	95.4	Very high	1 Å²	1	39 Å²	39	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-65.7	-56.8	179.8	-68.5	172.8	0	0	0	109.6	F120 E152 T211 M212 R213 D217 S218 I219 F227	F120-I215 HydrophobicContact CD1-CD1 3.73Å; F120-I215 HydrophobicContact CD1-CG1 4.25Å; F120-I215 HydrophobicContact CD1-CG2 4.4Å; F120-I215 HydrophobicContact CD2-CG2 4.14Å; F120-I215 HydrophobicContact CE1-CD1 3.95Å; F120-I215 HydrophobicContact CE1-CG1 3.94Å; F120-I215 HydrophobicContact CE1-CG2 3.89Å; F120-I215 HydrophobicContact CE2-CG2 3.59Å; F120-I215 HydrophobicContact CG-CD1 4.19Å; F120-I215 HydrophobicContact CZ-CB 4.48Å; F120-I215 HydrophobicContact CZ-CG1 4.37Å; F120-I215 HydrophobicContact CZ-CG2 3.45Å; F120-I215 VanDerWaalsContact CZ-CG2 3.45Å; E152-I215 HydrophobicContact CG-CD1 4.13Å; T211-I215 HydrophobicContact CG2-CD1 3.89Å; T211-I215 WeakPolarHBondContact O-CG1 3.45Å; T211-I215 PolarHBondContact O-N 2.73Å; M212-I215 PolarHBondContact O-N 3.18Å; R213-I215 VanDerWaalsContact C-N 3.29Å; R213-I215 PolarHBondContact O-N 3.44Å; I215-D217 PolarHBondContact O-N 3.02Å; I215-S218 PolarHBondContact O-N 2.95Å; I215-S218 PolarHBondContact O-OG 3.29Å; I215-I219 HydrophobicContact CG2-CD1 4.22Å; I215-I219 HydrophobicContact CG2-CG1 4.13Å; I215-I219 WeakPolarHBondContact O-CG1 3.49Å; I215-I219 PolarHBondContact O-N 3.15Å; I215-F227 HydrophobicContact CD1-CE1 3.74Å; I215-F227 HydrophobicContact CG2-CE1 3.93Å; I215-F227 HydrophobicContact CG2-CZ 3.88Å
216	M	95.2	Very high	95.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-64.8	-25.5	-171.2	-66.3	-52.6	-59.8	0	0	113.4	R33 V35 M212 R213 S218 I219 F227 Y240 W274	R33-M216 PolarHBondContact NH1-O 3.35Å; V35-M216 HydrophobicContact CG2-CE 3.62Å; V35-M216 HydrophobicContact CG2-SD 3.77Å; M212-M216 WeakPolarHBondContact O-CB 3.36Å; M212-M216 WeakPolarHBondContact O-CG 3.42Å; M212-M216 PolarHBondContact O-N 2.74Å; R213-M216 PolarHBondContact O-N 3.16Å; M216-S218 PolarHBondContact O-N 3.18Å; M216-I219 HydrophobicContact CE-CB 4.22Å; M216-I219 HydrophobicContact CE-CG1 4.37Å; M216-I219 HydrophobicContact CE-CG2 4.31Å; M216-I219 PolarHBondContact O-N 3.18Å; M216-I219 HydrophobicContact SD-CG1 4.04Å; M216-F227 HydrophobicContact SD-CE2 4.41Å; M216-F227 HydrophobicContact SD-CZ 4.14Å; M216-Y240 WeakPolarHBondContact CB-OH 3.42Å; M216-Y240 HydrophobicContact CG-CE1 4.32Å; M216-W274 HydrophobicContact CE-CH2 3.61Å; M216-W274 HydrophobicContact CE-CZ2 3.86Å
217	D	94.4	Very high	95.8	Very high	134 Å²	134	34.1 Å²	34.1	72%	0.717	19%	0.188	S	C	*	.	H	α-helix	trans	-62.6	-27.6	172.7	-73.5	-10.8	0	0	0	112.6	R213 I215	R213-D217 WeakPolarHBondContact O-CB 3.12Å; R213-D217 PolarHBondContact O-N 3.33Å; I215-D217 PolarHBondContact O-N 3.02Å
218	S	93.9	Very high	95.9	Very high	79 Å²	79	33.5 Å²	33.5	55%	0.552	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92	-8.8	176.9	73.1	0	0	0	0	114.4	I215 M216	I215-S218 PolarHBondContact O-N 2.95Å; I215-S218 PolarHBondContact O-OG 3.29Å; M216-S218 PolarHBondContact O-N 3.18Å
219	I	95.6	Very high	96	Very high	9 Å²	9	33.4 Å²	33.4	5%	0.046	19%	0.185	C	C	.	.	S	Bend	trans	-85.7	121	-174.7	-58.7	-57.9	0	0	0	110.2	R33 Y118 F120 I215 M216 A223 V225	R33-I219 WeakPolarHBondContact CD-O 3.23Å; R33-I219 HydrophobicContact CG-CG2 4.27Å; Y118-I219 HydrophobicContact CD1-CD1 4.21Å; Y118-I219 HydrophobicContact CD2-CD1 4.05Å; Y118-I219 HydrophobicContact CE2-CD1 4.39Å; Y118-I219 HydrophobicContact CG-CD1 3.97Å; F120-I219 HydrophobicContact CE2-CD1 4.03Å; F120-I219 HydrophobicContact CZ-CD1 4.27Å; I215-I219 HydrophobicContact CG2-CD1 4.22Å; I215-I219 HydrophobicContact CG2-CG1 4.13Å; I215-I219 WeakPolarHBondContact O-CG1 3.49Å; I215-I219 PolarHBondContact O-N 3.15Å; M216-I219 HydrophobicContact CE-CB 4.22Å; M216-I219 HydrophobicContact CE-CG1 4.37Å; M216-I219 HydrophobicContact CE-CG2 4.31Å; M216-I219 PolarHBondContact O-N 3.18Å; M216-I219 HydrophobicContact SD-CG1 4.04Å; I219-A223 HydrophobicContact CG2-CB 3.93Å; I219-V225 HydrophobicContact CB-CG2 4.28Å; I219-V225 HydrophobicContact CD1-CG2 3.82Å; I219-V225 HydrophobicContact CG1-CG2 3.82Å; I219-V225 HydrophobicContact CG2-CG2 3.48Å; I219-V225 VanDerWaalsContact CG2-CG2 3.48Å
220	P	94.2	Very high	96.1	Very high	61 Å²	61	33 Å²	33	40%	0.396	18%	0.182	S	C	.	.	P	Polyproline II helix	trans	-67.6	152.2	179.5	27.6	-33	0	0	0	111.9	R33 Y118 G222 A223	R33-P220 VanDerWaalsContact CG-O 3.3Å; R33-P220 WeakPolarHBondContact CG-O 3.23Å; Y118-P220 HydrophobicContact CE2-CG 4.1Å; Y118-P220 WeakPolarHBondContact OH-CD 3.35Å; Y118-P220 WeakPolarHBondContact OH-CG 3.3Å; P220-G222 PolarHBondContact O-N 2.87Å; P220-A223 HydrophobicContact CG-CB 4.05Å; P220-A223 WeakPolarHBondContact O-CB 3.45Å; P220-A223 PolarHBondContact O-N 3.5Å
221	T	91.7	Very high	96	Very high	100 Å²	100	30.8 Å²	30.8	61%	0.613	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	134.4	172.6	-63.1	0	0	0	0	110.1	A31	A31-T221 WeakPolarHBondContact O-CG2 3.32Å
222	G	91.2	Very high	95.8	Very high	29 Å²	29	31.3 Å²	31.3	30%	0.299	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	90	-6.5	-178	0	0	0	0	0	115.5	A31 P220	A31-G222 VanDerWaalsContact O-CA 3.27Å; A31-G222 WeakPolarHBondContact O-CA 3.43Å; A31-G222 PolarHBondContact O-N 3.39Å; P220-G222 PolarHBondContact O-N 2.87Å
223	A	95.6	Very high	95.7	Very high	5 Å²	5	31.4 Å²	31.4	4%	0.041	18%	0.175	C	C	.	.			trans	-82.6	148.3	176	0	0	0	0	0	112.8	R33 R34 E117 Y118 I219 P220	R33-A223 WeakPolarHBondContact CA-O 3.46Å; R34-A223 PolarHBondContact N-O 3.3Å; E117-A223 HydrophobicContact CB-CB 4.25Å; E117-A223 HydrophobicContact CG-CB 4.45Å; Y118-A223 HydrophobicContact CD2-CB 3.98Å; Y118-A223 HydrophobicContact CE2-CB 3.69Å; I219-A223 HydrophobicContact CG2-CB 3.93Å; P220-A223 HydrophobicContact CG-CB 4.05Å; P220-A223 WeakPolarHBondContact O-CB 3.45Å; P220-A223 PolarHBondContact O-N 3.5Å
224	T	96.6	Very high	95.6	Very high	15 Å²	15	26.2 Å²	26.2	9%	0.092	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	127.1	168.5	-56.3	0	0	0	0	110.2	R34 I36 A115 I116 E117 Y118	R34-T224 HydrophobicContact CB-CG2 3.99Å; R34-T224 HydrophobicContact CG-CG2 3.88Å; R34-T224 CarbonylContact O-C 3.52Å; R34-T224 WeakPolarHBondContact O-CA 3.38Å; I36-T224 HydrophobicContact CD1-CG2 3.61Å; I36-T224 HydrophobicContact CG1-CG2 4.47Å; A115-T224 WeakPolarHBondContact O-CB 3.28Å; A115-T224 VanDerWaalsContact O-CG2 3.28Å; A115-T224 WeakPolarHBondContact O-CG2 3.21Å; A115-T224 PolarHBondContact O-OG1 2.73Å; I116-T224 HydrophobicContact CD1-CG2 3.86Å; E117-T224 PolarHBondContact N-O 3.28Å; E117-T224 VanDerWaalsContact OE2-CA 3.3Å; E117-T224 WeakPolarHBondContact OE2-CA 3.47Å; E117-T224 WeakPolarHBondContact OE2-CB 3.45Å; E117-T224 PolarHBondContact OE2-N 2.85Å; Y118-T224 PolarHBondContact N-O 2.93Å
225	V	97.8	Very high	95.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	127	179.9	-171	0	0	0	0	109.6	R34 I36 Y118 F120 I219 F227	R34-V225 PolarHBondContact O-N 2.9Å; I36-V225 PolarHBondContact N-O 2.9Å; Y118-V225 HydrophobicContact CD2-CG2 4.28Å; Y118-V225 WeakPolarHBondContact O-CA 3.36Å; F120-V225 HydrophobicContact CD2-CG1 3.55Å; F120-V225 HydrophobicContact CE2-CG1 3.74Å; I219-V225 HydrophobicContact CB-CG2 4.28Å; I219-V225 HydrophobicContact CD1-CG2 3.82Å; I219-V225 HydrophobicContact CG1-CG2 3.82Å; I219-V225 HydrophobicContact CG2-CG2 3.48Å; I219-V225 VanDerWaalsContact CG2-CG2 3.48Å; V225-F227 HydrophobicContact CB-CE2 4.01Å; V225-F227 HydrophobicContact CB-CZ 4.4Å; V225-F227 HydrophobicContact CG1-CD2 4.1Å; V225-F227 HydrophobicContact CG1-CE1 4.14Å; V225-F227 HydrophobicContact CG1-CE2 3.51Å; V225-F227 HydrophobicContact CG1-CZ 3.54Å
