A0A077ZIQ4_TRITR Loading...

Zinc metallopeptidase

AlphaFold DB , UniProt , Accession A0A077ZIQ4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 444 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	38.1	Very low	33.7	Very low	238 Å²	238	136.1 Å²	136.1	100%	1.172	85%	0.854	S	S	*	*				0	96.1	0	-85.4	179	169.4	0	0	108.5
2	V	35.6	Very low	33.7	Very low	144 Å²	144	136.1 Å²	136.1	87%	0.873	85%	0.852	S	S	*	*			trans	-143.2	107.8	153.8	179.8	0	0	0	0	105.2
3	T	32	Very low	33.6	Very low	143 Å²	143	134.6 Å²	134.6	88%	0.877	85%	0.845	S	S	*	*			trans	-86.5	122.3	177.2	-34.1	0	0	0	0	106.5
4	A	37.5	Very low	33.6	Very low	96 Å²	96	136.1 Å²	136.1	79%	0.793	84%	0.843	S	S	*	*			trans	-123.8	125.9	172	0	0	0	0	0	109.1
5	A	35.1	Very low	33.5	Very low	97 Å²	97	133.5 Å²	133.5	80%	0.802	84%	0.84	S	S	*	*			trans	-69.4	145.3	-160.9	0	0	0	0	0	114.6
6	A	31.5	Very low	33.5	Very low	84 Å²	84	136.1 Å²	136.1	69%	0.694	84%	0.838	S	S	*	*			trans	-71.3	130.3	163.8	0	0	0	0	0	110.5
7	L	37	Very low	33.5	Very low	177 Å²	177	133.4 Å²	133.4	93%	0.927	83%	0.832	S	S	*	*			trans	-99.3	111.1	166.5	-86.7	154.3	0	0	0	108.4
8	F	30.6	Very low	33.4	Very low	195 Å²	195	131.3 Å²	131.3	86%	0.855	83%	0.83	S	S	*	*			trans	-77.9	118.3	169.2	-77.2	-87.8	0	0	0	109.5
9	G	34.7	Very low	33.4	Very low	78 Å²	78	131.4 Å²	131.4	80%	0.804	83%	0.829	S	S	*	*			trans	-113.3	111.8	165.1	0	0	0	0	0	109.3
10	T	32.9	Very low	33.4	Very low	135 Å²	135	129.6 Å²	129.6	83%	0.828	83%	0.827	S	S	*	*			trans	-76	144.8	179.4	45.5	0	0	0	0	112.6
11	S	26.1	Very low	33.3	Very low	110 Å²	110	126.1 Å²	126.1	77%	0.769	82%	0.815	S	S	*	*			trans	-42.6	141.2	172.7	53.2	0	0	0	0	117.7
12	V	33	Very low	33	Very low	136 Å²	136	120.9 Å²	120.9	82%	0.824	80%	0.797	S	S	*	*			trans	-138.5	128.5	137.3	179.9	0	0	0	0	108.1
13	P	32.7	Very low	33	Very low	117 Å²	117	121.4 Å²	121.4	76%	0.76	79%	0.794	S	S	*	*			trans	-82.3	121.6	-179	31.7	-29.7	0	0	0	110.7	A15	P13-A15 PolarHBondContact O-N 2.96Å; P13-A15 VanDerWaalsContact O-N 3.1Å
14	L	33.5	Very low	32.8	Very low	156 Å²	156	120.6 Å²	120.6	82%	0.817	78%	0.784	S	S	*	*			trans	-74.1	94.7	168.7	-90.3	148.7	0	0	0	109.2	H16	L14-H16 PolarHBondContact O-N 3.03Å; L14-H16 PolarHBondContact O-ND1 3.38Å
15	A	32.3	Very low	32.6	Very low	97 Å²	97	121.9 Å²	121.9	80%	0.802	79%	0.786	S	S	*	*			trans	-59.6	104.5	165.3	0	0	0	0	0	109	P13 A17	P13-A15 PolarHBondContact O-N 2.96Å; P13-A15 VanDerWaalsContact O-N 3.1Å; A15-A17 PolarHBondContact O-N 3.13Å; A15-A17 VanDerWaalsContact O-N 3.12Å
16	H	33.5	Very low	32.4	Very low	174 Å²	174	124.4 Å²	124.4	81%	0.806	78%	0.781	S	S	*	*			trans	-72.3	101.4	168.8	-80.1	57.2	0	0	0	107.8	L14 A18	L14-H16 PolarHBondContact O-N 3.03Å; L14-H16 PolarHBondContact O-ND1 3.38Å; H16-A18 VanDerWaalsContact C-N 3.35Å; H16-A18 PolarHBondContact O-N 3.31Å
17	A	33.1	Very low	32.8	Very low	90 Å²	90	125.1 Å²	125.1	74%	0.744	79%	0.787	S	S	*	*			trans	-65.9	99	163.3	0	0	0	0	0	107.7	A15 V19	A15-A17 PolarHBondContact O-N 3.13Å; A15-A17 VanDerWaalsContact O-N 3.12Å; A17-V19 VanDerWaalsContact C-N 3.31Å; A17-V19 PolarHBondContact O-N 3.01Å
18	A	32.6	Very low	33.2	Very low	96 Å²	96	122.3 Å²	122.3	79%	0.793	77%	0.773	S	S	*	*			trans	-65.3	92.7	167.9	0	0	0	0	0	108.3	H16 A20	H16-A18 VanDerWaalsContact C-N 3.35Å; H16-A18 PolarHBondContact O-N 3.31Å; A18-A20 VanDerWaalsContact C-N 3.27Å; A18-A20 PolarHBondContact O-N 3.16Å
19	V	32.9	Very low	33.9	Very low	133 Å²	133	121.2 Å²	121.2	81%	0.806	78%	0.776	S	S	*	*			trans	-74.1	93.8	161.7	-179.2	0	0	0	0	105.7	A17 G21	A17-V19 VanDerWaalsContact C-N 3.31Å; A17-V19 PolarHBondContact O-N 3.01Å; V19-G21 PolarHBondContact O-N 2.64Å
20	A	32.9	Very low	34.9	Very low	96 Å²	96	120.3 Å²	120.3	79%	0.793	76%	0.755	S	S	*	*			trans	-66.7	77.1	165	0	0	0	0	0	108.4	A18 T22	A18-A20 VanDerWaalsContact C-N 3.27Å; A18-A20 PolarHBondContact O-N 3.16Å; A20-T22 PolarHBondContact O-N 3.31Å
21	G	31.8	Very low	36.9	Very low	56 Å²	56	116.2 Å²	116.2	58%	0.577	73%	0.727	S	S	*	*			trans	-76	98.6	160.7	0	0	0	0	0	107.3	V19 L23	V19-G21 PolarHBondContact O-N 2.64Å; G21-L23 PolarHBondContact O-N 3.27Å
22	T	31.5	Very low	39.7	Very low	128 Å²	128	119 Å²	119	79%	0.785	73%	0.726	S	S	*	*			trans	-58.3	91.3	155.2	38.3	0	0	0	0	107.2	A20 N24	A20-T22 PolarHBondContact O-N 3.31Å; T22-N24 PolarHBondContact O-N 3.31Å
23	L	35.5	Very low	42.5	Very low	156 Å²	156	112.6 Å²	112.6	82%	0.817	69%	0.686	S	S	*	*			trans	-65.4	85.5	156.5	-77.2	164.4	0	0	0	105.4	G21 C25	G21-L23 PolarHBondContact O-N 3.27Å; L23-C25 PolarHBondContact O-N 3.46Å
24	N	28.8	Very low	45.1	Very low	125 Å²	125	111.5 Å²	111.5	67%	0.668	68%	0.678	S	S	*	*			trans	-52.8	104.9	151.8	-95.9	-1.5	0	0	0	104.8	T22 E26	T22-N24 PolarHBondContact O-N 3.31Å; N24-E26 HydrophobicContact CB-CG 4.32Å; N24-E26 PolarHBondContact O-N 2.8Å
25	C	33.2	Very low	48	Very low	124 Å²	124	106.9 Å²	106.9	84%	0.838	65%	0.654	S	S	*	*			trans	-68.2	67.7	161.3	-63.1	0	0	0	0	106.1	L23 A27	L23-C25 PolarHBondContact O-N 3.46Å; C25-A27 PolarHBondContact O-N 2.83Å
26	E	30.1	Very low	51	Low	149 Å²	149	106.3 Å²	106.3	70%	0.696	64%	0.642	S	S	*	*			trans	-55.2	122.7	156.2	-76.5	-178.3	-179.5	0	0	104.6	N24 N28	N24-E26 HydrophobicContact CB-CG 4.32Å; N24-E26 PolarHBondContact O-N 2.8Å; E26-N28 VanDerWaalsContact C-N 3.34Å; E26-N28 PolarHBondContact O-N 2.66Å
27	A	40.5	Very low	54.1	Low	99 Å²	99	100 Å²	100	82%	0.818	61%	0.613	S	S	*	*			trans	-45.3	106.2	175.1	0	0	0	0	0	106.9	C25 N29	C25-A27 PolarHBondContact O-N 2.83Å; A27-N29 PolarHBondContact O-N 3.02Å
28	N	45.5	Very low	57.2	Low	119 Å²	119	95.7 Å²	95.7	64%	0.636	58%	0.577	S	S	*	*			trans	-45.8	123	-174.2	-87.7	-23.9	0	0	0	106.4	E26 T30	E26-N28 VanDerWaalsContact C-N 3.34Å; E26-N28 PolarHBondContact O-N 2.66Å; N28-T30 PolarHBondContact O-N 3.34Å; N28-T30 PolarHBondContact O-OG1 3.44Å
29	N	43.9	Very low	60.3	Low	172 Å²	172	91.2 Å²	91.2	92%	0.92	54%	0.54	S	S	*	.			trans	-65.3	75.3	174.7	-147.6	12.3	0	0	0	106	A27 M31	A27-N29 PolarHBondContact O-N 3.02Å; N29-M31 PolarHBondContact O-N 2.77Å; N29-M31 VanDerWaalsContact O-N 3.13Å
30	T	57.6	Low	63.5	Low	58 Å²	58	84.9 Å²	84.9	36%	0.356	50%	0.502	S	S	.	.			trans	-75.5	111.7	-169	-40.7	0	0	0	0	103.2	N28 K32	N28-T30 PolarHBondContact O-N 3.34Å; N28-T30 PolarHBondContact O-OG1 3.44Å; T30-K32 PolarHBondContact O-N 3.36Å
31	M	74.9	Confident	66.6	Low	49 Å²	49	80.8 Å²	80.8	24%	0.241	47%	0.466	C	S	.	.			trans	-51.4	133	173.3	179.5	-177.2	-174.3	0	0	107.7	N29 I33 Y90 L437 V442	N29-M31 PolarHBondContact O-N 2.77Å; N29-M31 VanDerWaalsContact O-N 3.13Å; M31-I33 HydrophobicContact CE-CD1 3.97Å; M31-I33 HydrophobicContact CE-CG1 3.86Å; M31-I33 HydrophobicContact CG-CG1 4.4Å; M31-I33 HydrophobicContact SD-CD1 4.38Å; M31-I33 HydrophobicContact SD-CG1 4.38Å; M31-Y90 HydrophobicContact CE-CD1 3.32Å; M31-Y90 HydrophobicContact CE-CE1 3.41Å; M31-Y90 VanDerWaalsContact CE-CE1 3.41Å; M31-Y90 HydrophobicContact CE-CG 4.35Å; M31-L437 HydrophobicContact CB-CD2 3.81Å; M31-L437 HydrophobicContact CG-CD2 4.02Å; M31-L437 WeakPolarHBondContact O-CD2 3.36Å; M31-L437 HydrophobicContact SD-CD2 4.24Å; M31-V442 HydrophobicContact CE-CG2 4Å; M31-V442 HydrophobicContact SD-CG2 3.67Å
32	K	83.2	Confident	69.8	Low	170 Å²	170	78.9 Å²	78.9	74%	0.739	44%	0.443	S	S	*	.			trans	-105.6	112.3	173.8	-68.5	-169.2	178.1	-174.1	0	107.7	T30 T34	T30-K32 PolarHBondContact O-N 3.36Å; K32-T34 HydrophobicContact CB-CG2 4.38Å
33	I	91.9	Very high	73	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	41%	0.405	C	S	.	.			trans	-96.2	108.2	163.4	-63.5	174.1	0	0	0	105.8	M31 Y38 Y90 F432 Q436 L437 V442	M31-I33 HydrophobicContact CE-CD1 3.97Å; M31-I33 HydrophobicContact CE-CG1 3.86Å; M31-I33 HydrophobicContact CG-CG1 4.4Å; M31-I33 HydrophobicContact SD-CD1 4.38Å; M31-I33 HydrophobicContact SD-CG1 4.38Å; I33-Y38 HydrophobicContact CG2-CD1 4.05Å; I33-Y38 HydrophobicContact CG2-CE1 3.65Å; I33-Y38 HydrophobicContact CG2-CE2 4.19Å; I33-Y38 HydrophobicContact CG2-CG 4.48Å; I33-Y90 HydrophobicContact CB-CE2 4.37Å; I33-Y90 HydrophobicContact CD1-CD1 3.86Å; I33-Y90 HydrophobicContact CD1-CD2 3.61Å; I33-Y90 HydrophobicContact CD1-CE1 4.09Å; I33-Y90 HydrophobicContact CD1-CE2 3.87Å; I33-Y90 HydrophobicContact CD1-CG 3.59Å; I33-Y90 HydrophobicContact CG1-CD1 4.24Å; I33-Y90 HydrophobicContact CG1-CD2 4.21Å; I33-Y90 HydrophobicContact CG1-CE1 3.96Å; I33-Y90 HydrophobicContact CG1-CE2 3.94Å; I33-Y90 HydrophobicContact CG1-CG 4.34Å; I33-Y90 HydrophobicContact CG2-CD2 4.18Å; I33-Y90 HydrophobicContact CG2-CE2 3.55Å; I33-F432 HydrophobicContact CD1-CE1 4.02Å; I33-F432 HydrophobicContact CD1-CZ 4.13Å; I33-Q436 WeakPolarHBondContact O-CA 3.15Å; I33-L437 HydrophobicContact CB-CB 3.9Å; I33-L437 HydrophobicContact CD1-CB 4.4Å; I33-L437 HydrophobicContact CD1-CD2 4.19Å; I33-L437 HydrophobicContact CG1-CB 4.21Å; I33-L437 HydrophobicContact CG1-CD2 4.24Å; I33-L437 PolarHBondContact O-N 3.12Å; I33-V442 HydrophobicContact CD1-CG2 3.33Å
34	T	87.3	Confident	76	Confident	95 Å²	95	66.4 Å²	66.4	58%	0.583	37%	0.372	S	S	*	.			trans	-124.2	4.5	177.2	56.3	0	0	0	0	112.2	K32	K32-T34 HydrophobicContact CB-CG2 4.38Å
35	D	94.9	Very high	79.3	Confident	58 Å²	58	60.5 Å²	60.5	31%	0.31	34%	0.34	S	S	.	.			trans	-59.2	129.5	176.5	-62	-93	0	0	0	109.7	H37 Y38 P88 Y90	D35-H37 PolarHBondContact O-N 3.03Å; D35-Y38 HydrophobicContact CB-CD1 4.22Å; D35-Y38 WeakPolarHBondContact O-CD1 3.47Å; D35-P88 HydrophobicContact CB-CG 4.36Å; D35-Y90 PolarHBondContact OD2-OH 2.89Å
36	P	95.4	Very high	82.4	Confident	86 Å²	86	54.8 Å²	54.8	56%	0.558	30%	0.301	S	S	*	.	S	Bend	trans	-70.4	-23.3	-177.3	28.2	-34.6	0	0	0	111.7	Q69 D70	P36-Q69 CarbonylContact O-C 3.56Å; P36-Q69 WeakPolarHBondContact O-CA 3.33Å; P36-D70 PolarHBondContact O-N 3.26Å