226	L	98.4	Very high	95.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	124.4	171.2	176.6	62.5	0	0	0	109.9	I36 M38 I116 Y118 V119 F120 F134 I228	I36-L226 HydrophobicContact CB-CD1 4.02Å; I36-L226 HydrophobicContact CG2-CD1 3.62Å; I36-L226 CarbonylContact O-C 3.49Å; I36-L226 WeakPolarHBondContact O-CA 3.35Å; M38-L226 HydrophobicContact CB-CD1 3.98Å; M38-L226 HydrophobicContact CE-CD1 4.29Å; I116-L226 HydrophobicContact CD1-CB 4.48Å; I116-L226 HydrophobicContact CG2-CB 4.24Å; Y118-L226 PolarHBondContact O-N 3.03Å; V119-L226 CarbonylContact C-O 3.57Å; V119-L226 WeakPolarHBondContact CA-O 3.36Å; V119-L226 HydrophobicContact CG1-CD2 4.39Å; V119-L226 HydrophobicContact CG2-CB 4.42Å; V119-L226 HydrophobicContact CG2-CD2 4.45Å; F120-L226 PolarHBondContact N-O 2.96Å; F134-L226 HydrophobicContact CD1-CD2 3.64Å; F134-L226 HydrophobicContact CD2-CD2 4.11Å; F134-L226 HydrophobicContact CE1-CD2 3.44Å; F134-L226 VanDerWaalsContact CE1-CD2 3.44Å; F134-L226 HydrophobicContact CE2-CD2 3.9Å; F134-L226 HydrophobicContact CG-CD2 4Å; F134-L226 HydrophobicContact CZ-CD2 3.58Å; L226-I228 HydrophobicContact CD1-CG1 4.42Å; L226-I228 HydrophobicContact CD2-CD1 4.03Å; L226-I228 HydrophobicContact CD2-CG1 4.11Å; L226-I228 HydrophobicContact CG-CD1 4.43Å; L226-I228 HydrophobicContact CG-CG1 3.96Å
227	F	98.6	Very high	95.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	118	170.5	-62.4	-84.9	0	0	0	109.4	V35 I36 I37 M38 F120 L155 M212 I215 M216 V225	V35-F227 HydrophobicContact CB-CE2 4.47Å; V35-F227 HydrophobicContact CG1-CD2 3.72Å; V35-F227 HydrophobicContact CG1-CE2 3.56Å; V35-F227 HydrophobicContact CG2-CE2 4.24Å; I36-F227 PolarHBondContact O-N 3.45Å; I37-F227 CarbonylContact C-O 3.55Å; I37-F227 WeakPolarHBondContact CA-O 3.17Å; I37-F227 HydrophobicContact CG1-CB 4.17Å; I37-F227 HydrophobicContact CG1-CD2 4.15Å; M38-F227 PolarHBondContact N-O 2.88Å; F120-F227 HydrophobicContact CB-CD1 3.71Å; F120-F227 HydrophobicContact CB-CE1 4.01Å; F120-F227 HydrophobicContact CD2-CD1 4.41Å; F120-F227 HydrophobicContact CD2-CE1 4.01Å; F120-F227 HydrophobicContact CG-CD1 4.27Å; F120-F227 HydrophobicContact CG-CE1 4.06Å; F120-F227 CarbonylContact O-C 3.39Å; F120-F227 WeakPolarHBondContact O-CA 3.5Å; L155-F227 HydrophobicContact CD1-CD1 3.87Å; L155-F227 HydrophobicContact CD2-CD1 4.14Å; M212-F227 HydrophobicContact CE-CD1 3.68Å; M212-F227 HydrophobicContact CE-CE1 3.5Å; M212-F227 HydrophobicContact CE-CE2 4.4Å; M212-F227 HydrophobicContact CE-CG 4.21Å; M212-F227 HydrophobicContact CE-CZ 3.89Å; M212-F227 HydrophobicContact SD-CE1 4.2Å; M212-F227 HydrophobicContact SD-CE2 4.23Å; M212-F227 HydrophobicContact SD-CZ 3.96Å; I215-F227 HydrophobicContact CD1-CE1 3.74Å; I215-F227 HydrophobicContact CG2-CE1 3.93Å; I215-F227 HydrophobicContact CG2-CZ 3.88Å; M216-F227 HydrophobicContact SD-CE2 4.41Å; M216-F227 HydrophobicContact SD-CZ 4.14Å; V225-F227 HydrophobicContact CB-CE2 4.01Å; V225-F227 HydrophobicContact CB-CZ 4.4Å; V225-F227 HydrophobicContact CG1-CD2 4.1Å; V225-F227 HydrophobicContact CG1-CE1 4.14Å; V225-F227 HydrophobicContact CG1-CE2 3.51Å; V225-F227 HydrophobicContact CG1-CZ 3.54Å
228	I	98.7	Very high	95	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	118.3	173	-53.1	-157.7	0	0	0	109.5	M38 F120 S121 S122 C127 T130 A131 F134 L226	M38-I228 WeakPolarHBondContact O-CA 3.43Å; F120-I228 PolarHBondContact O-N 2.89Å; S121-I228 CarbonylContact C-O 3.59Å; S121-I228 WeakPolarHBondContact CA-O 3.43Å; S122-I228 PolarHBondContact N-O 3.36Å; C127-I228 HydrophobicContact CB-CG2 4.29Å; T130-I228 HydrophobicContact CG2-CD1 4.02Å; T130-I228 HydrophobicContact CG2-CG2 3.83Å; A131-I228 VanDerWaalsContact CA-CD1 3.43Å; A131-I228 HydrophobicContact CB-CB 4.39Å; A131-I228 HydrophobicContact CB-CD1 3.74Å; A131-I228 HydrophobicContact CB-CG1 4.27Å; F134-I228 HydrophobicContact CB-CD1 4.3Å; L226-I228 HydrophobicContact CD1-CG1 4.42Å; L226-I228 HydrophobicContact CD2-CD1 4.03Å; L226-I228 HydrophobicContact CD2-CG1 4.11Å; L226-I228 HydrophobicContact CG-CD1 4.43Å; L226-I228 HydrophobicContact CG-CG1 3.96Å
229	T	98.3	Very high	95	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	-154.5	-166.5	-168.6	0	0	0	0	111.1	I37 M38 R39 H40 L155 N233 M236	I37-T229 HydrophobicContact CG2-CG2 3.61Å; M38-T229 PolarHBondContact O-N 3.15Å; R39-T229 CarbonylContact C-O 3.59Å; R39-T229 WeakPolarHBondContact CA-O 3.12Å; H40-T229 PolarHBondContact N-O 3.04Å; L155-T229 PolarHBondContact O-OG1 2.92Å; T229-N233 HydrophobicContact CG2-CB 3.79Å; T229-N233 PolarHBondContact OG1-ND2 2.89Å; T229-M236 HydrophobicContact CG2-CE 3.83Å
230	H	96.7	Very high	94.9	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.005	10%	0.097	C	C	.	.			trans	-112.1	158.7	-172.6	-48	-84.5	0	0	0	111.2	H40 S122 R126 C127 F156 E157 P232 N233 F234	H40-H230 AromaticContact CD2-ND1 3.55Å; H40-H230 AromaticContact NE2-ND1 3.91Å; S122-H230 WeakPolarHBondContact CB-NE2 3.43Å; S122-H230 PolarHBondContact OG-NE2 2.81Å; R126-H230 PolarHBondContact NH2-CE1 3.29Å; R126-H230 PolarHBondContact NH2-ND1 3.46Å; C127-H230 PolarHBondContact SG-CE1 3.17Å; F156-H230 AromaticContact CD2-NE2 3.78Å; E157-H230 HydrophobicContact CB-CB 3.78Å; E157-H230 PolarHBondContact N-CD2 3.31Å; E157-H230 IonicContact OE2-CG 2.71Å; E157-H230 IonicContact OE2-ND1 3.65Å; H230-P232 VanDerWaalsContact C-CD 3.46Å; H230-P232 VanDerWaalsContact C-N 3.32Å; H230-P232 HydrophobicContact CB-CG 4.47Å; H230-N233 PolarHBondContact O-N 2.84Å; H230-F234 WeakPolarHBondContact O-CD2 3.28Å
231	A	94.7	Very high	94.9	Very high	3 Å²	3	17.1 Å²	17.1	3%	0.025	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-52.6	-40.5	175.9	0	0	0	0	0	114.1	N233 F234 V255 V258	A231-N233 PolarHBondContact O-N 3.46Å; A231-F234 WeakPolarHBondContact O-CB 3.15Å; A231-F234 WeakPolarHBondContact O-CD2 3.48Å; A231-F234 PolarHBondContact O-N 3.39Å; A231-F234 VanDerWaalsContact O-N 3.16Å; A231-V255 HydrophobicContact CB-CG1 4.18Å; A231-V258 HydrophobicContact CB-CB 3.82Å; A231-V258 HydrophobicContact CB-CG1 4.21Å; A231-V258 HydrophobicContact CB-CG2 4.23Å
232	P	93.5	Very high	94.8	Very high	12 Å²	12	15.5 Å²	15.5	8%	0.078	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-45.2	-33.9	169.3	-39.6	44.9	0	0	0	116	E157 F204 H230 F234 W251 V255	E157-P232 HydrophobicContact CB-CB 4.35Å; E157-P232 HydrophobicContact CB-CG 4.2Å; F204-P232 HydrophobicContact CZ-CB 4.01Å; H230-P232 VanDerWaalsContact C-CD 3.46Å; H230-P232 VanDerWaalsContact C-N 3.32Å; H230-P232 HydrophobicContact CB-CG 4.47Å; P232-F234 VanDerWaalsContact C-N 3.33Å; P232-F234 PolarHBondContact O-N 3.28Å; P232-W251 HydrophobicContact CB-CH2 4.22Å; P232-W251 HydrophobicContact CB-CZ2 3.59Å; P232-W251 HydrophobicContact CG-CH2 4.44Å; P232-W251 HydrophobicContact CG-CZ2 4.22Å; P232-W251 PolarHBondContact O-NE1 3.01Å; P232-V255 HydrophobicContact CB-CG2 4.45Å; P232-V255 HydrophobicContact CG-CG1 3.97Å; P232-V255 HydrophobicContact CG-CG2 4.13Å
233	N	95.2	Very high	94.7	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-88.1	0.1	-171.5	-68.3	6.1	0	0	0	113.1	L155 F204 T229 H230 A231 D235 M236	L155-N233 PolarHBondContact O-ND2 3.36Å; F204-N233 VanDerWaalsContact CE2-OD1 3.29Å; F204-N233 WeakPolarHBondContact CE2-OD1 3.12Å; F204-N233 WeakPolarHBondContact CZ-OD1 3.4Å; T229-N233 HydrophobicContact CG2-CB 3.79Å; T229-N233 PolarHBondContact OG1-ND2 2.89Å; H230-N233 PolarHBondContact O-N 2.84Å; A231-N233 PolarHBondContact O-N 3.46Å; N233-D235 PolarHBondContact O-N 3.22Å; N233-M236 HydrophobicContact CB-CE 3.68Å; N233-M236 HydrophobicContact CB-SD 3.92Å; N233-M236 VanDerWaalsContact O-CB 3.29Å; N233-M236 WeakPolarHBondContact O-CB 3.5Å; N233-M236 WeakPolarHBondContact O-CG 3.5Å; N233-M236 PolarHBondContact O-N 2.75Å
234	F	94.2	Very high	94.2	Very high	5 Å²	5	20 Å²	20	2%	0.022	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-66.7	-19.6	-177.8	-84.9	-123.1	0	0	0	113.3	I37 R39 H230 A231 P232 L254 V258 H262 I264	I37-F234 HydrophobicContact CG2-CD2 4.35Å; I37-F234 HydrophobicContact CG2-CE2 4.31Å; R39-F234 HydrophobicContact CB-CE2 3.92Å; R39-F234 HydrophobicContact CB-CZ 3.89Å; H230-F234 WeakPolarHBondContact O-CD2 3.28Å; A231-F234 WeakPolarHBondContact O-CB 3.15Å; A231-F234 WeakPolarHBondContact O-CD2 3.48Å; A231-F234 PolarHBondContact O-N 3.39Å; A231-F234 VanDerWaalsContact O-N 3.16Å; P232-F234 VanDerWaalsContact C-N 3.33Å; P232-F234 PolarHBondContact O-N 3.28Å; F234-L254 HydrophobicContact CB-CD2 3.95Å; F234-V258 HydrophobicContact CD1-CG1 4.01Å; F234-V258 HydrophobicContact CD1-CG2 4.18Å; F234-V258 HydrophobicContact CD2-CG1 4.33Å; F234-V258 HydrophobicContact CE1-CG1 3.55Å; F234-V258 HydrophobicContact CE2-CG1 3.91Å; F234-V258 HydrophobicContact CG-CG1 4.39Å; F234-V258 HydrophobicContact CG-CG2 4.34Å; F234-V258 HydrophobicContact CZ-CG1 3.48Å; F234-V258 VanDerWaalsContact CZ-CG1 3.48Å; F234-H262 AromaticContact CE1-CD2 3.78Å; F234-H262 VanDerWaalsContact CZ-O 3.31Å; F234-H262 WeakPolarHBondContact CZ-O 3.43Å; F234-I264 HydrophobicContact CB-CD1 4.06Å; F234-I264 HydrophobicContact CD1-CD1 3.88Å; F234-I264 HydrophobicContact CD1-CG1 4.07Å; F234-I264 HydrophobicContact CD1-CG2 3.9Å; F234-I264 HydrophobicContact CE1-CG1 4.34Å; F234-I264 HydrophobicContact CE1-CG2 4.13Å; F234-I264 HydrophobicContact CG-CD1 4.17Å; F234-I264 WeakPolarHBondContact O-CD1 3.21Å
235	D	92.2	Very high	93.7	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-90.2	-6.2	174.1	-164.9	49.2	0	0	0	113.4	N233 F237 N238 R239 G245 M246	N233-D235 PolarHBondContact O-N 3.22Å; D235-F237 VanDerWaalsContact C-N 3.3Å; D235-F237 PolarHBondContact O-N 3.41Å; D235-N238 WeakPolarHBondContact O-CB 3.28Å; D235-N238 PolarHBondContact O-N 3.49Å; D235-N238 WeakPolarHBondContact OD1-CB 3.37Å; D235-N238 PolarHBondContact OD1-ND2 2.94Å; D235-R239 PolarHBondContact O-N 3.19Å; D235-R239 IonicContact OD2-CZ 3.64Å; D235-R239 IonicContact OD2-NE 3.37Å; D235-R239 PolarHBondContact OD2-NE 3.1Å; D235-R239 IonicContact OD2-NH2 3.64Å; D235-G245 WeakPolarHBondContact OD1-CA 3.29Å; D235-G245 VanDerWaalsContact OD2-CA 3.25Å; D235-G245 WeakPolarHBondContact OD2-CA 3.33Å; D235-M246 HydrophobicContact CB-CE 4.21Å; D235-M246 VanDerWaalsContact CG-N 3.27Å; D235-M246 WeakPolarHBondContact OD1-CE 3.37Å; D235-M246 PolarHBondContact OD1-N 2.71Å; D235-M246 VanDerWaalsContact OD1-N 3.12Å; D235-M246 PolarHBondContact OD2-N 3.17Å
236	M	92.8	Very high	93.3	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.01	14%	0.141	C	C	.	.	H	α-helix	trans	-62.4	-38.4	-172.9	78	-175.5	140.6	0	0	112.8	I37 L155 C208 M212 T229 N233 R239 Y240	I37-M236 HydrophobicContact CD1-CE 3.7Å; I37-M236 HydrophobicContact CD1-CG 4.04Å; I37-M236 HydrophobicContact CG1-CE 4Å; I37-M236 HydrophobicContact CG2-CE 3.71Å; L155-M236 HydrophobicContact CD2-CE 4.29Å; L155-M236 HydrophobicContact CD2-SD 4.16Å; C208-M236 HydrophobicContact CB-CB 3.78Å; C208-M236 HydrophobicContact CB-SD 4.49Å; M212-M236 HydrophobicContact CE-CE 4Å; M212-M236 HydrophobicContact CE-CG 4.45Å; M212-M236 HydrophobicContact CE-SD 3.53Å; M212-M236 VanDerWaalsContact CE-SD 3.53Å; M212-M236 HydrophobicContact CG-CG 4.26Å; M212-M236 HydrophobicContact CG-SD 4.29Å; M212-M236 HydrophobicContact SD-CG 4.37Å; M212-M236 HydrophobicContact SD-SD 4.18Å; T229-M236 HydrophobicContact CG2-CE 3.83Å; N233-M236 HydrophobicContact CB-CE 3.68Å; N233-M236 HydrophobicContact CB-SD 3.92Å; N233-M236 VanDerWaalsContact O-CB 3.29Å; N233-M236 WeakPolarHBondContact O-CB 3.5Å; N233-M236 WeakPolarHBondContact O-CG 3.5Å; N233-M236 PolarHBondContact O-N 2.75Å; M236-R239 PolarHBondContact O-N 3.43Å; M236-Y240 PolarHBondContact O-N 3.34Å
237	F	92.9	Very high	92.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-75.5	-29.5	-177.5	-151.6	-98.5	0	0	0	112.5	V35 I37 M212 D235 R239 Y240 R241 Y266 W274	V35-F237 HydrophobicContact CB-CD2 4.42Å; V35-F237 HydrophobicContact CB-CE1 4.4Å; V35-F237 HydrophobicContact CB-CE2 3.83Å; V35-F237 HydrophobicContact CB-CZ 3.8Å; V35-F237 HydrophobicContact CG1-CD2 3.75Å; V35-F237 HydrophobicContact CG1-CE2 3.59Å; V35-F237 HydrophobicContact CG1-CG 4.35Å; V35-F237 HydrophobicContact CG1-CZ 4.05Å; V35-F237 HydrophobicContact CG2-CE2 3.67Å; V35-F237 HydrophobicContact CG2-CZ 3.69Å; I37-F237 HydrophobicContact CD1-CB 3.64Å; I37-F237 HydrophobicContact CD1-CD2 4.41Å; I37-F237 HydrophobicContact CD1-CG 4.31Å; M212-F237 HydrophobicContact SD-CD2 4.06Å; M212-F237 HydrophobicContact SD-CE2 4.49Å; D235-F237 VanDerWaalsContact C-N 3.3Å; D235-F237 PolarHBondContact O-N 3.41Å; F237-R239 VanDerWaalsContact C-N 3.27Å; F237-R239 PolarHBondContact O-N 3.43Å; F237-Y240 AromaticContact CD2-CD1 3.87Å; F237-Y240 HydrophobicContact CD2-CD1 3.87Å; F237-Y240 HydrophobicContact CE1-CD1 4.24Å; F237-Y240 AromaticContact CE2-CD1 3.49Å; F237-Y240 HydrophobicContact CE2-CD1 3.49Å; F237-Y240 VanDerWaalsContact CE2-CD1 3.49Å; F237-Y240 AromaticContact CE2-CE1 3.78Å; F237-Y240 HydrophobicContact CE2-CE1 3.78Å; F237-Y240 HydrophobicContact CE2-CG 4.45Å; F237-Y240 HydrophobicContact CG-CD1 4.38Å; F237-Y240 AromaticContact CZ-CD1 3.71Å; F237-Y240 HydrophobicContact CZ-CD1 3.71Å; F237-Y240 AromaticContact CZ-CE1 3.79Å; F237-Y240 HydrophobicContact CZ-CE1 3.79Å; F237-Y240 PolarHBondContact O-N 3.19Å; F237-R241 WeakPolarHBondContact O-CB 3.24Å; F237-R241 VanDerWaalsContact O-CG 3.26Å; F237-R241 WeakPolarHBondContact O-CG 3.39Å; F237-R241 PolarHBondContact O-N 3.25Å; F237-Y266 HydrophobicContact CB-CD2 4.01Å; F237-Y266 HydrophobicContact CB-CE2 3.58Å; F237-Y266 AromaticContact CD1-CD1 3.64Å; F237-Y266 HydrophobicContact CD1-CD1 3.64Å; F237-Y266 AromaticContact CD1-CD2 3.35Å; F237-Y266 HydrophobicContact CD1-CD2 3.35Å; F237-Y266 AromaticContact CD1-CE1 3.99Å; F237-Y266 HydrophobicContact CD1-CE1 3.99Å; F237-Y266 AromaticContact CD1-CE2 3.74Å; F237-Y266 HydrophobicContact CD1-CE2 3.74Å; F237-Y266 AromaticContact CD1-CG 3.29Å; F237-Y266 HydrophobicContact CD1-CG 3.29Å; F237-Y266 HydrophobicContact CE1-CD1 4.14Å; F237-Y266 AromaticContact CE1-CD2 3.99Å; F237-Y266 HydrophobicContact CE1-CD2 3.99Å; F237-Y266 AromaticContact CE1-CG 3.63Å; F237-Y266 HydrophobicContact CE1-CG 3.63Å; F237-Y266 AromaticContact CG-CD2 3.8Å; F237-Y266 HydrophobicContact CG-CD2 3.8Å; F237-Y266 AromaticContact CG-CE2 3.92Å; F237-Y266 HydrophobicContact CG-CE2 3.92Å; F237-Y266 HydrophobicContact CG-CG 4.21Å; F237-W274 HydrophobicContact CE1-CB 4.01Å; F237-W274 AromaticContact CE1-CD2 3.57Å; F237-W274 HydrophobicContact CE1-CD2 3.57Å; F237-W274 AromaticContact CE1-CE3 3.6Å; F237-W274 HydrophobicContact CE1-CE3 3.6Å; F237-W274 AromaticContact CE1-CG 3.76Å; F237-W274 HydrophobicContact CE1-CG 3.76Å; F237-W274 HydrophobicContact CE1-CZ3 4.25Å; F237-W274 AromaticContact CZ-CD2 3.59Å; F237-W274 HydrophobicContact CZ-CD2 3.59Å; F237-W274 AromaticContact CZ-CE2 3.79Å; F237-W274 AromaticContact CZ-CE3 3.61Å; F237-W274 HydrophobicContact CZ-CE3 3.61Å; F237-W274 HydrophobicContact CZ-CG 4.16Å; F237-W274 HydrophobicContact CZ-CH2 4.03Å; F237-W274 HydrophobicContact CZ-CZ2 4.02Å; F237-W274 AromaticContact CZ-CZ3 3.83Å; F237-W274 HydrophobicContact CZ-CZ3 3.83Å