37	H	98.3	Very high	85.7	Confident	40 Å²	40	49.7 Å²	49.7	19%	0.185	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	120.4	179.9	-167.5	177.1	0	0	0	110.1	D35 E67 I68 Q69 L87	D35-H37 PolarHBondContact O-N 3.03Å; H37-E67 IonicContact CE1-OE1 2.86Å; H37-E67 IonicContact NE2-OE1 3.66Å; H37-E67 PolarHBondContact NE2-OE1 3.44Å; H37-I68 CarbonylContact C-O 3.43Å; H37-I68 VanDerWaalsContact CA-O 3.27Å; H37-I68 WeakPolarHBondContact CA-O 3.33Å; H37-I68 PolarHBondContact CD2-O 3.49Å; H37-Q69 HydrophobicContact CB-CB 4.41Å; H37-Q69 HydrophobicContact CB-CG 4.05Å; H37-L87 HydrophobicContact CB-CD2 4.12Å; H37-L87 VanDerWaalsContact CE1-CD1 3.41Å; H37-L87 WeakPolarHBondContact CE1-CD1 3.28Å; H37-L87 VanDerWaalsContact NE2-CD1 3.33Å; H37-L87 WeakPolarHBondContact NE2-CD1 3.48Å
38	Y	98.4	Very high	88.4	Confident	1 Å²	1	45 Å²	45	0%	0.004	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	167.8	-179.3	64.5	-89.7	0	0	0	112.3	I33 D35 L40 I68 P88 Y90 G435	I33-Y38 HydrophobicContact CG2-CD1 4.05Å; I33-Y38 HydrophobicContact CG2-CE1 3.65Å; I33-Y38 HydrophobicContact CG2-CE2 4.19Å; I33-Y38 HydrophobicContact CG2-CG 4.48Å; D35-Y38 HydrophobicContact CB-CD1 4.22Å; D35-Y38 WeakPolarHBondContact O-CD1 3.47Å; Y38-L40 HydrophobicContact CE2-CB 4.31Å; Y38-I68 HydrophobicContact CD1-CB 4.44Å; Y38-I68 HydrophobicContact CE1-CB 4Å; Y38-I68 HydrophobicContact CE1-CG2 3.8Å; Y38-I68 HydrophobicContact CE2-CB 4.15Å; Y38-I68 HydrophobicContact CE2-CD1 3.71Å; Y38-I68 HydrophobicContact CE2-CG1 4.42Å; Y38-I68 PolarHBondContact N-O 3.11Å; Y38-I68 PolarHBondContact O-N 3.45Å; Y38-I68 WeakPolarHBondContact OH-CD1 3.49Å; Y38-P88 VanDerWaalsContact CA-O 3.31Å; Y38-P88 WeakPolarHBondContact CA-O 3.31Å; Y38-P88 WeakPolarHBondContact CB-O 3.3Å; Y38-Y90 HydrophobicContact CD1-CE2 4.42Å; Y38-Y90 AromaticContact CD2-CD2 3.49Å; Y38-Y90 HydrophobicContact CD2-CD2 3.49Å; Y38-Y90 VanDerWaalsContact CD2-CD2 3.49Å; Y38-Y90 AromaticContact CD2-CE2 3.71Å; Y38-Y90 HydrophobicContact CD2-CE2 3.71Å; Y38-Y90 AromaticContact CE2-CD2 3.99Å; Y38-Y90 HydrophobicContact CE2-CD2 3.99Å; Y38-Y90 HydrophobicContact CE2-CE2 4.32Å; Y38-Y90 HydrophobicContact CG-CD2 4.02Å; Y38-Y90 AromaticContact CG-CE2 3.75Å; Y38-Y90 HydrophobicContact CG-CE2 3.75Å; Y38-G435 WeakPolarHBondContact CE1-O 3.08Å; Y38-G435 PolarHBondContact OH-O 2.84Å
39	Y	98.5	Very high	90.9	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.008	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	138.8	170.1	-59.7	-72.5	0	0	0	111.3	T65 E67 H82 P83 D84 L87 P88 H89 Y90	Y39-T65 HydrophobicContact CD1-CG2 3.85Å; Y39-T65 HydrophobicContact CG-CG2 4.16Å; Y39-E67 HydrophobicContact CD1-CB 3.86Å; Y39-E67 HydrophobicContact CD1-CG 3.9Å; Y39-E67 HydrophobicContact CE1-CB 3.89Å; Y39-E67 HydrophobicContact CE1-CG 3.6Å; Y39-H82 HydrophobicContact CD2-CB 3.87Å; Y39-H82 AromaticContact CD2-CD2 3.7Å; Y39-H82 AromaticContact CD2-CG 3.77Å; Y39-H82 HydrophobicContact CE2-CB 3.72Å; Y39-H82 HydrophobicContact CG-CB 4.47Å; Y39-H82 AromaticContact CG-CD2 3.56Å; Y39-P83 WeakPolarHBondContact OH-CD 3.3Å; Y39-D84 VanDerWaalsContact CE2-O 3.31Å; Y39-D84 WeakPolarHBondContact CE2-O 3.34Å; Y39-D84 PolarHBondContact OH-N 3.5Å; Y39-D84 VanDerWaalsContact OH-N 3.07Å; Y39-L87 HydrophobicContact CD2-CB 4.13Å; Y39-L87 HydrophobicContact CE2-CB 3.78Å; Y39-L87 HydrophobicContact CE2-CD1 3.72Å; Y39-L87 HydrophobicContact CE2-CG 4.28Å; Y39-P88 PolarHBondContact N-O 3.3Å; Y39-H89 CarbonylContact O-C 3.52Å; Y39-H89 VanDerWaalsContact O-CA 3.24Å; Y39-H89 WeakPolarHBondContact O-CA 3.25Å; Y39-Y90 PolarHBondContact O-N 2.88Å
40	L	98.5	Very high	93.5	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	106.2	169	-174.6	65.3	0	0	0	108.7	Y38 V43 T65 V66 Y90 A92 F410 V442	Y38-L40 HydrophobicContact CE2-CB 4.31Å; L40-V43 HydrophobicContact CB-CG2 4.12Å; L40-V43 HydrophobicContact CD2-CG2 3.69Å; L40-V43 HydrophobicContact CG-CG2 3.54Å; L40-V43 VanDerWaalsContact O-CG2 3.3Å; L40-V43 WeakPolarHBondContact O-CG2 3.34Å; L40-T65 CarbonylContact O-C 3.59Å; L40-T65 VanDerWaalsContact O-CA 3.3Å; L40-T65 WeakPolarHBondContact O-CA 3.32Å; L40-V66 PolarHBondContact N-O 3.32Å; L40-V66 PolarHBondContact O-N 3.38Å; L40-Y90 CarbonylContact C-O 3.52Å; L40-A92 HydrophobicContact CD1-CB 4.07Å; L40-A92 HydrophobicContact CD2-CB 4.32Å; L40-A92 HydrophobicContact CG-CB 4.06Å; L40-F410 HydrophobicContact CD2-CE2 3.81Å; L40-F410 HydrophobicContact CD2-CZ 3.68Å; L40-V442 HydrophobicContact CD1-CG1 4.42Å
41	D	98.6	Very high	95.4	Very high	9 Å²	9	36.3 Å²	36.3	5%	0.048	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	164	-177.4	-72.4	-19.1	0	0	0	112.8	V43 T65 K80 H82 Y90 A92	D41-V43 PolarHBondContact O-N 3.14Å; D41-V43 VanDerWaalsContact O-N 3.11Å; D41-T65 WeakPolarHBondContact OD1-CB 3.49Å; D41-T65 WeakPolarHBondContact OD1-CG2 3.1Å; D41-T65 PolarHBondContact OD1-OG1 3.34Å; D41-K80 HydrophobicContact CB-CG 4.33Å; D41-H82 IonicContact OD1-CD2 3.66Å; D41-H82 IonicContact OD1-CE1 3.86Å; D41-H82 IonicContact OD1-NE2 2.81Å; D41-H82 PolarHBondContact OD1-NE2 2.93Å; D41-H82 IonicContact OD2-CE1 3.17Å; D41-H82 PolarHBondContact OD2-CE1 3.3Å; D41-H82 IonicContact OD2-NE2 2.91Å; D41-H82 PolarHBondContact OD2-NE2 3.31Å; D41-Y90 PolarHBondContact N-O 3.35Å; D41-A92 WeakPolarHBondContact O-CB 3.46Å; D41-A92 PolarHBondContact O-N 3.01Å
42	N	98.5	Very high	96.4	Very high	16 Å²	16	39.9 Å²	39.9	9%	0.086	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	52.6	32.7	176.7	-55.4	-52.8	0	0	0	113.2	L44 N79 K80 D91 G94	N42-L44 PolarHBondContact O-N 3.3Å; N42-N79 WeakPolarHBondContact CA-OD1 3.49Å; N42-N79 PolarHBondContact N-OD1 3.08Å; N42-N79 PolarHBondContact OD1-ND2 3.17Å; N42-N79 PolarHBondContact OD1-OD1 3.45Å; N42-K80 WeakPolarHBondContact OD1-CE 3.35Å; N42-D91 WeakPolarHBondContact CB-OD1 3.41Å; N42-D91 PolarHBondContact ND2-OD1 3.2Å; N42-D91 PolarHBondContact ND2-OD2 2.67Å; N42-G94 WeakPolarHBondContact O-CA 3.39Å; N42-G94 PolarHBondContact O-N 3.31Å; N42-G94 VanDerWaalsContact O-N 3.1Å
43	V	98.8	Very high	97	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	122.8	173.5	-177.9	0	0	0	0	108.1	L40 D41 L45 R63 Q64 V66 A92 M97	L40-V43 HydrophobicContact CB-CG2 4.12Å; L40-V43 HydrophobicContact CD2-CG2 3.69Å; L40-V43 HydrophobicContact CG-CG2 3.54Å; L40-V43 VanDerWaalsContact O-CG2 3.3Å; L40-V43 WeakPolarHBondContact O-CG2 3.34Å; D41-V43 PolarHBondContact O-N 3.14Å; D41-V43 VanDerWaalsContact O-N 3.11Å; V43-L45 HydrophobicContact CG1-CD2 3.68Å; V43-L45 HydrophobicContact CG1-CG 4.06Å; V43-R63 CarbonylContact O-C 3.56Å; V43-R63 VanDerWaalsContact O-CA 3.31Å; V43-R63 WeakPolarHBondContact O-CA 3.47Å; V43-Q64 PolarHBondContact N-O 2.89Å; V43-Q64 PolarHBondContact O-N 3.23Å; V43-V66 HydrophobicContact CB-CG2 3.91Å; V43-V66 HydrophobicContact CG1-CG2 3.93Å; V43-V66 HydrophobicContact CG2-CB 4.46Å; V43-V66 HydrophobicContact CG2-CG2 3.84Å; V43-A92 HydrophobicContact CB-CB 4.47Å; V43-A92 HydrophobicContact CG2-CB 3.72Å; V43-M97 HydrophobicContact CG1-CB 3.38Å; V43-M97 HydrophobicContact CG1-CG 4.2Å; V43-M97 HydrophobicContact CG1-SD 3.83Å
44	L	98.8	Very high	97	Very high	22 Å²	22	43.1 Å²	43.1	12%	0.115	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	120.1	174.8	-170.1	72.3	0	0	0	108.8	N42 T61 R63 K95 L96 M97	N42-L44 PolarHBondContact O-N 3.3Å; L44-T61 HydrophobicContact CG-CG2 4.38Å; L44-R63 HydrophobicContact CD1-CG 4.09Å; L44-K95 WeakPolarHBondContact CB-O 3.45Å; L44-K95 PolarHBondContact N-O 2.76Å; L44-L96 HydrophobicContact CD2-CB 4.49Å; L44-L96 WeakPolarHBondContact O-CA 3.35Å; L44-M97 PolarHBondContact O-N 3.41Å
45	L	98.8	Very high	97.4	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	142.8	-178.5	-62	179.5	0	0	0	110.8	V43 T61 A62 Q64 V66 L76 M97 P402	V43-L45 HydrophobicContact CG1-CD2 3.68Å; V43-L45 HydrophobicContact CG1-CG 4.06Å; L45-T61 CarbonylContact O-C 3.57Å; L45-T61 WeakPolarHBondContact O-CA 3.41Å; L45-T61 WeakPolarHBondContact O-CB 3.42Å; L45-A62 PolarHBondContact N-O 3.32Å; L45-A62 PolarHBondContact O-N 3.05Å; L45-Q64 HydrophobicContact CD1-CB 4.01Å; L45-Q64 HydrophobicContact CD1-CG 4.31Å; L45-V66 HydrophobicContact CD1-CG2 4.43Å; L45-L76 HydrophobicContact CD1-CD1 4.08Å; L45-L76 HydrophobicContact CD1-CD2 3.94Å; L45-M97 HydrophobicContact CD2-CB 3.93Å; L45-M97 HydrophobicContact CD2-CE 3.67Å; L45-M97 HydrophobicContact CD2-SD 4.43Å; L45-P402 HydrophobicContact CD1-CG 4.22Å; L45-P402 HydrophobicContact CD2-CG 4.1Å
46	E	98.8	Very high	97.4	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.019	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	131.9	169.2	-57.5	-169.7	160.6	0	0	110.8	T59 T61 L96 P392 L393 R399 S418	E46-T59 HydrophobicContact CB-CG2 4.1Å; E46-T59 HydrophobicContact CG-CG2 3.81Å; E46-T61 HydrophobicContact CG-CG2 4.16Å; E46-L96 HydrophobicContact CG-CD1 4.21Å; E46-P392 HydrophobicContact CB-CB 3.96Å; E46-P392 HydrophobicContact CG-CB 4.19Å; E46-P392 WeakPolarHBondContact OE2-CB 3.35Å; E46-L393 HydrophobicContact CB-CD1 4.14Å; E46-L393 HydrophobicContact CB-CD2 3.97Å; E46-L393 HydrophobicContact CB-CG 3.91Å; E46-R399 WeakPolarHBondContact O-CD 3.32Å; E46-S418 WeakPolarHBondContact OE1-CA 3.26Å; E46-S418 WeakPolarHBondContact OE1-CB 3.41Å; E46-S418 PolarHBondContact OE1-N 2.78Å; E46-S418 PolarHBondContact OE1-OG 3.28Å; E46-S418 PolarHBondContact OE2-OG 3.28Å
47	T	98.2	Very high	97.5	Very high	43 Å²	43	38.5 Å²	38.5	26%	0.264	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	-13.8	-177	59.5	0	0	0	0	113.5	R60 A62	T47-R60 PolarHBondContact N-O 3.45Å; T47-R60 PolarHBondContact OG1-O 3.1Å; T47-A62 HydrophobicContact CG2-CB 3.7Å
48	G	98.3	Very high	97.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.8	-164.1	167.2	0	0	0	0	0	112.8	T59 R60 G397	G48-T59 CarbonylContact O-C 3.48Å; G48-R60 PolarHBondContact O-N 2.78Å; G48-G397 WeakPolarHBondContact CA-O 3.31Å