238	N	92.6	Very high	92.3	Very high	16 Å²	16	28.3 Å²	28.3	9%	0.086	18%	0.182	C	C	.	.	H	α-helix	trans	-61.6	-39.1	170	-76.4	-37.1	0	0	0	111.5	D235 R241 T243 Y266	D235-N238 WeakPolarHBondContact O-CB 3.28Å; D235-N238 PolarHBondContact O-N 3.49Å; D235-N238 WeakPolarHBondContact OD1-CB 3.37Å; D235-N238 PolarHBondContact OD1-ND2 2.94Å; N238-R241 WeakPolarHBondContact O-CG 3.3Å; N238-R241 PolarHBondContact OD1-NE 3.2Å; N238-R241 PolarHBondContact OD1-NH2 3.03Å; N238-T243 WeakPolarHBondContact CA-OG1 3.42Å; N238-T243 WeakPolarHBondContact CB-OG1 3.43Å; N238-T243 PolarHBondContact O-N 3.37Å; N238-T243 PolarHBondContact O-OG1 2.9Å; N238-Y266 PolarHBondContact OD1-OH 3.41Å
239	R	93.4	Very high	91.8	Very high	59 Å²	59	34.7 Å²	34.7	22%	0.223	21%	0.21	C	C	.	.	H	α-helix	trans	-70.7	-45.9	175.8	-65.8	174.3	175.6	-92.8	-1.7	111.4	N205 V209 D235 M236 F237 R241 G242 M246	N205-R239 VanDerWaalsContact CG-CZ 3.49Å; N205-R239 WeakPolarHBondContact OD1-CD 3.14Å; N205-R239 PolarHBondContact OD1-NE 2.91Å; V209-R239 HydrophobicContact CG2-CB 3.6Å; D235-R239 PolarHBondContact O-N 3.19Å; D235-R239 IonicContact OD2-CZ 3.64Å; D235-R239 IonicContact OD2-NE 3.37Å; D235-R239 PolarHBondContact OD2-NE 3.1Å; D235-R239 IonicContact OD2-NH2 3.64Å; M236-R239 PolarHBondContact O-N 3.43Å; F237-R239 VanDerWaalsContact C-N 3.27Å; F237-R239 PolarHBondContact O-N 3.43Å; R239-R241 VanDerWaalsContact C-N 3.34Å; R239-R241 PolarHBondContact O-N 3.26Å; R239-G242 PolarHBondContact O-N 3.25Å; R239-M246 PolarHBondContact NH2-O 3.04Å
240	Y	94.4	Very high	91.5	Very high	33 Å²	33	42.1 Å²	42.1	13%	0.129	24%	0.238	C	C	.	.	H	α-helix	trans	-55	-46.1	176.1	168.1	-104.9	0	0	0	112.5	M212 R213 M216 M236 F237 G242 W274	M212-Y240 HydrophobicContact CB-CD2 3.6Å; M212-Y240 HydrophobicContact CB-CE2 4.22Å; M212-Y240 HydrophobicContact CB-CG 3.83Å; R213-Y240 HydrophobicContact CB-CE2 4.47Å; R213-Y240 HydrophobicContact CG-CD2 3.99Å; R213-Y240 HydrophobicContact CG-CE2 3.78Å; M216-Y240 WeakPolarHBondContact CB-OH 3.42Å; M216-Y240 HydrophobicContact CG-CE1 4.32Å; M236-Y240 PolarHBondContact O-N 3.34Å; F237-Y240 AromaticContact CD2-CD1 3.87Å; F237-Y240 HydrophobicContact CD2-CD1 3.87Å; F237-Y240 HydrophobicContact CE1-CD1 4.24Å; F237-Y240 AromaticContact CE2-CD1 3.49Å; F237-Y240 HydrophobicContact CE2-CD1 3.49Å; F237-Y240 VanDerWaalsContact CE2-CD1 3.49Å; F237-Y240 AromaticContact CE2-CE1 3.78Å; F237-Y240 HydrophobicContact CE2-CE1 3.78Å; F237-Y240 HydrophobicContact CE2-CG 4.45Å; F237-Y240 HydrophobicContact CG-CD1 4.38Å; F237-Y240 AromaticContact CZ-CD1 3.71Å; F237-Y240 HydrophobicContact CZ-CD1 3.71Å; F237-Y240 AromaticContact CZ-CE1 3.79Å; F237-Y240 HydrophobicContact CZ-CE1 3.79Å; F237-Y240 PolarHBondContact O-N 3.19Å; Y240-G242 PolarHBondContact O-N 2.9Å; Y240-W274 HydrophobicContact CE1-CZ2 4.46Å; Y240-W274 AromaticContact CE1-NE1 3.79Å
241	R	92.8	Very high	91.3	Very high	78 Å²	78	42.7 Å²	42.7	29%	0.294	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	4.5	179.5	77.3	-169.9	179.1	113.7	2.6	114.6	F237 N238 R239 T243 W274	F237-R241 WeakPolarHBondContact O-CB 3.24Å; F237-R241 VanDerWaalsContact O-CG 3.26Å; F237-R241 WeakPolarHBondContact O-CG 3.39Å; F237-R241 PolarHBondContact O-N 3.25Å; N238-R241 WeakPolarHBondContact O-CG 3.3Å; N238-R241 PolarHBondContact OD1-NE 3.2Å; N238-R241 PolarHBondContact OD1-NH2 3.03Å; R239-R241 VanDerWaalsContact C-N 3.34Å; R239-R241 PolarHBondContact O-N 3.26Å; R241-T243 HydrophobicContact CG-CG2 3.93Å; R241-W274 HydrophobicContact CB-CB 4.07Å; R241-W274 HydrophobicContact CB-CG 4.33Å; R241-W274 PolarHBondContact NH1-O 3.14Å
242	G	91	Very high	91	Very high	65 Å²	65	47.3 Å²	47.3	67%	0.67	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	17.2	173.6	0	0	0	0	0	115.9	R239 Y240 G244	R239-G242 PolarHBondContact O-N 3.25Å; Y240-G242 PolarHBondContact O-N 2.9Å; G242-G244 VanDerWaalsContact C-N 3.27Å; G242-G244 PolarHBondContact O-N 3.49Å
243	T	88.6	Confident	90.9	Very high	73 Å²	73	53 Å²	53	45%	0.448	28%	0.284	S	S	.	.	S	Bend	trans	-85.8	8.9	177.6	61.3	0	0	0	0	114.3	N238 R241 G245	N238-T243 WeakPolarHBondContact CA-OG1 3.42Å; N238-T243 WeakPolarHBondContact CB-OG1 3.43Å; N238-T243 PolarHBondContact O-N 3.37Å; N238-T243 PolarHBondContact O-OG1 2.9Å; R241-T243 HydrophobicContact CG-CG2 3.93Å; T243-G245 PolarHBondContact O-N 2.89Å; T243-G245 VanDerWaalsContact O-N 3.1Å
244	G	84.2	Confident	90.7	Very high	56 Å²	56	55.2 Å²	55.2	58%	0.577	30%	0.296	S	S	*	.			trans	76.4	-15.1	179.9	0	0	0	0	0	115.2	G242	G242-G244 VanDerWaalsContact C-N 3.27Å; G242-G244 PolarHBondContact O-N 3.49Å
245	G	86.9	Confident	90.5	Very high	21 Å²	21	56.3 Å²	56.3	22%	0.216	30%	0.303	C	S	.	.			trans	71.9	-174.3	-176.3	0	0	0	0	0	113	D235 T243	D235-G245 WeakPolarHBondContact OD1-CA 3.29Å; D235-G245 VanDerWaalsContact OD2-CA 3.25Å; D235-G245 WeakPolarHBondContact OD2-CA 3.33Å; T243-G245 PolarHBondContact O-N 2.89Å; T243-G245 VanDerWaalsContact O-N 3.1Å
246	M	89.1	Confident	90.2	Very high	34 Å²	34	63 Å²	63	17%	0.167	34%	0.339	C	S	.	.			trans	-85.2	143.8	178	-69	-178.2	-119.5	0	0	111.4	D235 R239 R250 W251 L254	D235-M246 HydrophobicContact CB-CE 4.21Å; D235-M246 VanDerWaalsContact CG-N 3.27Å; D235-M246 WeakPolarHBondContact OD1-CE 3.37Å; D235-M246 PolarHBondContact OD1-N 2.71Å; D235-M246 VanDerWaalsContact OD1-N 3.12Å; D235-M246 PolarHBondContact OD2-N 3.17Å; R239-M246 PolarHBondContact NH2-O 3.04Å; M246-R250 HydrophobicContact CB-CB 4.46Å; M246-R250 HydrophobicContact SD-CG 4.07Å; M246-W251 HydrophobicContact CB-CB 4.45Å; M246-L254 HydrophobicContact CE-CD2 3.57Å; M246-L254 HydrophobicContact SD-CD2 4.13Å
247	P	88.4	Confident	90.2	Very high	74 Å²	74	72.6 Å²	72.6	48%	0.481	38%	0.375	S	S	.	.			trans	-57.5	147.4	165.6	-23	33.3	0	0	0	111.4	F249 R250 W251	P247-F249 VanDerWaalsContact C-N 3.3Å; P247-F249 HydrophobicContact CB-CD1 3.71Å; P247-F249 HydrophobicContact CB-CE1 3.46Å; P247-F249 VanDerWaalsContact CB-CE1 3.46Å; P247-F249 HydrophobicContact CB-CZ 4.36Å; P247-F249 HydrophobicContact CG-CE1 4.02Å; P247-F249 PolarHBondContact O-N 3.01Å; P247-F249 VanDerWaalsContact O-N 3.15Å; P247-R250 PolarHBondContact O-N 2.99Å; P247-W251 PolarHBondContact O-N 2.8Å
248	T	88.1	Confident	90.2	Very high	61 Å²	61	72.9 Å²	72.9	37%	0.374	38%	0.377	S	S	.	.	H	α-helix	trans	-53.1	-41.2	-172.8	-50.4	0	0	0	0	113.6	F201 R250 W251 Q252	F201-T248 HydrophobicContact CD1-CG2 4.34Å; F201-T248 HydrophobicContact CE1-CG2 4.22Å; F201-T248 VanDerWaalsContact CE1-OG1 3.29Å; F201-T248 WeakPolarHBondContact CE1-OG1 3.5Å; F201-T248 HydrophobicContact CZ-CG2 4.41Å; T248-R250 VanDerWaalsContact C-N 3.3Å; T248-R250 PolarHBondContact O-N 2.84Å; T248-W251 WeakPolarHBondContact O-CB 3.35Å; T248-W251 PolarHBondContact O-N 2.81Å; T248-Q252 WeakPolarHBondContact O-CG 3.35Å; T248-Q252 PolarHBondContact O-N 3.48Å
249	F	89	Confident	90.2	Very high	134 Å²	134	75.4 Å²	75.4	59%	0.588	39%	0.394	S	S	*	.	H	α-helix	trans	-63	-34.5	179.1	76.6	-92.8	0	0	0	113.1	P247 K253	P247-F249 VanDerWaalsContact C-N 3.3Å; P247-F249 HydrophobicContact CB-CD1 3.71Å; P247-F249 HydrophobicContact CB-CE1 3.46Å; P247-F249 VanDerWaalsContact CB-CE1 3.46Å; P247-F249 HydrophobicContact CB-CZ 4.36Å; P247-F249 HydrophobicContact CG-CE1 4.02Å; P247-F249 PolarHBondContact O-N 3.01Å; P247-F249 VanDerWaalsContact O-N 3.15Å; F249-K253 WeakPolarHBondContact O-CG 3.49Å; F249-K253 PolarHBondContact O-N 3.43Å
250	R	90.7	Very high	90.3	Very high	155 Å²	155	75 Å²	75	59%	0.585	39%	0.393	S	S	*	.	H	α-helix	trans	-79.1	-37.8	178.2	-174.9	176.3	179.9	166.5	0.6	110.2	M246 P247 T248 K253 L254	M246-R250 HydrophobicContact CB-CB 4.46Å; M246-R250 HydrophobicContact SD-CG 4.07Å; P247-R250 PolarHBondContact O-N 2.99Å; T248-R250 VanDerWaalsContact C-N 3.3Å; T248-R250 PolarHBondContact O-N 2.84Å; R250-K253 PolarHBondContact O-N 3.41Å; R250-L254 PolarHBondContact O-N 3.07Å
251	W	92	Very high	90.4	Very high	13 Å²	13	73.9 Å²	73.9	5%	0.049	39%	0.389	C	S	.	.	H	α-helix	trans	-58.7	-46.9	173.3	178.7	91.3	0	0	0	111.6	W158 F201 F204 P232 M246 P247 T248 K253 L254 V255	W158-W251 AromaticContact CE3-CH2 3.75Å; W158-W251 HydrophobicContact CE3-CH2 3.75Å; W158-W251 HydrophobicContact CE3-CZ3 4.05Å; W158-W251 HydrophobicContact CZ3-CH2 4.4Å; W158-W251 HydrophobicContact CZ3-CZ3 4.24Å; F201-W251 AromaticContact CE2-CD2 3.64Å; F201-W251 HydrophobicContact CE2-CD2 3.64Å; F201-W251 AromaticContact CE2-CE2 3.71Å; F201-W251 AromaticContact CE2-CE3 3.76Å; F201-W251 HydrophobicContact CE2-CE3 3.76Å; F201-W251 HydrophobicContact CE2-CG 4.18Å; F201-W251 HydrophobicContact CE2-CH2 4.08Å; F201-W251 AromaticContact CE2-CZ2 3.9Å; F201-W251 HydrophobicContact CE2-CZ2 3.9Å; F201-W251 HydrophobicContact CE2-CZ3 4.01Å; F201-W251 HydrophobicContact CZ-CB 4.39Å; F201-W251 AromaticContact CZ-CD2 3.92Å; F201-W251 HydrophobicContact CZ-CD2 3.92Å; F201-W251 HydrophobicContact CZ-CE3 4.26Å; F201-W251 AromaticContact CZ-CG 3.97Å; F201-W251 HydrophobicContact CZ-CG 3.97Å; F204-W251 AromaticContact CE1-CZ2 3.91Å; F204-W251 HydrophobicContact CE1-CZ2 3.91Å; F204-W251 HydrophobicContact CZ-CZ2 4.45Å; P232-W251 HydrophobicContact CB-CH2 4.22Å; P232-W251 HydrophobicContact CB-CZ2 3.59Å; P232-W251 HydrophobicContact CG-CH2 4.44Å; P232-W251 HydrophobicContact CG-CZ2 4.22Å; P232-W251 PolarHBondContact O-NE1 3.01Å; M246-W251 HydrophobicContact CB-CB 4.45Å; P247-W251 PolarHBondContact O-N 2.8Å; T248-W251 WeakPolarHBondContact O-CB 3.35Å; T248-W251 PolarHBondContact O-N 2.81Å; W251-K253 VanDerWaalsContact C-N 3.31Å; W251-K253 PolarHBondContact O-N 2.94Å; W251-L254 WeakPolarHBondContact O-CB 3.23Å; W251-L254 PolarHBondContact O-N 3.38Å; W251-V255 HydrophobicContact CD2-CG2 3.96Å; W251-V255 HydrophobicContact CE3-CG2 4.19Å; W251-V255 HydrophobicContact CH2-CG2 4.04Å; W251-V255 HydrophobicContact CZ2-CG2 3.85Å; W251-V255 HydrophobicContact CZ3-CG2 4.21Å; W251-V255 WeakPolarHBondContact O-CG2 3.43Å; W251-V255 PolarHBondContact O-N 3Å
252	Q	89.9	Confident	90.6	Very high	101 Å²	101	73 Å²	73	47%	0.472	39%	0.388	S	S	.	.	H	α-helix	trans	-58.5	-42	176.4	-73.3	173.8	-32.9	0	0	112.4	T248 L254 V255 N256	T248-Q252 WeakPolarHBondContact O-CG 3.35Å; T248-Q252 PolarHBondContact O-N 3.48Å; Q252-L254 VanDerWaalsContact C-N 3.34Å; Q252-L254 PolarHBondContact O-N 3.49Å; Q252-V255 PolarHBondContact O-N 3.19Å; Q252-N256 PolarHBondContact O-N 3.44Å; Q252-N256 PolarHBondContact O-ND2 3.47Å
253	K	91.6	Very high	90.8	Very high	130 Å²	130	70.2 Å²	70.2	57%	0.565	36%	0.359	S	S	*	.	H	α-helix	trans	-65.8	-35.5	175.4	-70.8	-178.6	-178.4	-176.8	0	112.8	F249 R250 W251 R257	F249-K253 WeakPolarHBondContact O-CG 3.49Å; F249-K253 PolarHBondContact O-N 3.43Å; R250-K253 PolarHBondContact O-N 3.41Å; W251-K253 VanDerWaalsContact C-N 3.31Å; W251-K253 PolarHBondContact O-N 2.94Å; K253-R257 WeakPolarHBondContact O-CD 3.36Å; K253-R257 VanDerWaalsContact O-CG 3.3Å; K253-R257 WeakPolarHBondContact O-CG 3.41Å
254	L	89.8	Confident	91.1	Very high	48 Å²	48	67.9 Å²	67.9	25%	0.251	34%	0.343	S	S	.	.	H	α-helix	trans	-64.5	-50.1	176	177.8	76.3	0	0	0	110.6	F234 M246 R250 W251 Q252 N256 R257 V258	F234-L254 HydrophobicContact CB-CD2 3.95Å; M246-L254 HydrophobicContact CE-CD2 3.57Å; M246-L254 HydrophobicContact SD-CD2 4.13Å; R250-L254 PolarHBondContact O-N 3.07Å; W251-L254 WeakPolarHBondContact O-CB 3.23Å; W251-L254 PolarHBondContact O-N 3.38Å; Q252-L254 VanDerWaalsContact C-N 3.34Å; Q252-L254 PolarHBondContact O-N 3.49Å; L254-N256 VanDerWaalsContact C-N 3.26Å; L254-N256 PolarHBondContact O-N 2.94Å; L254-R257 PolarHBondContact O-N 2.94Å; L254-V258 HydrophobicContact CD1-CG2 4.01Å; L254-V258 HydrophobicContact CG-CG2 3.91Å; L254-V258 WeakPolarHBondContact O-CG2 3.4Å; L254-V258 PolarHBondContact O-N 3.32Å; L254-V258 VanDerWaalsContact O-N 3.13Å
255	V	89.6	Confident	91.7	Very high	29 Å²	29	65.2 Å²	65.2	18%	0.176	32%	0.316	C	S	.	.	H	α-helix	trans	-54.2	-44.4	-176.5	171.8	0	0	0	0	111.5	A231 P232 W251 Q252 R257	A231-V255 HydrophobicContact CB-CG1 4.18Å; P232-V255 HydrophobicContact CB-CG2 4.45Å; P232-V255 HydrophobicContact CG-CG1 3.97Å; P232-V255 HydrophobicContact CG-CG2 4.13Å; W251-V255 HydrophobicContact CD2-CG2 3.96Å; W251-V255 HydrophobicContact CE3-CG2 4.19Å; W251-V255 HydrophobicContact CH2-CG2 4.04Å; W251-V255 HydrophobicContact CZ2-CG2 3.85Å; W251-V255 HydrophobicContact CZ3-CG2 4.21Å; W251-V255 WeakPolarHBondContact O-CG2 3.43Å; W251-V255 PolarHBondContact O-N 3Å; Q252-V255 PolarHBondContact O-N 3.19Å; V255-R257 PolarHBondContact O-N 3.22Å
256	N	87.4	Confident	92.1	Very high	140 Å²	140	64.2 Å²	64.2	75%	0.749	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-6.8	-179.5	-66.1	-18.8	0	0	0	114.4	Q252 L254	Q252-N256 PolarHBondContact O-N 3.44Å; Q252-N256 PolarHBondContact O-ND2 3.47Å; L254-N256 VanDerWaalsContact C-N 3.26Å; L254-N256 PolarHBondContact O-N 2.94Å
257	R	91.5	Very high	92.4	Very high	205 Å²	205	64 Å²	64	77%	0.774	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.9	-15.2	-173.4	-72.4	-177.3	177	-162.7	-2.3	114.6	K253 L254 V255 P259	K253-R257 WeakPolarHBondContact O-CD 3.36Å; K253-R257 VanDerWaalsContact O-CG 3.3Å; K253-R257 WeakPolarHBondContact O-CG 3.41Å; L254-R257 PolarHBondContact O-N 2.94Å; V255-R257 PolarHBondContact O-N 3.22Å; R257-P259 WeakPolarHBondContact O-CD 3.13Å