49	F	98.2	Very high	97.5	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.018	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	156.1	173.2	-62.1	-60.6	0	0	0	111.7	Y51 A56 Q58 T59 R60 L393	F49-Y51 HydrophobicContact CB-CD2 4.32Å; F49-Y51 HydrophobicContact CB-CE1 4.46Å; F49-Y51 HydrophobicContact CB-CE2 3.71Å; F49-A56 HydrophobicContact CB-CB 3.84Å; F49-A56 HydrophobicContact CD1-CB 4.12Å; F49-A56 HydrophobicContact CD2-CB 4.18Å; F49-A56 HydrophobicContact CG-CB 3.79Å; F49-Q58 CarbonylContact C-O 3.5Å; F49-Q58 WeakPolarHBondContact CA-O 3.46Å; F49-T59 HydrophobicContact CD1-CG2 4.42Å; F49-T59 HydrophobicContact CE1-CG2 4.25Å; F49-T59 WeakPolarHBondContact CE1-OG1 3.39Å; F49-R60 PolarHBondContact O-NE 2.89Å; F49-R60 PolarHBondContact O-NH2 3.32Å; F49-L393 HydrophobicContact CD1-CD1 4.14Å; F49-L393 HydrophobicContact CD2-CD1 4.26Å; F49-L393 HydrophobicContact CE1-CD1 3.79Å; F49-L393 HydrophobicContact CE2-CB 4.31Å; F49-L393 HydrophobicContact CE2-CD1 3.92Å; F49-L393 HydrophobicContact CG-CD1 4.35Å; F49-L393 HydrophobicContact CZ-CB 4.35Å; F49-L393 HydrophobicContact CZ-CD1 3.67Å
50	D	97.7	Very high	97.5	Very high	56 Å²	56	47.4 Å²	47.4	30%	0.299	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	141.3	156.4	-63.2	-44.7	0	0	0	109	A56 V57 Q58 R60	D50-A56 WeakPolarHBondContact O-CA 3.49Å; D50-V57 PolarHBondContact O-N 2.84Å; D50-Q58 HydrophobicContact CB-CB 4.23Å; D50-Q58 PolarHBondContact N-O 3.3Å; D50-Q58 PolarHBondContact OD2-NE2 3.38Å; D50-R60 WeakPolarHBondContact OD1-CD 3.49Å; D50-R60 WeakPolarHBondContact OD1-CG 3.18Å; D50-R60 IonicContact OD1-NE 3.14Å; D50-R60 PolarHBondContact OD1-NE 3.48Å; D50-R60 VanDerWaalsContact OD1-NE 3.14Å; D50-R60 WeakPolarHBondContact OD2-CG 3.4Å
51	Y	96.9	Very high	97.5	Very high	106 Å²	106	49.7 Å²	49.7	42%	0.416	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	134.7	-173.7	-65.3	-93.2	0	0	0	111.7	F49 V55 A56 K396	F49-Y51 HydrophobicContact CB-CD2 4.32Å; F49-Y51 HydrophobicContact CB-CE1 4.46Å; F49-Y51 HydrophobicContact CB-CE2 3.71Å; Y51-V55 CarbonylContact C-O 3.41Å; Y51-V55 VanDerWaalsContact CA-O 3.27Å; Y51-V55 WeakPolarHBondContact CA-O 3.31Å; Y51-A56 HydrophobicContact CD1-CB 4.11Å; Y51-A56 HydrophobicContact CE1-CB 3.84Å; Y51-K396 PolarHBondContact OH-O 3.32Å
52	E	97	Very high	97.5	Very high	125 Å²	125	51 Å²	51	58%	0.584	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.5	125.4	164.4	-72.4	-180	-168.1	0	0	109	G54 V55 V57	E52-G54 PolarHBondContact O-N 2.88Å; E52-V55 PolarHBondContact N-O 3.33Å; E52-V55 PolarHBondContact O-N 3.43Å; E52-V57 HydrophobicContact CB-CG1 3.86Å; E52-V57 HydrophobicContact CB-CG2 4.31Å; E52-V57 HydrophobicContact CG-CG1 4.15Å; E52-V57 HydrophobicContact CG-CG2 3.82Å
53	N	95.4	Very high	97.5	Very high	170 Å²	170	57.5 Å²	57.5	91%	0.909	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	34.6	179.5	-56	-47.2	0	0	0	113.9	V55	N53-V55 VanDerWaalsContact C-N 3.33Å
54	G	93	Very high	97.5	Very high	67 Å²	67	59 Å²	59	69%	0.691	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.5	3.2	-179.5	0	0	0	0	0	115.5	E52	E52-G54 PolarHBondContact O-N 2.88Å
55	V	94.3	Very high	97.5	Very high	77 Å²	77	58 Å²	58	47%	0.467	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	131.2	176.8	-178.1	0	0	0	0	109.3	Y51 E52 N53 V57	Y51-V55 CarbonylContact C-O 3.41Å; Y51-V55 VanDerWaalsContact CA-O 3.27Å; Y51-V55 WeakPolarHBondContact CA-O 3.31Å; E52-V55 PolarHBondContact N-O 3.33Å; E52-V55 PolarHBondContact O-N 3.43Å; N53-V55 VanDerWaalsContact C-N 3.33Å; V55-V57 PolarHBondContact O-N 2.96Å
56	A	96.4	Very high	97.5	Very high	2 Å²	2	58 Å²	58	2%	0.017	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	121.9	173.4	0	0	0	0	0	110	F49 D50 Y51 Q377	F49-A56 HydrophobicContact CB-CB 3.84Å; F49-A56 HydrophobicContact CD1-CB 4.12Å; F49-A56 HydrophobicContact CD2-CB 4.18Å; F49-A56 HydrophobicContact CG-CB 3.79Å; D50-A56 WeakPolarHBondContact O-CA 3.49Å; Y51-A56 HydrophobicContact CD1-CB 4.11Å; Y51-A56 HydrophobicContact CE1-CB 3.84Å; A56-Q377 HydrophobicContact CB-CB 4.13Å
57	V	97.2	Very high	97.5	Very high	63 Å²	63	58.4 Å²	58.4	38%	0.382	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	-18	-176.8	-66.7	0	0	0	0	113.4	D50 E52 V55	D50-V57 PolarHBondContact O-N 2.84Å; E52-V57 HydrophobicContact CB-CG1 3.86Å; E52-V57 HydrophobicContact CB-CG2 4.31Å; E52-V57 HydrophobicContact CG-CG1 4.15Å; E52-V57 HydrophobicContact CG-CG2 3.82Å; V55-V57 PolarHBondContact O-N 2.96Å
58	Q	97.9	Very high	97.5	Very high	109 Å²	109	56.4 Å²	56.4	51%	0.509	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	139.5	-179.8	-177.2	179.4	-85.5	0	0	110.3	F49 D50	F49-Q58 CarbonylContact C-O 3.5Å; F49-Q58 WeakPolarHBondContact CA-O 3.46Å; D50-Q58 HydrophobicContact CB-CB 4.23Å; D50-Q58 PolarHBondContact N-O 3.3Å; D50-Q58 PolarHBondContact OD2-NE2 3.38Å
59	T	98.6	Very high	97.5	Very high	10 Å²	10	59.9 Å²	59.9	6%	0.061	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	121.2	167.7	-52.3	0	0	0	0	109.9	E46 G48 F49 E376 L393 C417	E46-T59 HydrophobicContact CB-CG2 4.1Å; E46-T59 HydrophobicContact CG-CG2 3.81Å; G48-T59 CarbonylContact O-C 3.48Å; F49-T59 HydrophobicContact CD1-CG2 4.42Å; F49-T59 HydrophobicContact CE1-CG2 4.25Å; F49-T59 WeakPolarHBondContact CE1-OG1 3.39Å; T59-E376 WeakPolarHBondContact CB-OE1 3.24Å; T59-E376 PolarHBondContact N-OE1 3.29Å; T59-E376 PolarHBondContact OG1-OE1 3.47Å; T59-L393 HydrophobicContact CG2-CD1 4.04Å; T59-C417 HydrophobicContact CG2-CB 3.87Å
60	R	98.5	Very high	97.5	Very high	112 Å²	112	65.3 Å²	65.3	42%	0.423	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	137.8	172	-70.5	-173.2	-78.6	135.8	5.7	110.4	T47 G48 F49 D50	T47-R60 PolarHBondContact N-O 3.45Å; T47-R60 PolarHBondContact OG1-O 3.1Å; G48-R60 PolarHBondContact O-N 2.78Å; F49-R60 PolarHBondContact O-NE 2.89Å; F49-R60 PolarHBondContact O-NH2 3.32Å; D50-R60 WeakPolarHBondContact OD1-CD 3.49Å; D50-R60 WeakPolarHBondContact OD1-CG 3.18Å; D50-R60 IonicContact OD1-NE 3.14Å; D50-R60 PolarHBondContact OD1-NE 3.48Å; D50-R60 VanDerWaalsContact OD1-NE 3.14Å; D50-R60 WeakPolarHBondContact OD2-CG 3.4Å
61	T	98.7	Very high	97.5	Very high	48 Å²	48	63.2 Å²	63.2	29%	0.294	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	158	174.2	57.8	0	0	0	0	111.9	L44 L45 E46 L96 S416 C417	L44-T61 HydrophobicContact CG-CG2 4.38Å; L45-T61 CarbonylContact O-C 3.57Å; L45-T61 WeakPolarHBondContact O-CA 3.41Å; L45-T61 WeakPolarHBondContact O-CB 3.42Å; E46-T61 HydrophobicContact CG-CG2 4.16Å; T61-L96 HydrophobicContact CG2-CD1 4.49Å; T61-S416 WeakPolarHBondContact CG2-O 3.45Å; T61-C417 HydrophobicContact CG2-CB 4.5Å
62	A	98.5	Very high	97.6	Very high	37 Å²	37	61.3 Å²	61.3	31%	0.306	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	146.6	174.6	0	0	0	0	0	110.4	L45 T47	L45-A62 PolarHBondContact N-O 3.32Å; L45-A62 PolarHBondContact O-N 3.05Å; T47-A62 HydrophobicContact CG2-CB 3.7Å
63	R	98.6	Very high	97.6	Very high	152 Å²	152	55.3 Å²	55.3	57%	0.574	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	132.8	170.3	-70.5	-177.2	-176.4	139.6	1.4	109.6	V43 L44 N79	V43-R63 CarbonylContact O-C 3.56Å; V43-R63 VanDerWaalsContact O-CA 3.31Å; V43-R63 WeakPolarHBondContact O-CA 3.47Å; L44-R63 HydrophobicContact CD1-CG 4.09Å; R63-N79 HydrophobicContact CB-CB 4.43Å
64	Q	98.7	Very high	97.8	Very high	32 Å²	32	48.8 Å²	48.8	15%	0.15	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	165	178.5	-62.7	-158.6	-106.9	0	0	110.1	V43 L45 R77 N79	V43-Q64 PolarHBondContact N-O 2.89Å; V43-Q64 PolarHBondContact O-N 3.23Å; L45-Q64 HydrophobicContact CD1-CB 4.01Å; L45-Q64 HydrophobicContact CD1-CG 4.31Å; Q64-R77 WeakPolarHBondContact CB-O 3.31Å; Q64-R77 PolarHBondContact NE2-O 3.01Å; Q64-N79 PolarHBondContact O-OD1 3.47Å
65	T	98.7	Very high	98	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	128.9	166.2	-65.6	0	0	0	0	108.9	Y39 L40 D41 R77 K80	Y39-T65 HydrophobicContact CD1-CG2 3.85Å; Y39-T65 HydrophobicContact CG-CG2 4.16Å; L40-T65 CarbonylContact O-C 3.59Å; L40-T65 VanDerWaalsContact O-CA 3.3Å; L40-T65 WeakPolarHBondContact O-CA 3.32Å; D41-T65 WeakPolarHBondContact OD1-CB 3.49Å; D41-T65 WeakPolarHBondContact OD1-CG2 3.1Å; D41-T65 PolarHBondContact OD1-OG1 3.34Å; T65-R77 PolarHBondContact N-O 2.85Å; T65-R77 PolarHBondContact O-N 3.27Å; T65-K80 PolarHBondContact OG1-N 2.91Å
66	V	98.6	Very high	98.2	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	121.1	172.6	-173.9	0	0	0	0	107.6	L40 V43 L45 I68 I73 L76 M97	L40-V66 PolarHBondContact N-O 3.32Å; L40-V66 PolarHBondContact O-N 3.38Å; V43-V66 HydrophobicContact CB-CG2 3.91Å; V43-V66 HydrophobicContact CG1-CG2 3.93Å; V43-V66 HydrophobicContact CG2-CB 4.46Å; V43-V66 HydrophobicContact CG2-CG2 3.84Å; L45-V66 HydrophobicContact CD1-CG2 4.43Å; V66-I68 HydrophobicContact CG1-CD1 4.31Å; V66-I68 HydrophobicContact CG1-CG1 3.97Å; V66-I73 HydrophobicContact CG1-CB 4.49Å; V66-I73 HydrophobicContact CG1-CD1 4.38Å; V66-I73 HydrophobicContact CG1-CG1 4.13Å; V66-I73 HydrophobicContact CG1-CG2 3.76Å; V66-L76 HydrophobicContact CG1-CD2 4.23Å; V66-L76 HydrophobicContact CG2-CD2 4.01Å; V66-M97 HydrophobicContact CG2-CE 4.16Å; V66-M97 HydrophobicContact CG2-SD 4.21Å
67	E	98.6	Very high	98.3	Very high	14 Å²	14	47.6 Å²	47.6	7%	0.065	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	125.4	171.8	-176	-173.3	-150.8	0	0	109.2	H37 Y39 V74 A75 R77	H37-E67 IonicContact CE1-OE1 2.86Å; H37-E67 IonicContact NE2-OE1 3.66Å; H37-E67 PolarHBondContact NE2-OE1 3.44Å; Y39-E67 HydrophobicContact CD1-CB 3.86Å; Y39-E67 HydrophobicContact CD1-CG 3.9Å; Y39-E67 HydrophobicContact CE1-CB 3.89Å; Y39-E67 HydrophobicContact CE1-CG 3.6Å; E67-V74 HydrophobicContact CB-CG2 3.83Å; E67-V74 VanDerWaalsContact CD-CG2 3.42Å; E67-V74 HydrophobicContact CG-CG2 3.4Å; E67-V74 WeakPolarHBondContact O-CG2 3.21Å; E67-V74 PolarHBondContact O-N 3.01Å; E67-V74 WeakPolarHBondContact OE2-CG2 3.42Å; E67-A75 HydrophobicContact CB-CB 4.34Å; E67-A75 PolarHBondContact N-O 3.33Å; E67-A75 WeakPolarHBondContact OE2-CB 3.41Å; E67-R77 IonicContact OE1-CZ 3.88Å; E67-R77 IonicContact OE1-NE 3.46Å; E67-R77 IonicContact OE1-NH2 2.82Å; E67-R77 PolarHBondContact OE1-NH2 2.9Å; E67-R77 VanDerWaalsContact OE1-NH2 3.11Å; E67-R77 IonicContact OE2-CZ 3.87Å; E67-R77 IonicContact OE2-NE 3.35Å; E67-R77 PolarHBondContact OE2-NE 3.07Å; E67-R77 IonicContact OE2-NH2 2.79Å; E67-R77 PolarHBondContact OE2-NH2 3.1Å
68	I	98.6	Very high	98.3	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	128.9	-176.6	-65.4	166.7	0	0	0	107.9	H37 Y38 V66 K72 A408 F410	H37-I68 CarbonylContact C-O 3.43Å; H37-I68 VanDerWaalsContact CA-O 3.27Å; H37-I68 WeakPolarHBondContact CA-O 3.33Å; H37-I68 PolarHBondContact CD2-O 3.49Å; Y38-I68 HydrophobicContact CD1-CB 4.44Å; Y38-I68 HydrophobicContact CE1-CB 4Å; Y38-I68 HydrophobicContact CE1-CG2 3.8Å; Y38-I68 HydrophobicContact CE2-CB 4.15Å; Y38-I68 HydrophobicContact CE2-CD1 3.71Å; Y38-I68 HydrophobicContact CE2-CG1 4.42Å; Y38-I68 PolarHBondContact N-O 3.11Å; Y38-I68 PolarHBondContact O-N 3.45Å; Y38-I68 WeakPolarHBondContact OH-CD1 3.49Å; V66-I68 HydrophobicContact CG1-CD1 4.31Å; V66-I68 HydrophobicContact CG1-CG1 3.97Å; I68-K72 CarbonylContact C-O 3.54Å; I68-K72 VanDerWaalsContact CA-O 3.28Å; I68-K72 WeakPolarHBondContact CA-O 3.28Å; I68-A408 HydrophobicContact CD1-CB 4.22Å; I68-A408 HydrophobicContact CG1-CB 4.1Å; I68-A408 HydrophobicContact CG2-CB 3.71Å; I68-F410 HydrophobicContact CD1-CE1 3.66Å; I68-F410 HydrophobicContact CD1-CZ 3.91Å
69	Q	98.4	Very high	98.3	Very high	72 Å²	72	49.1 Å²	49.1	34%	0.336	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	131	176.5	-174	179	2.1	0	0	110.7	P36 H37 G71 K72 V74	P36-Q69 CarbonylContact O-C 3.56Å; P36-Q69 WeakPolarHBondContact O-CA 3.33Å; H37-Q69 HydrophobicContact CB-CB 4.41Å; H37-Q69 HydrophobicContact CB-CG 4.05Å; Q69-G71 PolarHBondContact O-N 3.19Å; Q69-G71 VanDerWaalsContact O-N 3.1Å; Q69-K72 PolarHBondContact N-O 2.88Å; Q69-K72 WeakPolarHBondContact O-CB 3.5Å; Q69-K72 PolarHBondContact O-N 2.92Å; Q69-V74 HydrophobicContact CB-CG1 3.75Å; Q69-V74 HydrophobicContact CB-CG2 4.08Å
70	D	97.5	Very high	98.3	Very high	118 Å²	118	54.6 Å²	54.6	63%	0.631	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	41.1	177.2	-61.4	-49.8	0	0	0	112.7	P36 K72	P36-D70 PolarHBondContact O-N 3.26Å; D70-K72 VanDerWaalsContact C-N 3.31Å; D70-K72 PolarHBondContact O-N 2.99Å
71	G	97.1	Very high	98.3	Very high	12 Å²	12	53.2 Å²	53.2	12%	0.124	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	11.6	-179.7	0	0	0	0	0	116.1	Q69 A408 K434	Q69-G71 PolarHBondContact O-N 3.19Å; Q69-G71 VanDerWaalsContact O-N 3.1Å; G71-A408 WeakPolarHBondContact O-CB 3.41Å; G71-A408 PolarHBondContact O-N 2.91Å; G71-K434 WeakPolarHBondContact CA-O 3.27Å
72	K	98.6	Very high	98.2	Very high	66 Å²	66	53 Å²	53	29%	0.287	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	149.2	176.4	-60.6	-59	-164.7	167.9	0	111.9	I68 Q69 D70 V74 D406 D407	I68-K72 CarbonylContact C-O 3.54Å; I68-K72 VanDerWaalsContact CA-O 3.28Å; I68-K72 WeakPolarHBondContact CA-O 3.28Å; Q69-K72 PolarHBondContact N-O 2.88Å; Q69-K72 WeakPolarHBondContact O-CB 3.5Å; Q69-K72 PolarHBondContact O-N 2.92Å; D70-K72 VanDerWaalsContact C-N 3.31Å; D70-K72 PolarHBondContact O-N 2.99Å; K72-V74 PolarHBondContact O-N 2.6Å; K72-D406 CarbonylContact C-O 3.57Å; K72-D406 WeakPolarHBondContact CA-O 3.12Å; K72-D407 WeakPolarHBondContact CE-OD1 3.29Å; K72-D407 IonicContact NZ-OD1 3.41Å; K72-D407 PolarHBondContact NZ-OD1 3.27Å; K72-D407 IonicContact NZ-OD2 3.97Å
73	I	98.6	Very high	98.1	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	110.9	165.5	-60.3	175.4	0	0	0	107.3	V66 L76 M97 P402 A404 Q405 D406 A408	V66-I73 HydrophobicContact CG1-CB 4.49Å; V66-I73 HydrophobicContact CG1-CD1 4.38Å; V66-I73 HydrophobicContact CG1-CG1 4.13Å; V66-I73 HydrophobicContact CG1-CG2 3.76Å; I73-L76 HydrophobicContact CG2-CD2 4.16Å; I73-M97 HydrophobicContact CD1-CE 4.11Å; I73-P402 HydrophobicContact CD1-CB 3.43Å; I73-P402 VanDerWaalsContact CD1-CB 3.43Å; I73-P402 HydrophobicContact CD1-CG 4.43Å; I73-P402 HydrophobicContact CG2-CB 4.43Å; I73-A404 CarbonylContact O-C 3.52Å; I73-A404 WeakPolarHBondContact O-CA 3.34Å; I73-Q405 PolarHBondContact O-N 2.94Å; I73-D406 PolarHBondContact N-O 2.94Å; I73-A408 HydrophobicContact CG1-CB 3.96Å
74	V	98	Very high	98.1	Very high	33 Å²	33	51 Å²	51	20%	0.2	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-33.6	-177	-69.6	0	0	0	0	112.7	E67 Q69 K72	E67-V74 HydrophobicContact CB-CG2 3.83Å; E67-V74 VanDerWaalsContact CD-CG2 3.42Å; E67-V74 HydrophobicContact CG-CG2 3.4Å; E67-V74 WeakPolarHBondContact O-CG2 3.21Å; E67-V74 PolarHBondContact O-N 3.01Å; E67-V74 WeakPolarHBondContact OE2-CG2 3.42Å; Q69-V74 HydrophobicContact CB-CG1 3.75Å; Q69-V74 HydrophobicContact CB-CG2 4.08Å; K72-V74 PolarHBondContact O-N 2.6Å
75	A	98.1	Very high	97.9	Very high	21 Å²	21	53.6 Å²	53.6	17%	0.174	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	151.6	176.9	0	0	0	0	0	112.7	E67 R77	E67-A75 HydrophobicContact CB-CB 4.34Å; E67-A75 PolarHBondContact N-O 3.33Å; E67-A75 WeakPolarHBondContact OE2-CB 3.41Å; A75-R77 HydrophobicContact CB-CG 4.29Å
76	L	98.2	Very high	97.8	Very high	43 Å²	43	59.5 Å²	59.5	23%	0.225	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	128.7	161.9	-55	-179.3	0	0	0	108	L45 V66 I73 P402	L45-L76 HydrophobicContact CD1-CD1 4.08Å; L45-L76 HydrophobicContact CD1-CD2 3.94Å; V66-L76 HydrophobicContact CG1-CD2 4.23Å; V66-L76 HydrophobicContact CG2-CD2 4.01Å; I73-L76 HydrophobicContact CG2-CD2 4.16Å; L76-P402 HydrophobicContact CD1-CG 4.06Å; L76-P402 HydrophobicContact CD2-CG 3.78Å; L76-P402 HydrophobicContact CG-CG 4.47Å
77	R	98	Very high	97.8	Very high	57 Å²	57	60.8 Å²	60.8	22%	0.215	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	165.6	-173.9	-52.9	-171.1	176.9	-77.9	18.8	110.7	Q64 T65 E67 A75 L81 P83	Q64-R77 WeakPolarHBondContact CB-O 3.31Å; Q64-R77 PolarHBondContact NE2-O 3.01Å; T65-R77 PolarHBondContact N-O 2.85Å; T65-R77 PolarHBondContact O-N 3.27Å; E67-R77 IonicContact OE1-CZ 3.88Å; E67-R77 IonicContact OE1-NE 3.46Å; E67-R77 IonicContact OE1-NH2 2.82Å; E67-R77 PolarHBondContact OE1-NH2 2.9Å; E67-R77 VanDerWaalsContact OE1-NH2 3.11Å; E67-R77 IonicContact OE2-CZ 3.87Å; E67-R77 IonicContact OE2-NE 3.35Å; E67-R77 PolarHBondContact OE2-NE 3.07Å; E67-R77 IonicContact OE2-NH2 2.79Å; E67-R77 PolarHBondContact OE2-NH2 3.1Å; A75-R77 HydrophobicContact CB-CG 4.29Å; R77-L81 WeakPolarHBondContact CD-O 3.44Å; R77-P83 VanDerWaalsContact CZ-CG 3.48Å
78	E	98.1	Very high	97.7	Very high	148 Å²	148	62.3 Å²	62.3	69%	0.692	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.2	145.9	162.5	-66.5	-176.2	177.8	0	0	109.1	K80 L81	E78-K80 PolarHBondContact O-N 3.35Å; E78-L81 HydrophobicContact CB-CB 4.06Å; E78-L81 HydrophobicContact CB-CD2 4.15Å; E78-L81 VanDerWaalsContact O-CB 3.26Å; E78-L81 WeakPolarHBondContact O-CB 3.48Å; E78-L81 PolarHBondContact O-N 2.9Å
79	N	98.4	Very high	97.7	Very high	56 Å²	56	66.6 Å²	66.6	30%	0.299	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	130.8	-173.9	-167.7	43.3	0	0	0	111.2	N42 R63 Q64 L81	N42-N79 WeakPolarHBondContact CA-OD1 3.49Å; N42-N79 PolarHBondContact N-OD1 3.08Å; N42-N79 PolarHBondContact OD1-ND2 3.17Å; N42-N79 PolarHBondContact OD1-OD1 3.45Å; R63-N79 HydrophobicContact CB-CB 4.43Å; Q64-N79 PolarHBondContact O-OD1 3.47Å; N79-L81 PolarHBondContact O-N 3.38Å
80	K	97.5	Very high	97.6	Very high	125 Å²	125	64.3 Å²	64.3	54%	0.543	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	63	17	-176	-53.1	-175.6	173.7	-169.1	0	114.8	D41 N42 T65 E78	D41-K80 HydrophobicContact CB-CG 4.33Å; N42-K80 WeakPolarHBondContact OD1-CE 3.35Å; T65-K80 PolarHBondContact OG1-N 2.91Å; E78-K80 PolarHBondContact O-N 3.35Å
81	L	97.9	Very high	97.7	Very high	83 Å²	83	61.1 Å²	61.1	44%	0.435	33%	0.332	S	S	.	.			trans	-87	112.7	171.5	-178	66.2	0	0	0	109.6	R77 E78 N79 P83	R77-L81 WeakPolarHBondContact CD-O 3.44Å; E78-L81 HydrophobicContact CB-CB 4.06Å; E78-L81 HydrophobicContact CB-CD2 4.15Å; E78-L81 VanDerWaalsContact O-CB 3.26Å; E78-L81 WeakPolarHBondContact O-CB 3.48Å; E78-L81 PolarHBondContact O-N 2.9Å; N79-L81 PolarHBondContact O-N 3.38Å; L81-P83 WeakPolarHBondContact O-CD 3.29Å
82	H	97.7	Very high	97.7	Very high	42 Å²	42	60.8 Å²	60.8	19%	0.194	33%	0.328	C	S	.	.			trans	-114.6	96.6	178.5	-52.7	153.1	0	0	0	110	Y39 D41 D84 H89	Y39-H82 HydrophobicContact CD2-CB 3.87Å; Y39-H82 AromaticContact CD2-CD2 3.7Å; Y39-H82 AromaticContact CD2-CG 3.77Å; Y39-H82 HydrophobicContact CE2-CB 3.72Å; Y39-H82 HydrophobicContact CG-CB 4.47Å; Y39-H82 AromaticContact CG-CD2 3.56Å; D41-H82 IonicContact OD1-CD2 3.66Å; D41-H82 IonicContact OD1-CE1 3.86Å; D41-H82 IonicContact OD1-NE2 2.81Å; D41-H82 PolarHBondContact OD1-NE2 2.93Å; D41-H82 IonicContact OD2-CE1 3.17Å; D41-H82 PolarHBondContact OD2-CE1 3.3Å; D41-H82 IonicContact OD2-NE2 2.91Å; D41-H82 PolarHBondContact OD2-NE2 3.31Å; H82-D84 PolarHBondContact O-N 2.97Å; H82-H89 AromaticContact CE1-CG 3.65Å
83	P	97	Very high	97.7	Very high	82 Å²	82	60 Å²	60	53%	0.532	34%	0.339	S	S	.	.	S	Bend	trans	-59.9	-32.1	179.6	-31.6	41.1	0	0	0	114.3	Y39 R77 L81	Y39-P83 WeakPolarHBondContact OH-CD 3.3Å; R77-P83 VanDerWaalsContact CZ-CG 3.48Å; L81-P83 WeakPolarHBondContact O-CD 3.29Å