258	V	92.6	Very high	92.7	Very high	6 Å²	6	60.8 Å²	60.8	4%	0.036	28%	0.283	C	S	.	.			trans	-71.9	112.3	-179.9	176	0	0	0	0	108.3	R39 A231 F234 L254 H262	R39-V258 HydrophobicContact CB-CG1 4.18Å; R39-V258 WeakPolarHBondContact CD-O 3.32Å; R39-V258 PolarHBondContact NH1-O 2.98Å; A231-V258 HydrophobicContact CB-CB 3.82Å; A231-V258 HydrophobicContact CB-CG1 4.21Å; A231-V258 HydrophobicContact CB-CG2 4.23Å; F234-V258 HydrophobicContact CD1-CG1 4.01Å; F234-V258 HydrophobicContact CD1-CG2 4.18Å; F234-V258 HydrophobicContact CD2-CG1 4.33Å; F234-V258 HydrophobicContact CE1-CG1 3.55Å; F234-V258 HydrophobicContact CE2-CG1 3.91Å; F234-V258 HydrophobicContact CG-CG1 4.39Å; F234-V258 HydrophobicContact CG-CG2 4.34Å; F234-V258 HydrophobicContact CZ-CG1 3.48Å; F234-V258 VanDerWaalsContact CZ-CG1 3.48Å; L254-V258 HydrophobicContact CD1-CG2 4.01Å; L254-V258 HydrophobicContact CG-CG2 3.91Å; L254-V258 WeakPolarHBondContact O-CG2 3.4Å; L254-V258 PolarHBondContact O-N 3.32Å; L254-V258 VanDerWaalsContact O-N 3.13Å; V258-H262 HydrophobicContact CG1-CB 3.95Å
259	P	94.1	Very high	92.8	Very high	68 Å²	68	59.4 Å²	59.4	44%	0.442	28%	0.275	S	S	.	.			trans	-74.1	169.3	-179.7	28.7	-29.6	0	0	0	111.9	R39 R257 H262	R39-P259 WeakPolarHBondContact CD-O 3.37Å; R257-P259 WeakPolarHBondContact O-CD 3.13Å; P259-H262 HydrophobicContact CG-CB 3.92Å; P259-H262 VanDerWaalsContact O-CB 3.31Å; P259-H262 WeakPolarHBondContact O-CB 3.49Å; P259-H262 PolarHBondContact O-N 3.28Å
260	Y	95.5	Very high	92.7	Very high	52 Å²	52	60.3 Å²	60.3	20%	0.204	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	144.7	172.7	-59.8	-53.2	0	0	0	111.5	S41 E42 D46 H262	S41-Y260 WeakPolarHBondContact O-CD1 3.46Å; E42-Y260 HydrophobicContact CB-CD2 3.97Å; E42-Y260 HydrophobicContact CB-CE2 3.88Å; E42-Y260 HydrophobicContact CG-CE2 3.99Å; D46-Y260 WeakPolarHBondContact CB-OH 3.47Å; D46-Y260 WeakPolarHBondContact OD2-CE1 3.2Å; D46-Y260 PolarHBondContact OD2-OH 3.47Å; Y260-H262 PolarHBondContact O-N 3.3Å
261	L	96.8	Very high	92.5	Very high	9 Å²	9	61.4 Å²	61.4	5%	0.047	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	5.8	179.5	-57.5	170.4	0	0	0	115.3	M38 R39 H40 T101 A102 I105 T130	M38-L261 HydrophobicContact SD-CD2 4.08Å; R39-L261 WeakPolarHBondContact O-CA 3.27Å; R39-L261 PolarHBondContact O-N 3.2Å; H40-L261 PolarHBondContact O-N 2.67Å; T101-L261 VanDerWaalsContact C-CD1 3.47Å; A102-L261 HydrophobicContact CB-CD2 4.24Å; I105-L261 HydrophobicContact CG1-CB 4.22Å; I105-L261 HydrophobicContact CG1-CD1 3.78Å; I105-L261 HydrophobicContact CG1-CG 4.47Å; T130-L261 HydrophobicContact CG2-CD2 3.69Å
262	H	95.6	Very high	92.1	Very high	60 Å²	60	65.6 Å²	65.6	28%	0.278	31%	0.307	S	S	.	.			trans	-61	143.2	171.2	-167.7	61.1	0	0	0	109.3	M38 R39 F234 V258 P259 Y260	M38-H262 WeakPolarHBondContact CA-O 3.46Å; R39-H262 PolarHBondContact N-O 3.42Å; F234-H262 AromaticContact CE1-CD2 3.78Å; F234-H262 VanDerWaalsContact CZ-O 3.31Å; F234-H262 WeakPolarHBondContact CZ-O 3.43Å; V258-H262 HydrophobicContact CG1-CB 3.95Å; P259-H262 HydrophobicContact CG-CB 3.92Å; P259-H262 VanDerWaalsContact O-CB 3.31Å; P259-H262 WeakPolarHBondContact O-CB 3.49Å; P259-H262 PolarHBondContact O-N 3.28Å; Y260-H262 PolarHBondContact O-N 3.3Å
263	A	96	Very high	92.1	Very high	6 Å²	6	64.2 Å²	64.2	5%	0.05	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	150.4	-180	0	0	0	0	0	111.8	I36 I37 M38 P279	I36-A263 HydrophobicContact CG2-CB 4.04Å; I37-A263 CarbonylContact O-C 3.57Å; I37-A263 WeakPolarHBondContact O-CA 3.37Å; M38-A263 HydrophobicContact CB-CB 4.25Å; M38-A263 HydrophobicContact CE-CB 4.22Å; M38-A263 HydrophobicContact CG-CB 4.41Å; A263-P279 HydrophobicContact CB-CB 4.12Å; A263-P279 WeakPolarHBondContact O-CG 3.35Å
264	I	95	Very high	92.2	Very high	23 Å²	23	58.4 Å²	58.4	12%	0.118	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	145.9	166.4	57.3	177.9	0	0	0	108.6	I36 I37 F234 Y266 M276	I36-I264 CarbonylContact C-O 3.59Å; I36-I264 WeakPolarHBondContact CA-O 3.48Å; I37-I264 HydrophobicContact CB-CD1 4.33Å; I37-I264 HydrophobicContact CB-CG1 3.83Å; I37-I264 HydrophobicContact CD1-CD1 4.39Å; I37-I264 PolarHBondContact N-O 2.74Å; I37-I264 PolarHBondContact O-N 3.17Å; F234-I264 HydrophobicContact CB-CD1 4.06Å; F234-I264 HydrophobicContact CD1-CD1 3.88Å; F234-I264 HydrophobicContact CD1-CG1 4.07Å; F234-I264 HydrophobicContact CD1-CG2 3.9Å; F234-I264 HydrophobicContact CE1-CG1 4.34Å; F234-I264 HydrophobicContact CE1-CG2 4.13Å; F234-I264 HydrophobicContact CG-CD1 4.17Å; F234-I264 WeakPolarHBondContact O-CD1 3.21Å; I264-Y266 HydrophobicContact CB-CE2 4.47Å; I264-Y266 HydrophobicContact CD1-CE2 3.84Å; I264-Y266 HydrophobicContact CG1-CE2 4.03Å; I264-M276 HydrophobicContact CB-CE 4.36Å; I264-M276 HydrophobicContact CG2-CE 4.4Å
265	A	95.9	Very high	92.4	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.008	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	149.4	-178	0	0	0	0	0	111.7	V35 I36 M276 R277	V35-A265 CarbonylContact O-C 3.19Å; V35-A265 VanDerWaalsContact O-CA 3.27Å; V35-A265 WeakPolarHBondContact O-CA 3.29Å; I36-A265 HydrophobicContact CG1-CB 4.18Å; A265-M276 WeakPolarHBondContact O-CA 3.49Å; A265-R277 PolarHBondContact O-N 3.43Å
266	Y	95.7	Very high	92.6	Very high	0 Å²	0	63 Å²	63	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	134.4	175.3	-57.3	-95.8	0	0	0	109.7	R34 V35 I37 F237 N238 I264 E275 M276	R34-Y266 WeakPolarHBondContact CA-O 3.38Å; V35-Y266 PolarHBondContact N-O 3.37Å; V35-Y266 PolarHBondContact O-N 2.91Å; I37-Y266 HydrophobicContact CD1-CE2 4.44Å; F237-Y266 HydrophobicContact CB-CD2 4.01Å; F237-Y266 HydrophobicContact CB-CE2 3.58Å; F237-Y266 AromaticContact CD1-CD1 3.64Å; F237-Y266 HydrophobicContact CD1-CD1 3.64Å; F237-Y266 AromaticContact CD1-CD2 3.35Å; F237-Y266 HydrophobicContact CD1-CD2 3.35Å; F237-Y266 AromaticContact CD1-CE1 3.99Å; F237-Y266 HydrophobicContact CD1-CE1 3.99Å; F237-Y266 AromaticContact CD1-CE2 3.74Å; F237-Y266 HydrophobicContact CD1-CE2 3.74Å; F237-Y266 AromaticContact CD1-CG 3.29Å; F237-Y266 HydrophobicContact CD1-CG 3.29Å; F237-Y266 HydrophobicContact CE1-CD1 4.14Å; F237-Y266 AromaticContact CE1-CD2 3.99Å; F237-Y266 HydrophobicContact CE1-CD2 3.99Å; F237-Y266 AromaticContact CE1-CG 3.63Å; F237-Y266 HydrophobicContact CE1-CG 3.63Å; F237-Y266 AromaticContact CG-CD2 3.8Å; F237-Y266 HydrophobicContact CG-CD2 3.8Å; F237-Y266 AromaticContact CG-CE2 3.92Å; F237-Y266 HydrophobicContact CG-CE2 3.92Å; F237-Y266 HydrophobicContact CG-CG 4.21Å; N238-Y266 PolarHBondContact OD1-OH 3.41Å; I264-Y266 HydrophobicContact CB-CE2 4.47Å; I264-Y266 HydrophobicContact CD1-CE2 3.84Å; I264-Y266 HydrophobicContact CG1-CE2 4.03Å; Y266-E275 CarbonylContact C-O 3.54Å; Y266-E275 VanDerWaalsContact CA-O 3.23Å; Y266-E275 WeakPolarHBondContact CA-O 3.49Å; Y266-M276 HydrophobicContact CD1-CB 4.02Å; Y266-M276 HydrophobicContact CE1-CB 3.96Å; Y266-M276 HydrophobicContact CE1-CE 3.97Å; Y266-M276 HydrophobicContact CE1-CG 4.3Å; Y266-M276 WeakPolarHBondContact OH-CE 3.27Å