84	D	97.4	Very high	97.6	Very high	67 Å²	67	60.8 Å²	60.8	36%	0.358	35%	0.347	S	S	.	.	S	Bend	trans	-110.6	94	167.7	-174.6	-10.9	0	0	0	109.3	Y39 H82 T86 L87	Y39-D84 VanDerWaalsContact CE2-O 3.31Å; Y39-D84 WeakPolarHBondContact CE2-O 3.34Å; Y39-D84 PolarHBondContact OH-N 3.5Å; Y39-D84 VanDerWaalsContact OH-N 3.07Å; H82-D84 PolarHBondContact O-N 2.97Å; D84-T86 PolarHBondContact O-N 3.24Å; D84-T86 VanDerWaalsContact OD1-CB 3.32Å; D84-T86 WeakPolarHBondContact OD1-CB 3.48Å; D84-T86 PolarHBondContact OD1-N 3.45Å; D84-T86 PolarHBondContact OD1-OG1 3.16Å; D84-T86 PolarHBondContact OD2-OG1 2.59Å; D84-L87 HydrophobicContact CB-CD1 3.95Å; D84-L87 HydrophobicContact CB-CG 4.07Å; D84-L87 PolarHBondContact O-N 3.33Å
85	A	95.4	Very high	97.7	Very high	86 Å²	86	61.3 Å²	61.3	71%	0.711	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-4.8	-179.9	0	0	0	0	0	113.9
86	T	97.1	Very high	97.7	Very high	123 Å²	123	60.3 Å²	60.3	76%	0.755	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-16	177	74.1	0	0	0	0	113.5	D84	D84-T86 PolarHBondContact O-N 3.24Å; D84-T86 VanDerWaalsContact OD1-CB 3.32Å; D84-T86 WeakPolarHBondContact OD1-CB 3.48Å; D84-T86 PolarHBondContact OD1-N 3.45Å; D84-T86 PolarHBondContact OD1-OG1 3.16Å; D84-T86 PolarHBondContact OD2-OG1 2.59Å
87	L	97.7	Very high	97.7	Very high	28 Å²	28	58.3 Å²	58.3	15%	0.147	33%	0.328	C	S	.	.	S	Bend	trans	-74.6	148.9	178	-62.9	173.4	0	0	0	111.6	H37 Y39 D84	H37-L87 HydrophobicContact CB-CD2 4.12Å; H37-L87 VanDerWaalsContact CE1-CD1 3.41Å; H37-L87 WeakPolarHBondContact CE1-CD1 3.28Å; H37-L87 VanDerWaalsContact NE2-CD1 3.33Å; H37-L87 WeakPolarHBondContact NE2-CD1 3.48Å; Y39-L87 HydrophobicContact CD2-CB 4.13Å; Y39-L87 HydrophobicContact CE2-CB 3.78Å; Y39-L87 HydrophobicContact CE2-CD1 3.72Å; Y39-L87 HydrophobicContact CE2-CG 4.28Å; D84-L87 HydrophobicContact CB-CD1 3.95Å; D84-L87 HydrophobicContact CB-CG 4.07Å; D84-L87 PolarHBondContact O-N 3.33Å
88	P	97.4	Very high	97.8	Very high	46 Å²	46	55.7 Å²	55.7	30%	0.299	32%	0.318	S	S	.	.			trans	-55.7	146.8	169	-22.1	32.8	0	0	0	111.6	D35 Y38 Y39 Y90	D35-P88 HydrophobicContact CB-CG 4.36Å; Y38-P88 VanDerWaalsContact CA-O 3.31Å; Y38-P88 WeakPolarHBondContact CA-O 3.31Å; Y38-P88 WeakPolarHBondContact CB-O 3.3Å; Y39-P88 PolarHBondContact N-O 3.3Å; P88-Y90 HydrophobicContact CB-CE2 4.3Å
89	H	96.9	Very high	97.8	Very high	91 Å²	91	48.9 Å²	48.9	42%	0.421	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	145.7	171.2	56.4	-86.6	0	0	0	110.1	Y39 H82	Y39-H89 CarbonylContact O-C 3.52Å; Y39-H89 VanDerWaalsContact O-CA 3.24Å; Y39-H89 WeakPolarHBondContact O-CA 3.25Å; H82-H89 AromaticContact CE1-CG 3.65Å
90	Y	98	Very high	97.8	Very high	24 Å²	24	46.9 Å²	46.9	9%	0.094	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	163.6	177.2	-52.6	-74.7	0	0	0	109.4	M31 I33 D35 Y38 Y39 L40 D41 P88 V442 A443	M31-Y90 HydrophobicContact CE-CD1 3.32Å; M31-Y90 HydrophobicContact CE-CE1 3.41Å; M31-Y90 VanDerWaalsContact CE-CE1 3.41Å; M31-Y90 HydrophobicContact CE-CG 4.35Å; I33-Y90 HydrophobicContact CB-CE2 4.37Å; I33-Y90 HydrophobicContact CD1-CD1 3.86Å; I33-Y90 HydrophobicContact CD1-CD2 3.61Å; I33-Y90 HydrophobicContact CD1-CE1 4.09Å; I33-Y90 HydrophobicContact CD1-CE2 3.87Å; I33-Y90 HydrophobicContact CD1-CG 3.59Å; I33-Y90 HydrophobicContact CG1-CD1 4.24Å; I33-Y90 HydrophobicContact CG1-CD2 4.21Å; I33-Y90 HydrophobicContact CG1-CE1 3.96Å; I33-Y90 HydrophobicContact CG1-CE2 3.94Å; I33-Y90 HydrophobicContact CG1-CG 4.34Å; I33-Y90 HydrophobicContact CG2-CD2 4.18Å; I33-Y90 HydrophobicContact CG2-CE2 3.55Å; D35-Y90 PolarHBondContact OD2-OH 2.89Å; Y38-Y90 HydrophobicContact CD1-CE2 4.42Å; Y38-Y90 AromaticContact CD2-CD2 3.49Å; Y38-Y90 HydrophobicContact CD2-CD2 3.49Å; Y38-Y90 VanDerWaalsContact CD2-CD2 3.49Å; Y38-Y90 AromaticContact CD2-CE2 3.71Å; Y38-Y90 HydrophobicContact CD2-CE2 3.71Å; Y38-Y90 AromaticContact CE2-CD2 3.99Å; Y38-Y90 HydrophobicContact CE2-CD2 3.99Å; Y38-Y90 HydrophobicContact CE2-CE2 4.32Å; Y38-Y90 HydrophobicContact CG-CD2 4.02Å; Y38-Y90 AromaticContact CG-CE2 3.75Å; Y38-Y90 HydrophobicContact CG-CE2 3.75Å; Y39-Y90 PolarHBondContact O-N 2.88Å; L40-Y90 CarbonylContact C-O 3.52Å; D41-Y90 PolarHBondContact N-O 3.35Å; P88-Y90 HydrophobicContact CB-CE2 4.3Å; Y90-V442 HydrophobicContact CG-CG2 4.33Å; Y90-A443 CarbonylContact C-O 3.54Å; Y90-A443 WeakPolarHBondContact CA-O 3.4Å; Y90-A443 WeakPolarHBondContact CB-O 3.41Å
91	D	98	Very high	97.9	Very high	51 Å²	51	41.1 Å²	41.1	27%	0.273	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	115.5	-176.4	-172.4	-21.9	0	0	0	110.4	N42 G93 V442 A443	N42-D91 WeakPolarHBondContact CB-OD1 3.41Å; N42-D91 PolarHBondContact ND2-OD1 3.2Å; N42-D91 PolarHBondContact ND2-OD2 2.67Å; D91-G93 PolarHBondContact O-N 3.49Å; D91-G93 WeakPolarHBondContact OD1-CA 3.45Å; D91-G93 PolarHBondContact OD1-N 3.24Å; D91-V442 WeakPolarHBondContact O-CB 3.44Å; D91-A443 HydrophobicContact CB-CB 4.1Å; D91-A443 PolarHBondContact N-O 3.02Å; D91-A443 PolarHBondContact O-N 3.28Å; D91-A443 VanDerWaalsContact O-N 3.11Å
92	A	98.1	Very high	97.9	Very high	5 Å²	5	39.2 Å²	39.2	4%	0.041	24%	0.239	C	C	.	.			trans	-70.1	-2.7	177.4	0	0	0	0	0	113.6	L40 D41 V43 G94 K95 L412	L40-A92 HydrophobicContact CD1-CB 4.07Å; L40-A92 HydrophobicContact CD2-CB 4.32Å; L40-A92 HydrophobicContact CG-CB 4.06Å; D41-A92 WeakPolarHBondContact O-CB 3.46Å; D41-A92 PolarHBondContact O-N 3.01Å; V43-A92 HydrophobicContact CB-CB 4.47Å; V43-A92 HydrophobicContact CG2-CB 3.72Å; A92-G94 VanDerWaalsContact C-N 3.3Å; A92-G94 PolarHBondContact O-N 3.01Å; A92-K95 VanDerWaalsContact O-CB 3.26Å; A92-K95 WeakPolarHBondContact O-CB 3.39Å; A92-K95 WeakPolarHBondContact O-CG 3.46Å; A92-K95 PolarHBondContact O-N 3.01Å; A92-L412 HydrophobicContact CB-CD1 3.71Å; A92-L412 HydrophobicContact CB-CD2 4.25Å
93	G	97.5	Very high	97.9	Very high	49 Å²	49	37.2 Å²	37.2	51%	0.505	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	27.9	175.2	0	0	0	0	0	113.6	D91 K95	D91-G93 PolarHBondContact O-N 3.49Å; D91-G93 WeakPolarHBondContact OD1-CA 3.45Å; D91-G93 PolarHBondContact OD1-N 3.24Å; G93-K95 PolarHBondContact O-N 3.21Å
94	G	98.2	Very high	98	Very high	17 Å²	17	33.7 Å²	33.7	18%	0.175	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	15.1	-177.5	0	0	0	0	0	114.2	N42 A92	N42-G94 WeakPolarHBondContact O-CA 3.39Å; N42-G94 PolarHBondContact O-N 3.31Å; N42-G94 VanDerWaalsContact O-N 3.1Å; A92-G94 VanDerWaalsContact C-N 3.3Å; A92-G94 PolarHBondContact O-N 3.01Å
95	K	98.7	Very high	98.1	Very high	43 Å²	43	30.6 Å²	30.6	19%	0.187	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-78.1	146.7	-176.4	-63.1	-76.4	170.8	-91.2	0	111.5	L44 A92 G93 M97 L412 D414 T429	L44-K95 WeakPolarHBondContact CB-O 3.45Å; L44-K95 PolarHBondContact N-O 2.76Å; A92-K95 VanDerWaalsContact O-CB 3.26Å; A92-K95 WeakPolarHBondContact O-CB 3.39Å; A92-K95 WeakPolarHBondContact O-CG 3.46Å; A92-K95 PolarHBondContact O-N 3.01Å; G93-K95 PolarHBondContact O-N 3.21Å; K95-M97 PolarHBondContact O-N 2.99Å; K95-L412 HydrophobicContact CB-CB 3.91Å; K95-D414 HydrophobicContact CD-CB 4.06Å; K95-D414 WeakPolarHBondContact CE-OD1 3.41Å; K95-D414 IonicContact NZ-OD1 2.86Å; K95-D414 PolarHBondContact NZ-OD1 2.81Å; K95-T429 HydrophobicContact CD-CG2 3.87Å; K95-T429 HydrophobicContact CG-CG2 4.48Å
96	L	98.9	Very high	98.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	125.5	175.5	178.1	73.5	0	0	0	109.8	L44 E46 T61 L98 L412 V413 A415 C417 A421	L44-L96 HydrophobicContact CD2-CB 4.49Å; L44-L96 WeakPolarHBondContact O-CA 3.35Å; E46-L96 HydrophobicContact CG-CD1 4.21Å; T61-L96 HydrophobicContact CG2-CD1 4.49Å; L96-L98 HydrophobicContact CD1-CD2 4.49Å; L96-L98 HydrophobicContact CD2-CD1 4.03Å; L96-L98 HydrophobicContact CD2-CD2 3.83Å; L96-L98 HydrophobicContact CD2-CG 3.86Å; L96-L98 HydrophobicContact CG-CD2 4.02Å; L96-L98 HydrophobicContact CG-CG 4.04Å; L96-L412 CarbonylContact O-C 3.45Å; L96-L412 WeakPolarHBondContact O-CA 3.38Å; L96-V413 HydrophobicContact CB-CB 4.49Å; L96-V413 PolarHBondContact N-O 3.44Å; L96-V413 PolarHBondContact O-N 2.87Å; L96-A415 VanDerWaalsContact CB-O 3.29Å; L96-A415 WeakPolarHBondContact CB-O 3.09Å; L96-A415 HydrophobicContact CD2-CB 4.03Å; L96-C417 WeakPolarHBondContact CD2-O 3.47Å; L96-A421 HydrophobicContact CD2-CB 4.43Å
97	M	98.9	Very high	98.3	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.01	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	121.1	171.9	-176.6	176.3	95.4	0	0	110.1	V43 L44 L45 V66 I73 K95 W401 P402 F410 V411 L412	V43-M97 HydrophobicContact CG1-CB 3.38Å; V43-M97 HydrophobicContact CG1-CG 4.2Å; V43-M97 HydrophobicContact CG1-SD 3.83Å; L44-M97 PolarHBondContact O-N 3.41Å; L45-M97 HydrophobicContact CD2-CB 3.93Å; L45-M97 HydrophobicContact CD2-CE 3.67Å; L45-M97 HydrophobicContact CD2-SD 4.43Å; V66-M97 HydrophobicContact CG2-CE 4.16Å; V66-M97 HydrophobicContact CG2-SD 4.21Å; I73-M97 HydrophobicContact CD1-CE 4.11Å; K95-M97 PolarHBondContact O-N 2.99Å; M97-W401 HydrophobicContact CE-CH2 3.7Å; M97-W401 HydrophobicContact CE-CZ2 4.31Å; M97-W401 HydrophobicContact CE-CZ3 4.04Å; M97-W401 HydrophobicContact CG-CH2 3.89Å; M97-W401 HydrophobicContact CG-CZ3 4.31Å; M97-W401 HydrophobicContact SD-CH2 4.49Å; M97-P402 HydrophobicContact CE-CB 3.87Å; M97-P402 HydrophobicContact CE-CG 3.49Å; M97-P402 VanDerWaalsContact CE-CG 3.49Å; M97-F410 HydrophobicContact CG-CB 3.7Å; M97-F410 HydrophobicContact CG-CD2 3.52Å; M97-F410 HydrophobicContact CG-CE2 4.29Å; M97-F410 HydrophobicContact CG-CG 3.69Å; M97-F410 HydrophobicContact SD-CB 4.1Å; M97-F410 HydrophobicContact SD-CD1 3.95Å; M97-F410 HydrophobicContact SD-CD2 3.61Å; M97-F410 HydrophobicContact SD-CE1 4.27Å; M97-F410 HydrophobicContact SD-CE2 3.93Å; M97-F410 HydrophobicContact SD-CG 3.61Å; M97-F410 HydrophobicContact SD-CZ 4.26Å; M97-V411 WeakPolarHBondContact CA-O 3.29Å; M97-L412 HydrophobicContact CB-CD2 3.95Å; M97-L412 HydrophobicContact CG-CD2 4.28Å
98	L	98.9	Very high	98.3	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.01	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	157.6	173.2	-64.8	-177.2	0	0	0	110.2	L96 L383 P392 W401 F410 V411 V413 A421	L96-L98 HydrophobicContact CD1-CD2 4.49Å; L96-L98 HydrophobicContact CD2-CD1 4.03Å; L96-L98 HydrophobicContact CD2-CD2 3.83Å; L96-L98 HydrophobicContact CD2-CG 3.86Å; L96-L98 HydrophobicContact CG-CD2 4.02Å; L96-L98 HydrophobicContact CG-CG 4.04Å; L98-L383 HydrophobicContact CD1-CD1 4.35Å; L98-L383 HydrophobicContact CD1-CD2 4.22Å; L98-L383 HydrophobicContact CD2-CD2 4.12Å; L98-P392 HydrophobicContact CD2-CG 3.91Å; L98-W401 WeakPolarHBondContact O-CH2 3.18Å; L98-F410 CarbonylContact O-C 3.55Å; L98-F410 VanDerWaalsContact O-CA 3.27Å; L98-F410 WeakPolarHBondContact O-CA 3.31Å; L98-F410 VanDerWaalsContact O-CB 3.25Å; L98-F410 WeakPolarHBondContact O-CB 3.44Å; L98-V411 HydrophobicContact CB-CG1 4.07Å; L98-V411 PolarHBondContact N-O 3.27Å; L98-V411 PolarHBondContact O-N 3.09Å; L98-V413 HydrophobicContact CB-CG2 4.49Å; L98-V413 HydrophobicContact CD1-CG2 4.02Å; L98-V413 HydrophobicContact CG-CG2 4.27Å; L98-A421 HydrophobicContact CD1-CB 3.82Å
99	P	98.7	Very high	98.3	Very high	5 Å²	5	17.5 Å²	17.5	3%	0.032	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	149.2	172.6	-22.1	32.5	0	0	0	110.9	T387 V390 W401	P99-T387 HydrophobicContact CB-CG2 3.88Å; P99-T387 HydrophobicContact CG-CG2 4.28Å; P99-V390 HydrophobicContact CB-CB 4.07Å; P99-V390 HydrophobicContact CB-CG1 3.87Å; P99-V390 HydrophobicContact CG-CB 4.14Å; P99-V390 HydrophobicContact CG-CG1 3.69Å; P99-V390 WeakPolarHBondContact CG-O 3.27Å; P99-W401 HydrophobicContact CB-CH2 4.35Å; P99-W401 HydrophobicContact CB-CZ2 4.11Å; P99-W401 VanDerWaalsContact CD-CZ3 3.44Å; P99-W401 HydrophobicContact CG-CD2 3.66Å; P99-W401 HydrophobicContact CG-CE3 3.66Å; P99-W401 HydrophobicContact CG-CG 4.31Å; P99-W401 HydrophobicContact CG-CH2 4.01Å; P99-W401 HydrophobicContact CG-CZ2 4.01Å; P99-W401 HydrophobicContact CG-CZ3 3.85Å
100	T	98.3	Very high	98.2	Very high	13 Å²	13	13.3 Å²	13.3	8%	0.08	8%	0.081	C	C	.	.	P	Polyproline II helix	trans	-56	146.4	173	-171.5	0	0	0	0	110.1	G161 T163 I164 S409	T100-G161 PolarHBondContact OG1-O 3.48Å; T100-T163 WeakPolarHBondContact CG2-OG1 3.5Å; T100-T163 WeakPolarHBondContact OG1-CB 3.26Å; T100-T163 WeakPolarHBondContact OG1-CG2 3.18Å; T100-T163 PolarHBondContact OG1-N 2.84Å; T100-T163 PolarHBondContact OG1-OG1 3.49Å; T100-I164 HydrophobicContact CG2-CD1 4.2Å; T100-S409 PolarHBondContact N-O 2.99Å; T100-S409 VanDerWaalsContact N-O 3.15Å
101	T	98.7	Very high	98	Very high	4 Å²	4	12.4 Å²	12.4	3%	0.025	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	161	173.5	56.3	0	0	0	0	111.2	G161 T162 T163 M360 A386 T387	T101-G161 PolarHBondContact N-O 2.89Å; T101-G161 PolarHBondContact OG1-O 3.42Å; T101-T162 VanDerWaalsContact O-CA 3.31Å; T101-T162 WeakPolarHBondContact O-CA 3.32Å; T101-T162 VanDerWaalsContact OG1-CA 3.23Å; T101-T162 WeakPolarHBondContact OG1-CA 3.34Å; T101-T162 PolarHBondContact OG1-N 2.89Å; T101-T162 VanDerWaalsContact OG1-N 3.15Å; T101-T162 PolarHBondContact OG1-OG1 3.17Å; T101-T163 PolarHBondContact O-N 3.43Å; T101-M360 HydrophobicContact CG2-CB 4.09Å; T101-A386 CarbonylContact C-O 3.53Å; T101-A386 WeakPolarHBondContact CA-O 3.39Å; T101-A386 VanDerWaalsContact CB-O 3.31Å; T101-A386 WeakPolarHBondContact CB-O 3.33Å; T101-A386 HydrophobicContact CG2-CB 3.79Å; T101-T387 HydrophobicContact CG2-CG2 4.46Å
102	R	98.6	Very high	97.8	Very high	43 Å²	43	10.4 Å²	10.4	16%	0.162	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	134.3	177.8	64.3	-178	-134.8	-173.6	5.7	111.2	M104 I164 M342 M360 A386 G388	R102-M104 HydrophobicContact CB-SD 4.11Å; R102-M104 HydrophobicContact CG-CG 4.02Å; R102-M104 HydrophobicContact CG-SD 4.12Å; R102-M104 VanDerWaalsContact NE-CG 3.28Å; R102-I164 CarbonylContact C-O 3.57Å; R102-I164 WeakPolarHBondContact CA-O 3.46Å; R102-I164 HydrophobicContact CB-CB 3.8Å; R102-I164 HydrophobicContact CB-CG2 4.05Å; R102-M342 VanDerWaalsContact NH2-CG 3.32Å; R102-M342 PolarHBondContact NH2-SD 3.07Å; R102-M360 WeakPolarHBondContact O-CE 3.17Å; R102-M360 WeakPolarHBondContact O-CG 3.37Å; R102-A386 PolarHBondContact N-O 2.84Å; R102-G388 VanDerWaalsContact CZ-CA 3.47Å
103	D	98.6	Very high	97.7	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	94.6	176.6	-166.6	-29.1	0	0	0	109.6	H105 T162 I164 A165 R166 G344 T345 M360	D103-H105 PolarHBondContact O-N 3.03Å; D103-H105 PolarHBondContact OD1-N 3.23Å; D103-H105 VanDerWaalsContact OD1-O 3.09Å; D103-T162 HydrophobicContact CB-CG2 4.03Å; D103-I164 PolarHBondContact N-O 3.33Å; D103-A165 HydrophobicContact CB-CB 4.44Å; D103-A165 CarbonylContact O-C 3.59Å; D103-A165 WeakPolarHBondContact O-CA 3.11Å; D103-A165 WeakPolarHBondContact O-CB 3.1Å; D103-R166 PolarHBondContact O-N 2.99Å; D103-G344 WeakPolarHBondContact OD1-CA 3.48Å; D103-T345 PolarHBondContact OD1-N 3.3Å; D103-T345 VanDerWaalsContact OD2-CB 3.3Å; D103-T345 WeakPolarHBondContact OD2-CB 3.48Å; D103-T345 WeakPolarHBondContact OD2-CG2 3.32Å; D103-T345 PolarHBondContact OD2-N 2.81Å; D103-T345 PolarHBondContact OD2-OG1 3.36Å; D103-M360 HydrophobicContact CB-CG 4.35Å; D103-M360 HydrophobicContact CB-SD 3.88Å
104	M	98.6	Very high	97.5	Very high	9 Å²	9	12.9 Å²	12.9	4%	0.044	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	11.8	-170	-61.5	-54.1	-55.2	0	0	113.9	R102 R166 M342 T343	R102-M104 HydrophobicContact CB-SD 4.11Å; R102-M104 HydrophobicContact CG-CG 4.02Å; R102-M104 HydrophobicContact CG-SD 4.12Å; R102-M104 VanDerWaalsContact NE-CG 3.28Å; M104-R166 HydrophobicContact CE-CB 3.88Å; M104-M342 HydrophobicContact CB-CB 3.96Å; M104-M342 HydrophobicContact CB-SD 4.29Å; M104-M342 HydrophobicContact CE-SD 4.36Å; M104-M342 HydrophobicContact CG-CB 4.18Å; M104-M342 HydrophobicContact CG-SD 4.15Å; M104-T343 PolarHBondContact N-O 2.82Å
105	H	98.6	Very high	97.3	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.005	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	97.2	175.8	-171.9	107.4	0	0	0	108.9	D103 H168 H259 S291 H292 A319 G344 T345 D346	D103-H105 PolarHBondContact O-N 3.03Å; D103-H105 PolarHBondContact OD1-N 3.23Å; D103-H105 VanDerWaalsContact OD1-O 3.09Å; H105-H168 AromaticContact CE1-CE1 3.89Å; H105-H168 AromaticContact CE1-NE2 3.7Å; H105-H168 AromaticContact CG-NE2 3.74Å; H105-H168 AromaticContact ND1-CD2 3.83Å; H105-H168 AromaticContact ND1-CE1 3.71Å; H105-H168 AromaticContact ND1-NE2 3.19Å; H105-H168 PolarHBondContact ND1-NE2 3.37Å; H105-H168 VanDerWaalsContact ND1-NE2 3.19Å; H105-H259 AromaticContact CE1-CD2 3.9Å; H105-H259 AromaticContact CE1-CE1 3.17Å; H105-H259 PolarHBondContact CE1-CE1 3.33Å; H105-H259 AromaticContact CE1-ND1 3.73Å; H105-H259 AromaticContact CE1-NE2 3.31Å; H105-H259 PolarHBondContact CE1-NE2 2.95Å; H105-H259 VanDerWaalsContact CE1-NE2 3.31Å; H105-H259 AromaticContact NE2-CE1 3.61Å; H105-H259 AromaticContact NE2-NE2 3.31Å; H105-H259 PolarHBondContact NE2-NE2 2.95Å; H105-S291 WeakPolarHBondContact CE1-CB 3.19Å; H105-S291 PolarHBondContact CE1-OG 3.49Å; H105-S291 VanDerWaalsContact ND1-CB 3.34Å; H105-S291 WeakPolarHBondContact ND1-CB 3.46Å; H105-S291 PolarHBondContact ND1-OG 2.96Å; H105-H292 AromaticContact CE1-CE1 3.83Å; H105-H292 AromaticContact CE1-NE2 3.4Å; H105-H292 PolarHBondContact CE1-NE2 2.89Å; H105-H292 AromaticContact NE2-CE1 3.44Å; H105-H292 PolarHBondContact NE2-CE1 2.91Å; H105-H292 AromaticContact NE2-NE2 3.31Å; H105-H292 PolarHBondContact NE2-NE2 3.27Å; H105-A319 HydrophobicContact CB-CB 4.45Å; H105-G344 CarbonylContact O-C 3.54Å; H105-G344 WeakPolarHBondContact O-CA 3.49Å; H105-T345 PolarHBondContact O-N 2.98Å; H105-D346 IonicContact NE2-OD1 3.67Å; H105-D346 VanDerWaalsContact O-CA 3.31Å; H105-D346 WeakPolarHBondContact O-CA 3.49Å; H105-D346 PolarHBondContact O-N 3.05Å
106	I	98.4	Very high	97	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	158.5	178.9	-168.4	171.6	0	0	0	111.1	L108 L153 L157 A165 R166 S167 H168 V348	I106-L108 HydrophobicContact CD1-CD2 3.98Å; I106-L108 HydrophobicContact CG1-CD2 4.41Å; I106-L108 HydrophobicContact CG2-CD2 4.35Å; I106-L108 HydrophobicContact CG2-CG 4.14Å; I106-L153 HydrophobicContact CD1-CD1 4.47Å; I106-L153 HydrophobicContact CD1-CD2 4.22Å; I106-L153 HydrophobicContact CD1-CG 4.36Å; I106-L157 HydrophobicContact CD1-CD1 3.9Å; I106-L157 HydrophobicContact CD1-CD2 3.89Å; I106-L157 HydrophobicContact CD1-CG 4.29Å; I106-A165 HydrophobicContact CG2-CB 4.23Å; I106-R166 PolarHBondContact N-O 3.5Å; I106-R166 VanDerWaalsContact N-O 3.09Å; I106-S167 CarbonylContact O-C 3.58Å; I106-S167 WeakPolarHBondContact O-CA 3.37Å; I106-H168 PolarHBondContact O-N 2.78Å; I106-V348 HydrophobicContact CD1-CG2 4.12Å
107	H	98.1	Very high	96.6	Very high	5 Å²	5	25.1 Å²	25.1	2%	0.023	13%	0.133	C	C	.	.			trans	-108.7	90.9	171.8	-68.2	-79.6	0	0	0	112.1	D109 K110 H168 F201 H259 D346	H107-D109 VanDerWaalsContact C-N 3.34Å; H107-K110 HydrophobicContact CB-CG 4.11Å; H107-K110 VanDerWaalsContact O-O 3.1Å; H107-H168 WeakPolarHBondContact CE1-CB 3.47Å; H107-H168 PolarHBondContact ND1-O 3.5Å; H107-F201 AromaticContact CE1-CD1 3.6Å; H107-F201 AromaticContact CE1-CE1 3.52Å; H107-H259 AromaticContact CE1-NE2 3.8Å; H107-H259 AromaticContact NE2-NE2 3.48Å; H107-H259 PolarHBondContact NE2-NE2 2.83Å; H107-D346 IonicContact CD2-OD1 3.65Å; H107-D346 PolarHBondContact CD2-OD1 2.64Å; H107-D346 VanDerWaalsContact CD2-OD1 3.25Å; H107-D346 PolarHBondContact N-O 2.88Å; H107-D346 IonicContact NE2-OD1 2.92Å; H107-D346 PolarHBondContact NE2-OD1 2.92Å