267	D	94.9	Very high	92.9	Very high	29 Å²	29	60.8 Å²	60.8	16%	0.155	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	132.9	171.5	-72.7	-6.3	0	0	0	109	R34 V269 W274 E275 R277	R34-D267 WeakPolarHBondContact CG-OD1 3.37Å; R34-D267 IonicContact CZ-OD1 2.84Å; R34-D267 IonicContact CZ-OD2 3.64Å; R34-D267 IonicContact NE-OD1 3.53Å; R34-D267 PolarHBondContact NE-OD1 3.41Å; R34-D267 IonicContact NE-OD2 2.69Å; R34-D267 IonicContact NH2-OD1 3.79Å; R34-D267 PolarHBondContact NH2-OD1 3.5Å; R34-D267 VanDerWaalsContact NH2-OD1 3.16Å; R34-D267 IonicContact NH2-OD2 3.29Å; R34-D267 PolarHBondContact NH2-OD2 2.9Å; D267-V269 PolarHBondContact O-N 3.45Å; D267-W274 WeakPolarHBondContact O-CA 3.38Å; D267-E275 PolarHBondContact N-O 2.87Å; D267-E275 PolarHBondContact O-N 3.36Å; D267-R277 HydrophobicContact CB-CG 3.93Å; D267-R277 WeakPolarHBondContact OD2-CG 3.43Å; D267-R277 IonicContact OD2-NE 3.43Å
268	E	94.2	Very high	93	Very high	6 Å²	6	56.3 Å²	56.3	3%	0.028	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	123.8	163	-176.3	173.6	-142.2	0	0	106.9	H32 R33 R270 N272 H273 W274	H32-E268 HydrophobicContact CB-CB 4.01Å; H32-E268 HydrophobicContact CB-CG 4.4Å; H32-E268 WeakPolarHBondContact CB-O 3.47Å; H32-E268 PolarHBondContact CD2-O 2.77Å; R33-E268 HydrophobicContact CB-CB 4.38Å; R33-E268 IonicContact CZ-OE1 3.43Å; R33-E268 IonicContact CZ-OE2 3.05Å; R33-E268 IonicContact NE-OE1 3.26Å; R33-E268 IonicContact NE-OE2 2.69Å; R33-E268 PolarHBondContact NE-OE2 3.38Å; R33-E268 IonicContact NH2-OE1 2.6Å; R33-E268 PolarHBondContact NH2-OE1 2.92Å; R33-E268 IonicContact NH2-OE2 2.77Å; R33-E268 PolarHBondContact NH2-OE2 2.84Å; R33-E268 WeakPolarHBondContact O-CB 3.5Å; R33-E268 PolarHBondContact O-N 2.87Å; E268-R270 WeakPolarHBondContact CG-O 3.35Å; E268-N272 PolarHBondContact OE1-N 3.22Å; E268-H273 CarbonylContact C-O 3.55Å; E268-H273 WeakPolarHBondContact CA-O 3.29Å; E268-W274 HydrophobicContact CB-CD2 3.95Å; E268-W274 HydrophobicContact CB-CE3 3.76Å; E268-W274 HydrophobicContact CB-CH2 3.81Å; E268-W274 HydrophobicContact CB-CZ2 3.99Å; E268-W274 HydrophobicContact CB-CZ3 3.69Å; E268-W274 HydrophobicContact CG-CZ2 4.37Å
269	V	91	Very high	92.9	Very high	33 Å²	33	58 Å²	58	20%	0.2	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	-15.8	-179.3	-61.7	0	0	0	0	112.3	H32 D267 H273 E275	H32-V269 PolarHBondContact NE2-O 2.81Å; D267-V269 PolarHBondContact O-N 3.45Å; V269-H273 HydrophobicContact CG2-CB 4.46Å; V269-H273 VanDerWaalsContact CG2-CD2 3.43Å; V269-H273 WeakPolarHBondContact CG2-CD2 3.25Å; V269-H273 PolarHBondContact N-O 3.11Å; V269-E275 HydrophobicContact CG1-CB 4.1Å; V269-E275 HydrophobicContact CG1-CG 3.93Å; V269-E275 HydrophobicContact CG2-CG 3.97Å
270	R	87.4	Confident	92.7	Very high	152 Å²	152	56.5 Å²	56.5	57%	0.574	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-158.4	162.5	166.9	57.7	-177.5	177.4	108.5	1.4	106.8	E268 N272 H273	E268-R270 WeakPolarHBondContact CG-O 3.35Å; R270-N272 PolarHBondContact O-N 2.77Å; R270-H273 HydrophobicContact CG-CB 3.32Å; R270-H273 PolarHBondContact NE-CD2 3.36Å; R270-H273 VanDerWaalsContact NE-CD2 3.32Å; R270-H273 PolarHBondContact NH2-ND1 3.13Å; R270-H273 PolarHBondContact O-N 3.5Å
271	K	85.8	Confident	92.5	Very high	178 Å²	178	54.7 Å²	54.7	77%	0.774	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.2	118.4	-177.2	-173.9	177.6	-178.4	178.4	0	111.8	H273	K271-H273 PolarHBondContact O-N 2.64Å
272	N	83.1	Confident	92	Very high	101 Å²	101	59.3 Å²	59.3	54%	0.54	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.7	21.1	-179.6	-59.2	-26.5	0	0	0	115.8	E268 R270	E268-N272 PolarHBondContact OE1-N 3.22Å; R270-N272 PolarHBondContact O-N 2.77Å
273	H	91.3	Very high	91.3	Very high	72 Å²	72	59.6 Å²	59.6	33%	0.333	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	120	173.4	-168.7	61.8	0	0	0	110.1	E268 V269 R270 K271	E268-H273 CarbonylContact C-O 3.55Å; E268-H273 WeakPolarHBondContact CA-O 3.29Å; V269-H273 HydrophobicContact CG2-CB 4.46Å; V269-H273 VanDerWaalsContact CG2-CD2 3.43Å; V269-H273 WeakPolarHBondContact CG2-CD2 3.25Å; V269-H273 PolarHBondContact N-O 3.11Å; R270-H273 HydrophobicContact CG-CB 3.32Å; R270-H273 PolarHBondContact NE-CD2 3.36Å; R270-H273 VanDerWaalsContact NE-CD2 3.32Å; R270-H273 PolarHBondContact NH2-ND1 3.13Å; R270-H273 PolarHBondContact O-N 3.5Å; K271-H273 PolarHBondContact O-N 2.64Å
274	W	94	Very high	90.7	Very high	8 Å²	8	63.7 Å²	63.7	3%	0.03	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	129.8	-168.2	-62.7	89	0	0	0	111.8	R33 V35 M216 F237 Y240 R241 D267 E268	R33-W274 HydrophobicContact CB-CH2 3.62Å; R33-W274 HydrophobicContact CB-CZ3 4.25Å; R33-W274 WeakPolarHBondContact O-CZ3 3.49Å; V35-W274 HydrophobicContact CB-CZ3 4.27Å; V35-W274 HydrophobicContact CG2-CH2 3.81Å; V35-W274 HydrophobicContact CG2-CZ3 3.8Å; M216-W274 HydrophobicContact CE-CH2 3.61Å; M216-W274 HydrophobicContact CE-CZ2 3.86Å; F237-W274 HydrophobicContact CE1-CB 4.01Å; F237-W274 AromaticContact CE1-CD2 3.57Å; F237-W274 HydrophobicContact CE1-CD2 3.57Å; F237-W274 AromaticContact CE1-CE3 3.6Å; F237-W274 HydrophobicContact CE1-CE3 3.6Å; F237-W274 AromaticContact CE1-CG 3.76Å; F237-W274 HydrophobicContact CE1-CG 3.76Å; F237-W274 HydrophobicContact CE1-CZ3 4.25Å; F237-W274 AromaticContact CZ-CD2 3.59Å; F237-W274 HydrophobicContact CZ-CD2 3.59Å; F237-W274 AromaticContact CZ-CE2 3.79Å; F237-W274 AromaticContact CZ-CE3 3.61Å; F237-W274 HydrophobicContact CZ-CE3 3.61Å; F237-W274 HydrophobicContact CZ-CG 4.16Å; F237-W274 HydrophobicContact CZ-CH2 4.03Å; F237-W274 HydrophobicContact CZ-CZ2 4.02Å; F237-W274 AromaticContact CZ-CZ3 3.83Å; F237-W274 HydrophobicContact CZ-CZ3 3.83Å; Y240-W274 HydrophobicContact CE1-CZ2 4.46Å; Y240-W274 AromaticContact CE1-NE1 3.79Å; R241-W274 HydrophobicContact CB-CB 4.07Å; R241-W274 HydrophobicContact CB-CG 4.33Å; R241-W274 PolarHBondContact NH1-O 3.14Å; D267-W274 WeakPolarHBondContact O-CA 3.38Å; E268-W274 HydrophobicContact CB-CD2 3.95Å; E268-W274 HydrophobicContact CB-CE3 3.76Å; E268-W274 HydrophobicContact CB-CH2 3.81Å; E268-W274 HydrophobicContact CB-CZ2 3.99Å; E268-W274 HydrophobicContact CB-CZ3 3.69Å; E268-W274 HydrophobicContact CG-CZ2 4.37Å
275	E	93.8	Very high	90.3	Very high	76 Å²	76	67.7 Å²	67.7	36%	0.355	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	137	174.4	-67.9	-177	-180	0	0	110	Y266 D267 V269 R277	Y266-E275 CarbonylContact C-O 3.54Å; Y266-E275 VanDerWaalsContact CA-O 3.23Å; Y266-E275 WeakPolarHBondContact CA-O 3.49Å; D267-E275 PolarHBondContact N-O 2.87Å; D267-E275 PolarHBondContact O-N 3.36Å; V269-E275 HydrophobicContact CG1-CB 4.1Å; V269-E275 HydrophobicContact CG1-CG 3.93Å; V269-E275 HydrophobicContact CG2-CG 3.97Å; E275-R277 IonicContact OE2-CZ 3.69Å; E275-R277 IonicContact OE2-NH1 2.95Å; E275-R277 IonicContact OE2-NH2 3.6Å; E275-R277 PolarHBondContact OE2-NH2 2.73Å
276	M	93.7	Very high	89.8	Confident	98 Å²	98	71.4 Å²	71.4	48%	0.483	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	137.4	172.4	-178.3	176.3	-102.4	0	0	109.3	I264 A265 Y266	I264-M276 HydrophobicContact CB-CE 4.36Å; I264-M276 HydrophobicContact CG2-CE 4.4Å; A265-M276 WeakPolarHBondContact O-CA 3.49Å; Y266-M276 HydrophobicContact CD1-CB 4.02Å; Y266-M276 HydrophobicContact CE1-CB 3.96Å; Y266-M276 HydrophobicContact CE1-CE 3.97Å; Y266-M276 HydrophobicContact CE1-CG 4.3Å; Y266-M276 WeakPolarHBondContact OH-CE 3.27Å
277	R	93.6	Very high	89.2	Confident	94 Å²	94	80 Å²	80	36%	0.355	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	156.5	177.9	-64.7	-68.1	-171.4	-152.3	-15.5	110.1	A265 D267 E275	A265-R277 PolarHBondContact O-N 3.43Å; D267-R277 HydrophobicContact CB-CG 3.93Å; D267-R277 WeakPolarHBondContact OD2-CG 3.43Å; D267-R277 IonicContact OD2-NE 3.43Å; E275-R277 IonicContact OE2-CZ 3.69Å; E275-R277 IonicContact OE2-NH1 2.95Å; E275-R277 IonicContact OE2-NH2 3.6Å; E275-R277 PolarHBondContact OE2-NH2 2.73Å
278	P	92	Very high	88.6	Confident	110 Å²	110	84.2 Å²	84.2	71%	0.714	44%	0.44	S	S	*	.			trans	-54.8	137.2	167.1	-22.8	33.9	0	0	0	110.2
279	P	91.6	Very high	88.1	Confident	43 Å²	43	91.7 Å²	91.7	28%	0.279	48%	0.48	S	S	.	.			trans	-61.4	147.3	170.2	29	-35	0	0	0	109.4	A263 V281	A263-P279 HydrophobicContact CB-CB 4.12Å; A263-P279 WeakPolarHBondContact O-CG 3.35Å; P279-V281 VanDerWaalsContact C-N 3.27Å; P279-V281 PolarHBondContact O-N 3.27Å
280	P	89.8	Confident	87.7	Confident	36 Å²	36	94 Å²	94	23%	0.234	50%	0.502	C	S	.	.	S	Bend	trans	-71.6	-23.8	-174.1	29.7	-36.2	0	0	0	113.1	Y109 L112 V114	Y109-P280 HydrophobicContact CD1-CG 4.07Å; Y109-P280 HydrophobicContact CE1-CG 3.34Å; Y109-P280 HydrophobicContact CE2-CG 4.42Å; L112-P280 VanDerWaalsContact CD1-O 3.24Å; L112-P280 WeakPolarHBondContact CD1-O 3.49Å; V114-P280 HydrophobicContact CG1-CB 4.26Å; V114-P280 HydrophobicContact CG1-CG 4.01Å; V114-P280 HydrophobicContact CG2-CB 3.51Å; V114-P280 HydrophobicContact CG2-CG 4.01Å
281	V	90.9	Very high	87.5	Confident	14 Å²	14	89.4 Å²	89.4	9%	0.085	49%	0.494	C	S	.	.	S	Bend	trans	-114.2	136.4	174.9	179.5	0	0	0	0	108.8	I105 E108 Y109 L112 P279	I105-V281 HydrophobicContact CD1-CG1 3.82Å; E108-V281 HydrophobicContact CB-CG1 4.25Å; E108-V281 HydrophobicContact CB-CG2 4.21Å; E108-V281 HydrophobicContact CG-CB 4.45Å; E108-V281 HydrophobicContact CG-CG1 3.74Å; E108-V281 HydrophobicContact CG-CG2 3.79Å; Y109-V281 HydrophobicContact CD2-CB 3.96Å; Y109-V281 HydrophobicContact CD2-CG2 3.23Å; Y109-V281 HydrophobicContact CE2-CB 3.6Å; Y109-V281 HydrophobicContact CE2-CG2 3.37Å; Y109-V281 HydrophobicContact CG-CG2 3.98Å; L112-V281 HydrophobicContact CD1-CG2 3.81Å; P279-V281 VanDerWaalsContact C-N 3.27Å; P279-V281 PolarHBondContact O-N 3.27Å
282	C	86	Confident	87.4	Confident	105 Å²	105	89.3 Å²	89.3	71%	0.709	49%	0.49	S	S	*	.			trans	-68.3	168.1	176.6	69.5	0	0	0	0	111.8
283	S	81.2	Confident	87.5	Confident	66 Å²	66	87.8 Å²	87.8	46%	0.462	48%	0.481	S	S	.	.			trans	-59.6	148.8	174	51.4	0	0	0	0	111.5	P285	S283-P285 WeakPolarHBondContact O-CD 3.16Å
284	F	84.4	Confident	87.4	Confident	92 Å²	92	93.3 Å²	93.3	40%	0.404	50%	0.5	S	S	.	.			trans	-106.6	77.7	172.7	-166.6	-79.5	0	0	0	109.5	T101 I105 Y286	T101-F284 HydrophobicContact CG2-CD1 3.98Å; T101-F284 HydrophobicContact CG2-CE1 3.53Å; T101-F284 HydrophobicContact CG2-CZ 4.14Å; I105-F284 HydrophobicContact CD1-CB 4.07Å; I105-F284 HydrophobicContact CD1-CD2 4.29Å; F284-Y286 AromaticContact CD1-CD1 3.59Å; F284-Y286 HydrophobicContact CD1-CD1 3.59Å; F284-Y286 AromaticContact CD1-CE1 3.94Å; F284-Y286 HydrophobicContact CD1-CE1 3.94Å; F284-Y286 AromaticContact CE1-CD1 3.77Å; F284-Y286 HydrophobicContact CE1-CD1 3.77Å; F284-Y286 HydrophobicContact CE1-CE1 4.23Å
285	P	85.2	Confident	87.1	Confident	108 Å²	108	99.6 Å²	99.6	70%	0.701	53%	0.529	S	S	*	.			trans	-74.8	137.9	176.6	32.2	-34.7	0	0	0	110.6	S283	S283-P285 WeakPolarHBondContact O-CD 3.16Å
286	Y	85.8	Confident	86.8	Confident	78 Å²	78	99.1 Å²	99.1	31%	0.306	53%	0.529	S	S	.	.			trans	-146.9	152.6	166	56.2	-81.1	0	0	0	108.8	E42 M97 T101 F284	E42-Y286 WeakPolarHBondContact CB-OH 2.77Å; M97-Y286 HydrophobicContact CG-CE2 3.81Å; T101-Y286 HydrophobicContact CG2-CE1 3.96Å; F284-Y286 AromaticContact CD1-CD1 3.59Å; F284-Y286 HydrophobicContact CD1-CD1 3.59Å; F284-Y286 AromaticContact CD1-CE1 3.94Å; F284-Y286 HydrophobicContact CD1-CE1 3.94Å; F284-Y286 AromaticContact CE1-CD1 3.77Å; F284-Y286 HydrophobicContact CE1-CD1 3.77Å; F284-Y286 HydrophobicContact CE1-CE1 4.23Å
287	E	84	Confident	86.1	Confident	181 Å²	181	98.4 Å²	98.4	85%	0.846	53%	0.532	S	S	*	.			trans	-87.1	156.6	177.8	-65.9	-173.6	169.3	0	0	111
288	S	82.2	Confident	85.1	Confident	118 Å²	118	97.8 Å²	97.8	83%	0.825	55%	0.554	S	S	*	*			trans	-60.8	137.2	170.6	54.3	0	0	0	0	110.4
289	N	83.9	Confident	83.8	Confident	162 Å²	162	100.7 Å²	100.7	87%	0.866	55%	0.551	S	S	*	*			trans	-108.2	108.4	172.3	-171	17.2	0	0	0	109
290	A	82.4	Confident	82.2	Confident	81 Å²	81	106.5 Å²	106.5	67%	0.669	59%	0.589	S	S	*	*			trans	-65.4	147.6	-176	0	0	0	0	0	111.5
291	S	82.2	Confident	81.8	Confident	57 Å²	57	110 Å²	110	40%	0.399	61%	0.607	S	S	.	*			trans	-63	142.5	169.3	56.8	0	0	0	0	109.5
292	Y	83.7	Confident	81.3	Confident	176 Å²	176	115.1 Å²	115.1	69%	0.69	63%	0.634	S	S	*	*			trans	-105.8	114.5	178.6	-179.5	-98.9	0	0	0	109.8	W294	Y292-W294 HydrophobicContact CD1-CB 4.19Å; Y292-W294 HydrophobicContact CE1-CB 3.69Å
293	N	85.4	Confident	81.1	Confident	68 Å²	68	115.6 Å²	115.6	36%	0.364	63%	0.63	S	S	.	*			trans	-90.5	104.5	171	-172	-16.9	0	0	0	110.2	E295 N296	N293-E295 VanDerWaalsContact C-N 3.28Å; N293-E295 PolarHBondContact O-N 2.97Å; N293-E295 WeakPolarHBondContact OD1-CB 3.45Å; N293-E295 PolarHBondContact OD1-N 3.07Å; N293-N296 CarbonylContact O-C 3.38Å; N293-N296 PolarHBondContact O-N 3.24Å; N293-N296 PolarHBondContact OD1-N 2.73Å
294	W	88.7	Confident	81.1	Confident	189 Å²	189	118.5 Å²	118.5	72%	0.716	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	-24.8	-179.7	72.5	-90.2	0	0	0	113.5	Y292 N296	Y292-W294 HydrophobicContact CD1-CB 4.19Å; Y292-W294 HydrophobicContact CE1-CB 3.69Å; W294-N296 VanDerWaalsContact C-N 3.28Å
295	E	89.5	Confident	80.9	Confident	140 Å²	140	120.2 Å²	120.2	65%	0.654	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-22	176.6	-61.1	-174.7	159.3	0	0	111.7	N293	N293-E295 VanDerWaalsContact C-N 3.28Å; N293-E295 PolarHBondContact O-N 2.97Å; N293-E295 WeakPolarHBondContact OD1-CB 3.45Å; N293-E295 PolarHBondContact OD1-N 3.07Å
296	N	85.8	Confident	80.6	Confident	65 Å²	65	121 Å²	121	35%	0.348	65%	0.651	S	S	.	*	S	Bend	trans	-139.1	65.4	-179.1	-163.4	11.3	0	0	0	111.1	N293 W294 G298 R299	N293-N296 CarbonylContact O-C 3.38Å; N293-N296 PolarHBondContact O-N 3.24Å; N293-N296 PolarHBondContact OD1-N 2.73Å; W294-N296 VanDerWaalsContact C-N 3.28Å; N296-G298 PolarHBondContact O-N 2.95Å; N296-R299 WeakPolarHBondContact ND2-CD 3.49Å; N296-R299 WeakPolarHBondContact ND2-CG 3.02Å; N296-R299 PolarHBondContact ND2-NE 2.82Å; N296-R299 PolarHBondContact O-N 3.33Å
297	P	80.6	Confident	80.2	Confident	84 Å²	84	124.1 Å²	124.1	55%	0.545	68%	0.676	S	S	.	*	T	Hydrogen-bonded Turn	trans	-58.7	129.2	-174.8	24.8	-33.8	0	0	0	110.6
298	G	71.3	Confident	79.9	Confident	80 Å²	80	119.7 Å²	119.7	83%	0.825	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	89.5	-1	177.7	0	0	0	0	0	115.5	N296	N296-G298 PolarHBondContact O-N 2.95Å
299	R	65.5	Low	79.7	Confident	171 Å²	171	119.8 Å²	119.8	65%	0.645	65%	0.649	S	S	*	*			trans	-91.7	139.5	160.9	-64.8	-148.1	-161.6	-167.7	-8.6	110.1	N296	N296-R299 WeakPolarHBondContact ND2-CD 3.49Å; N296-R299 WeakPolarHBondContact ND2-CG 3.02Å; N296-R299 PolarHBondContact ND2-NE 2.82Å; N296-R299 PolarHBondContact O-N 3.33Å
300	P	57.9	Low	79.4	Confident	165 Å²	165	116 Å²	116	100%	1.071	63%	0.63	S	S	*	*			trans	-54.8	0	166.4	-17.8	29.5	0	0	0	111.8

Retrieved 300 of 300 residues in 741 ms (Link to these results)

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