108	L	98	Very high	96.1	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	15%	0.151	C	C	.	.	S	Bend	trans	-78.3	-16.9	176.5	-61.6	179.6	0	0	0	113.5	I106 A150 L153 I154 L157 S167 L183 F194	I106-L108 HydrophobicContact CD1-CD2 3.98Å; I106-L108 HydrophobicContact CG1-CD2 4.41Å; I106-L108 HydrophobicContact CG2-CD2 4.35Å; I106-L108 HydrophobicContact CG2-CG 4.14Å; L108-A150 WeakPolarHBondContact O-CB 3.46Å; L108-L153 HydrophobicContact CD2-CB 4.24Å; L108-L153 HydrophobicContact CD2-CD2 3.61Å; L108-L153 HydrophobicContact CD2-CG 3.65Å; L108-I154 HydrophobicContact CD1-CD1 4.42Å; L108-I154 HydrophobicContact CD1-CG1 4.21Å; L108-I154 HydrophobicContact CD2-CG1 4.46Å; L108-L157 HydrophobicContact CD2-CD1 4.34Å; L108-S167 WeakPolarHBondContact CB-OG 3.21Å; L108-S167 PolarHBondContact N-OG 2.84Å; L108-L183 HydrophobicContact CB-CD1 3.66Å; L108-L183 HydrophobicContact CD1-CD1 4.18Å; L108-F194 HydrophobicContact CD1-CE1 4.14Å
109	D	97.3	Very high	95.3	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.011	17%	0.174	C	C	.	.	S	Bend	trans	-82.7	-19	-175.3	73.6	-56.2	0	0	0	113.5	H107 T146 H168 C169 N170 N179 L183	H107-D109 VanDerWaalsContact C-N 3.34Å; D109-T146 WeakPolarHBondContact O-CG2 3.31Å; D109-T146 PolarHBondContact O-OG1 3.31Å; D109-H168 VanDerWaalsContact OD1-O 3.06Å; D109-C169 HydrophobicContact CB-CB 4.31Å; D109-N170 WeakPolarHBondContact OD2-CB 3.46Å; D109-N170 PolarHBondContact OD2-N 2.89Å; D109-N179 HydrophobicContact CB-CB 4.21Å; D109-N179 PolarHBondContact OD2-ND2 3.36Å; D109-L183 HydrophobicContact CB-CD2 4.5Å
110	K	94.3	Very high	94.4	Very high	3 Å²	3	35.1 Å²	35.1	1%	0.013	18%	0.184	C	C	.	.	S	Bend	trans	-143	123.6	-179.7	66.4	-167.2	-174.4	-176.5	0	110.6	H107 E135 L139 N170	H107-K110 HydrophobicContact CB-CG 4.11Å; H107-K110 VanDerWaalsContact O-O 3.1Å; K110-E135 IonicContact NZ-OE1 3.83Å; K110-E135 PolarHBondContact NZ-OE1 2.98Å; K110-L139 HydrophobicContact CB-CD2 4.13Å; K110-L139 HydrophobicContact CD-CD2 4.13Å; K110-N170 WeakPolarHBondContact CE-OD1 3.4Å; K110-N170 PolarHBondContact NZ-OD1 3.37Å
111	T	95	Very high	93.4	Very high	5 Å²	5	41.1 Å²	41.1	3%	0.031	22%	0.216	C	C	.	.			trans	-164.8	156.6	174.8	177	0	0	0	0	110.3	Y113 R149 L153 V348 I349	T111-Y113 VanDerWaalsContact OG1-CB 3.29Å; T111-Y113 WeakPolarHBondContact OG1-CB 3.41Å; T111-Y113 PolarHBondContact OG1-N 3.38Å; T111-R149 HydrophobicContact CG2-CB 3.81Å; T111-R149 VanDerWaalsContact O-CD 3.24Å; T111-R149 WeakPolarHBondContact O-CD 3.48Å; T111-R149 PolarHBondContact O-NH1 3.42Å; T111-L153 HydrophobicContact CG2-CD2 4.06Å; T111-V348 PolarHBondContact OG1-O 2.94Å; T111-I349 PolarHBondContact OG1-O 2.88Å
112	F	94.6	Very high	92.7	Very high	9 Å²	9	47 Å²	47	4%	0.039	24%	0.237	C	C	.	.	S	Bend	trans	-87.3	-15.8	164.8	-53.7	-34.4	0	0	0	113	G114 G115 R118 M138 L142 I349 D350 H351	F112-G114 PolarHBondContact O-N 3.3Å; F112-G115 PolarHBondContact O-N 3.03Å; F112-R118 HydrophobicContact CD2-CB 3.84Å; F112-R118 HydrophobicContact CD2-CG 4.25Å; F112-R118 WeakPolarHBondContact CD2-O 3.41Å; F112-R118 HydrophobicContact CE2-CB 4.06Å; F112-R118 HydrophobicContact CE2-CG 3.94Å; F112-R118 HydrophobicContact CG-CB 4.16Å; F112-R118 HydrophobicContact CZ-CG 4.18Å; F112-M138 HydrophobicContact CE1-CE 3.24Å; F112-M138 HydrophobicContact CZ-CE 3.23Å; F112-L142 HydrophobicContact CD1-CD2 4.11Å; F112-L142 HydrophobicContact CE1-CD1 4.15Å; F112-L142 HydrophobicContact CE1-CD2 4.13Å; F112-I349 HydrophobicContact CB-CG2 4.33Å; F112-I349 VanDerWaalsContact CB-O 3.29Å; F112-I349 WeakPolarHBondContact CB-O 3.38Å; F112-I349 HydrophobicContact CD2-CG2 4.36Å; F112-I349 PolarHBondContact N-O 3.41Å; F112-D350 WeakPolarHBondContact CE2-O 3.37Å; F112-H351 HydrophobicContact CE2-CB 4.49Å; F112-H351 HydrophobicContact CZ-CB 3.95Å
113	Y	95.5	Very high	92.1	Very high	78 Å²	78	48.9 Å²	48.9	31%	0.306	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	136.1	178.8	-173.1	-96.3	0	0	0	110.9	T111 G115 R149 K152 L153 L156	T111-Y113 VanDerWaalsContact OG1-CB 3.29Å; T111-Y113 WeakPolarHBondContact OG1-CB 3.41Å; T111-Y113 PolarHBondContact OG1-N 3.38Å; Y113-G115 VanDerWaalsContact C-N 3.29Å; Y113-G115 PolarHBondContact O-N 3.19Å; Y113-R149 WeakPolarHBondContact O-CD 3.22Å; Y113-R149 WeakPolarHBondContact O-CG 3.26Å; Y113-K152 HydrophobicContact CD1-CB 4.13Å; Y113-K152 HydrophobicContact CE1-CB 4Å; Y113-K152 WeakPolarHBondContact CE1-O 3.32Å; Y113-L153 HydrophobicContact CD1-CB 4.32Å; Y113-L153 HydrophobicContact CD1-CD1 4.49Å; Y113-L156 HydrophobicContact CD2-CD2 4.1Å; Y113-L156 HydrophobicContact CE1-CB 3.87Å; Y113-L156 HydrophobicContact CE1-CD2 4.25Å; Y113-L156 HydrophobicContact CE2-CD1 4.39Å; Y113-L156 HydrophobicContact CE2-CD2 3.81Å; Y113-L156 HydrophobicContact CE2-CG 4.5Å; Y113-L156 HydrophobicContact CG-CD2 4.45Å
114	G	93.5	Very high	91.6	Very high	28 Å²	28	54.2 Å²	54.2	29%	0.289	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	-7.3	-174.4	0	0	0	0	0	115.7	F112 K152	F112-G114 PolarHBondContact O-N 3.3Å; G114-K152 VanDerWaalsContact CA-CD 3.46Å; G114-K152 PolarHBondContact O-NZ 2.96Å
115	G	93	Very high	91.1	Very high	31 Å²	31	57.2 Å²	57.2	32%	0.32	33%	0.333	S	S	.	.	S	Bend	trans	-109	-173	167.8	0	0	0	0	0	113	F112 Y113	F112-G115 PolarHBondContact O-N 3.03Å; Y113-G115 VanDerWaalsContact C-N 3.29Å; Y113-G115 PolarHBondContact O-N 3.19Å
116	P	92.2	Very high	90.8	Very high	113 Å²	113	58.7 Å²	58.7	73%	0.734	34%	0.342	S	S	*	.	S	Bend	trans	-60.3	148.7	173.6	-21.7	33.1	0	0	0	112.2	R118	P116-R118 PolarHBondContact O-N 3.28Å
117	W	91.5	Very high	90.5	Very high	174 Å²	174	61.9 Å²	61.9	66%	0.659	36%	0.361	S	S	*	.			trans	-55.2	129.1	172.9	171.6	-105.6	0	0	0	111	I349 P354	W117-I349 HydrophobicContact CE3-CG2 4.13Å; W117-I349 HydrophobicContact CH2-CG2 4.47Å; W117-I349 HydrophobicContact CZ3-CD1 4.24Å; W117-I349 HydrophobicContact CZ3-CG2 3.65Å; W117-P354 HydrophobicContact CH2-CB 4.3Å
118	R	88.1	Confident	90.2	Very high	102 Å²	102	64 Å²	64	39%	0.385	37%	0.372	S	S	.	.			trans	-136.2	117.6	174.7	-177.3	172.8	179.1	171	0.3	108.1	F112 P116 E141	F112-R118 HydrophobicContact CD2-CB 3.84Å; F112-R118 HydrophobicContact CD2-CG 4.25Å; F112-R118 WeakPolarHBondContact CD2-O 3.41Å; F112-R118 HydrophobicContact CE2-CB 4.06Å; F112-R118 HydrophobicContact CE2-CG 3.94Å; F112-R118 HydrophobicContact CG-CB 4.16Å; F112-R118 HydrophobicContact CZ-CG 4.18Å; P116-R118 PolarHBondContact O-N 3.28Å; R118-E141 IonicContact NH1-OE2 3.64Å
119	S	82.3	Confident	90	Very high	70 Å²	70	66.8 Å²	66.8	49%	0.49	39%	0.385	S	S	.	.			trans	-81.9	165	173.3	-169.7	0	0	0	0	111.1
120	L	80.1	Confident	89.9	Confident	47 Å²	47	69.9 Å²	69.9	25%	0.246	40%	0.402	C	S	.	.			trans	-66.3	140.5	169.8	-59.4	-169.3	0	0	0	111.4	D350 H351 P354	L120-D350 WeakPolarHBondContact CD2-O 3.38Å; L120-H351 VanDerWaalsContact CD2-CA 3.46Å; L120-H351 WeakPolarHBondContact CD2-O 3.43Å; L120-P354 HydrophobicContact CD1-CG 4.39Å; L120-P354 HydrophobicContact CG-CB 4.45Å; L120-P354 HydrophobicContact CG-CG 4.46Å
121	N	76.8	Confident	89.9	Confident	139 Å²	139	70 Å²	70	74%	0.743	40%	0.402	S	S	*	.			trans	-108.2	85.2	160.9	-175.1	16.7	0	0	0	108.9
122	R	84.1	Confident	89.9	Confident	128 Å²	128	69.9 Å²	69.9	48%	0.483	40%	0.402	S	S	.	.			trans	-124.9	82.8	-176.1	-167.8	172.7	-177.8	174.5	0.1	110.9	T126 M131	R122-T126 HydrophobicContact CG-CG2 3.86Å; R122-M131 HydrophobicContact CG-SD 4.35Å
123	P	85.7	Confident	89.9	Confident	82 Å²	82	75 Å²	75	53%	0.532	42%	0.424	S	S	.	.			trans	-55.6	157.2	175.3	-24.2	34	0	0	0	112.7	G125 T126	P123-G125 PolarHBondContact O-N 3.33Å; P123-T126 WeakPolarHBondContact CD-OG1 3.28Å; P123-T126 WeakPolarHBondContact O-CB 3.29Å; P123-T126 PolarHBondContact O-N 2.94Å; P123-T126 VanDerWaalsContact O-N 3.14Å; P123-T126 PolarHBondContact O-OG1 3.32Å
124	A	87.7	Confident	89.8	Confident	111 Å²	111	74.1 Å²	74.1	92%	0.917	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	136	172.2	0	0	0	0	0	110.6
125	G	88.6	Confident	89.8	Confident	73 Å²	73	72.8 Å²	72.8	75%	0.753	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.9	2.7	-177.2	0	0	0	0	0	115.6	P123 T127	P123-G125 PolarHBondContact O-N 3.33Å; G125-T127 PolarHBondContact O-N 3.05Å
126	T	92.2	Very high	90	Very high	32 Å²	32	75.3 Å²	75.3	20%	0.196	41%	0.414	C	S	.	.			trans	-58.5	122.6	174.4	-57.4	0	0	0	0	111.1	R122 P123 D130 M131	R122-T126 HydrophobicContact CG-CG2 3.86Å; P123-T126 WeakPolarHBondContact CD-OG1 3.28Å; P123-T126 WeakPolarHBondContact O-CB 3.29Å; P123-T126 PolarHBondContact O-N 2.94Å; P123-T126 VanDerWaalsContact O-N 3.14Å; P123-T126 PolarHBondContact O-OG1 3.32Å; T126-D130 HydrophobicContact CG2-CB 3.81Å; T126-M131 HydrophobicContact CG2-CG 4.08Å; T126-M131 HydrophobicContact CG2-SD 3.65Å
127	T	92.6	Very high	90.1	Very high	67 Å²	67	77.5 Å²	77.5	41%	0.411	41%	0.412	S	S	.	.			trans	-90.7	167.6	-179.7	69.7	0	0	0	0	112.3	G125 Q129 D130 M131	G125-T127 PolarHBondContact O-N 3.05Å; T127-Q129 PolarHBondContact O-N 3.33Å; T127-Q129 PolarHBondContact OG1-N 3.3Å; T127-D130 WeakPolarHBondContact CB-OD2 3.16Å; T127-D130 PolarHBondContact N-OD2 3.29Å; T127-D130 PolarHBondContact O-N 2.96Å; T127-D130 PolarHBondContact OG1-N 2.94Å; T127-D130 PolarHBondContact OG1-OD2 3.1Å; T127-M131 PolarHBondContact O-N 2.85Å; T127-M131 VanDerWaalsContact O-N 3.14Å
128	I	92.3	Very high	90.2	Very high	48 Å²	48	69.4 Å²	69.4	25%	0.246	38%	0.381	C	S	.	.	H	α-helix	trans	-58.2	-36.6	170.8	-174.8	58.9	0	0	0	112	D130 M131 I132 V234 W352	I128-D130 VanDerWaalsContact C-N 3.31Å; I128-D130 PolarHBondContact O-N 3.09Å; I128-M131 WeakPolarHBondContact O-CB 3.42Å; I128-M131 PolarHBondContact O-N 2.69Å; I128-I132 HydrophobicContact CG1-CD1 4.33Å; I128-I132 WeakPolarHBondContact O-CG1 3.4Å; I128-I132 PolarHBondContact O-N 2.77Å; I128-V234 HydrophobicContact CG1-CG2 3.79Å; I128-V234 HydrophobicContact CG2-CG2 4.34Å; I128-W352 HydrophobicContact CD1-CH2 3.52Å; I128-W352 HydrophobicContact CD1-CZ3 3.54Å
129	Q	93.7	Very high	90.5	Very high	61 Å²	61	64.6 Å²	64.6	29%	0.285	36%	0.363	S	S	.	.	H	α-helix	trans	-66.9	-33.3	178.1	-64	-62.2	-35.7	0	0	112.2	T127 K133	T127-Q129 PolarHBondContact O-N 3.33Å; T127-Q129 PolarHBondContact OG1-N 3.3Å; Q129-K133 WeakPolarHBondContact O-CG 3.29Å; Q129-K133 PolarHBondContact O-N 2.94Å; Q129-K133 VanDerWaalsContact O-N 3.09Å
130	D	94.3	Very high	91.2	Very high	67 Å²	67	64.5 Å²	64.5	36%	0.358	36%	0.361	S	S	.	.	H	α-helix	trans	-69.9	-38.1	174	-59	-45.9	0	0	0	111.4	T126 T127 I128 K133 L134	T126-D130 HydrophobicContact CG2-CB 3.81Å; T127-D130 WeakPolarHBondContact CB-OD2 3.16Å; T127-D130 PolarHBondContact N-OD2 3.29Å; T127-D130 PolarHBondContact O-N 2.96Å; T127-D130 PolarHBondContact OG1-N 2.94Å; T127-D130 PolarHBondContact OG1-OD2 3.1Å; I128-D130 VanDerWaalsContact C-N 3.31Å; I128-D130 PolarHBondContact O-N 3.09Å; D130-K133 PolarHBondContact O-N 3.01Å; D130-L134 WeakPolarHBondContact O-CB 3.44Å; D130-L134 PolarHBondContact O-N 2.81Å
131	M	94	Very high	91.9	Very high	4 Å²	4	67.5 Å²	67.5	2%	0.02	37%	0.373	C	S	.	.	H	α-helix	trans	-65.1	-42	174.8	-64	-54.4	-59.1	0	0	111.9	R122 T126 T127 I128 K133 L134 E135 H351 W352	R122-M131 HydrophobicContact CG-SD 4.35Å; T126-M131 HydrophobicContact CG2-CG 4.08Å; T126-M131 HydrophobicContact CG2-SD 3.65Å; T127-M131 PolarHBondContact O-N 2.85Å; T127-M131 VanDerWaalsContact O-N 3.14Å; I128-M131 WeakPolarHBondContact O-CB 3.42Å; I128-M131 PolarHBondContact O-N 2.69Å; M131-K133 PolarHBondContact O-N 3.32Å; M131-L134 HydrophobicContact CE-CD2 4.18Å; M131-L134 WeakPolarHBondContact O-CB 3.44Å; M131-L134 PolarHBondContact O-N 3.32Å; M131-E135 WeakPolarHBondContact O-CB 3.43Å; M131-E135 PolarHBondContact O-N 2.95Å; M131-H351 WeakPolarHBondContact CE-O 3.46Å; M131-W352 HydrophobicContact CB-CE3 4.25Å; M131-W352 HydrophobicContact CB-CH2 3.43Å; M131-W352 VanDerWaalsContact CB-CH2 3.43Å; M131-W352 HydrophobicContact CB-CZ2 4.26Å; M131-W352 HydrophobicContact CB-CZ3 3.42Å; M131-W352 VanDerWaalsContact CB-CZ3 3.42Å; M131-W352 HydrophobicContact CE-CE3 4.24Å; M131-W352 HydrophobicContact CE-CZ3 4.48Å; M131-W352 HydrophobicContact CG-CE3 4.42Å; M131-W352 HydrophobicContact CG-CH2 4.36Å; M131-W352 HydrophobicContact CG-CZ3 3.84Å
132	I	95	Very high	92.7	Very high	4 Å²	4	61.4 Å²	61.4	2%	0.021	34%	0.341	C	S	.	.	H	α-helix	trans	-59.3	-46.7	173.4	-70.7	168.7	0	0	0	110.5	I128 L134 E135 Q136 H204 L208 V234	I128-I132 HydrophobicContact CG1-CD1 4.33Å; I128-I132 WeakPolarHBondContact O-CG1 3.4Å; I128-I132 PolarHBondContact O-N 2.77Å; I132-L134 VanDerWaalsContact C-N 3.31Å; I132-L134 PolarHBondContact O-N 2.97Å; I132-E135 PolarHBondContact O-N 3.33Å; I132-Q136 VanDerWaalsContact O-CG 3.28Å; I132-Q136 WeakPolarHBondContact O-CG 3.33Å; I132-Q136 PolarHBondContact O-N 2.74Å; I132-H204 HydrophobicContact CG2-CB 3.94Å; I132-L208 HydrophobicContact CD1-CD2 4.39Å; I132-V234 HydrophobicContact CD1-CG1 4.1Å
133	K	94.5	Very high	93.3	Very high	117 Å²	117	57.5 Å²	57.5	51%	0.509	33%	0.328	S	S	.	.	H	α-helix	trans	-62.6	-36	177	-72.7	169.2	-171.7	166.2	0	113	Q129 D130 M131	Q129-K133 WeakPolarHBondContact O-CG 3.29Å; Q129-K133 PolarHBondContact O-N 2.94Å; Q129-K133 VanDerWaalsContact O-N 3.09Å; D130-K133 PolarHBondContact O-N 3.01Å; M131-K133 PolarHBondContact O-N 3.32Å
134	L	93.7	Very high	93.8	Very high	58 Å²	58	58.6 Å²	58.6	30%	0.304	34%	0.335	S	S	.	.	H	α-helix	trans	-65.2	-47.6	174.7	175	62.9	0	0	0	110.4	D130 M131 I132 Q136 K137 M138	D130-L134 WeakPolarHBondContact O-CB 3.44Å; D130-L134 PolarHBondContact O-N 2.81Å; M131-L134 HydrophobicContact CE-CD2 4.18Å; M131-L134 WeakPolarHBondContact O-CB 3.44Å; M131-L134 PolarHBondContact O-N 3.32Å; I132-L134 VanDerWaalsContact C-N 3.31Å; I132-L134 PolarHBondContact O-N 2.97Å; L134-Q136 VanDerWaalsContact C-N 3.34Å; L134-Q136 PolarHBondContact O-N 2.82Å; L134-K137 PolarHBondContact O-N 3.49Å; L134-K137 VanDerWaalsContact O-N 3.11Å; L134-M138 HydrophobicContact CD1-CG 4.31Å; L134-M138 HydrophobicContact CD1-SD 3.98Å; L134-M138 HydrophobicContact CD2-SD 4.39Å; L134-M138 HydrophobicContact CG-SD 3.96Å; L134-M138 PolarHBondContact O-N 2.84Å
135	E	94	Very high	94.2	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-62.2	-39.6	179.9	-171.7	170.8	-126	0	0	112	K110 M131 I132 K137 M138 L139 Q203 H204 H351 W352	K110-E135 IonicContact NZ-OE1 3.83Å; K110-E135 PolarHBondContact NZ-OE1 2.98Å; M131-E135 WeakPolarHBondContact O-CB 3.43Å; M131-E135 PolarHBondContact O-N 2.95Å; I132-E135 PolarHBondContact O-N 3.33Å; E135-K137 PolarHBondContact O-N 3.3Å; E135-K137 VanDerWaalsContact O-N 3.12Å; E135-M138 PolarHBondContact O-N 2.75Å; E135-L139 HydrophobicContact CG-CD1 3.51Å; E135-L139 HydrophobicContact CG-CD2 4.04Å; E135-L139 HydrophobicContact CG-CG 3.53Å; E135-L139 WeakPolarHBondContact O-CG 3.49Å; E135-L139 PolarHBondContact O-N 2.83Å; E135-Q203 WeakPolarHBondContact OE2-CG 3.33Å; E135-H204 IonicContact OE2-CD2 3.14Å; E135-H204 PolarHBondContact OE2-CD2 3.09Å; E135-H204 IonicContact OE2-NE2 3.35Å; E135-H204 PolarHBondContact OE2-NE2 3.34Å; E135-H351 VanDerWaalsContact CD-NE2 3.29Å; E135-H351 WeakPolarHBondContact CG-NE2 3.25Å; E135-H351 IonicContact OE1-CE1 2.89Å; E135-H351 PolarHBondContact OE1-CE1 2.96Å; E135-H351 IonicContact OE1-NE2 4Å; E135-H351 PolarHBondContact OE1-NE2 2.63Å; E135-W352 PolarHBondContact OE1-NE1 2.89Å
136	Q	95.9	Very high	94.7	Very high	85 Å²	85	55.4 Å²	55.4	40%	0.397	28%	0.278	S	S	.	.	H	α-helix	trans	-55	-31.6	173.5	-72.8	173.6	-8.8	0	0	113.8	I132 L134 P140 V174 H204	I132-Q136 VanDerWaalsContact O-CG 3.28Å; I132-Q136 WeakPolarHBondContact O-CG 3.33Å; I132-Q136 PolarHBondContact O-N 2.74Å; L134-Q136 VanDerWaalsContact C-N 3.34Å; L134-Q136 PolarHBondContact O-N 2.82Å; Q136-P140 WeakPolarHBondContact O-CD 3.38Å; Q136-V174 HydrophobicContact CB-CG2 4.12Å; Q136-V174 HydrophobicContact CG-CG2 3.87Å; Q136-H204 WeakPolarHBondContact CG-CE1 3.34Å
137	K	94.7	Very high	95	Very high	158 Å²	158	56.9 Å²	56.9	69%	0.687	28%	0.283	S	S	*	.	H	α-helix	trans	-84	-37.2	175.4	-64.5	178.4	-178.7	179.1	0	112.1	L134 E135	L134-K137 PolarHBondContact O-N 3.49Å; L134-K137 VanDerWaalsContact O-N 3.11Å; E135-K137 PolarHBondContact O-N 3.3Å; E135-K137 VanDerWaalsContact O-N 3.12Å
138	M	93.2	Very high	95.2	Very high	4 Å²	4	57.9 Å²	57.9	2%	0.02	28%	0.283	C	S	.	.	H	α-helix	trans	-80	-38.5	-172.1	-91.5	-173.2	64.7	0	0	114.4	F112 L134 E135 E141 L142 H351	F112-M138 HydrophobicContact CE1-CE 3.24Å; F112-M138 HydrophobicContact CZ-CE 3.23Å; L134-M138 HydrophobicContact CD1-CG 4.31Å; L134-M138 HydrophobicContact CD1-SD 3.98Å; L134-M138 HydrophobicContact CD2-SD 4.39Å; L134-M138 HydrophobicContact CG-SD 3.96Å; L134-M138 PolarHBondContact O-N 2.84Å; E135-M138 PolarHBondContact O-N 2.75Å; M138-E141 WeakPolarHBondContact O-CA 3.49Å; M138-E141 WeakPolarHBondContact O-CB 3.47Å; M138-E141 PolarHBondContact O-N 2.95Å; M138-L142 HydrophobicContact CE-CD1 4.06Å; M138-L142 WeakPolarHBondContact O-CG 3.43Å; M138-L142 PolarHBondContact O-N 3.13Å; M138-H351 HydrophobicContact CE-CB 3.81Å; M138-H351 HydrophobicContact SD-CB 3.89Å
139	L	95.3	Very high	95.5	Very high	2 Å²	2	57 Å²	57	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-58.5	-42.1	-176.9	-69.2	176.3	0	0	0	112.8	K110 E135 E141 L142 Q143 N170 E172 V174	K110-L139 HydrophobicContact CB-CD2 4.13Å; K110-L139 HydrophobicContact CD-CD2 4.13Å; E135-L139 HydrophobicContact CG-CD1 3.51Å; E135-L139 HydrophobicContact CG-CD2 4.04Å; E135-L139 HydrophobicContact CG-CG 3.53Å; E135-L139 WeakPolarHBondContact O-CG 3.49Å; E135-L139 PolarHBondContact O-N 2.83Å; L139-E141 PolarHBondContact O-N 3.11Å; L139-L142 PolarHBondContact O-N 2.61Å; L139-L142 VanDerWaalsContact O-N 3.12Å; L139-Q143 VanDerWaalsContact O-CB 3.31Å; L139-Q143 WeakPolarHBondContact O-CB 3.41Å; L139-Q143 PolarHBondContact O-N 3.04Å; L139-N170 WeakPolarHBondContact CD1-ND2 3.36Å; L139-E172 VanDerWaalsContact CD1-OE1 3.32Å; L139-E172 WeakPolarHBondContact CD1-OE1 3.32Å; L139-V174 HydrophobicContact CB-CG1 4.02Å; L139-V174 HydrophobicContact CD1-CG1 4.46Å
140	P	96.4	Very high	95.7	Very high	68 Å²	68	54 Å²	54	44%	0.442	26%	0.263	S	S	.	.	H	α-helix	trans	-59.4	-32.1	173	-26.2	36.2	0	0	0	114.2	Q136 P144 V174	Q136-P140 WeakPolarHBondContact O-CD 3.38Å; P140-P144 WeakPolarHBondContact O-CD 3.19Å; P140-V174 HydrophobicContact CG-CG1 3.84Å
141	E	94.3	Very high	95.9	Very high	109 Å²	109	53.5 Å²	53.5	51%	0.509	26%	0.258	S	S	.	.	H	α-helix	trans	-72.8	-34.6	175.8	-58.8	174.8	175.7	0	0	111.9	R118 M138 L139	R118-E141 IonicContact NH1-OE2 3.64Å; M138-E141 WeakPolarHBondContact O-CA 3.49Å; M138-E141 WeakPolarHBondContact O-CB 3.47Å; M138-E141 PolarHBondContact O-N 2.95Å; L139-E141 PolarHBondContact O-N 3.11Å
142	L	94.8	Very high	96.1	Very high	11 Å²	11	56.8 Å²	56.8	6%	0.058	27%	0.272	C	S	.	.	H	α-helix	trans	-83.4	-31.9	-178.4	-65.9	177.4	0	0	0	113.2	F112 M138 L139 P144 Y145 T146	F112-L142 HydrophobicContact CD1-CD2 4.11Å; F112-L142 HydrophobicContact CE1-CD1 4.15Å; F112-L142 HydrophobicContact CE1-CD2 4.13Å; M138-L142 HydrophobicContact CE-CD1 4.06Å; M138-L142 WeakPolarHBondContact O-CG 3.43Å; M138-L142 PolarHBondContact O-N 3.13Å; L139-L142 PolarHBondContact O-N 2.61Å; L139-L142 VanDerWaalsContact O-N 3.12Å; L142-P144 VanDerWaalsContact C-CD 3.43Å; L142-P144 VanDerWaalsContact C-N 3.35Å; L142-Y145 WeakPolarHBondContact O-CA 3.46Å; L142-Y145 WeakPolarHBondContact O-CB 3.28Å; L142-Y145 PolarHBondContact O-N 2.88Å; L142-T146 PolarHBondContact O-N 2.92Å
143	Q	95.9	Very high	96.2	Very high	47 Å²	47	56.6 Å²	56.6	22%	0.22	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-54.5	-37.4	-172.4	-177.4	174.4	94.9	0	0	114.7	L139 Y145 T146 K178 N179	L139-Q143 VanDerWaalsContact O-CB 3.31Å; L139-Q143 WeakPolarHBondContact O-CB 3.41Å; L139-Q143 PolarHBondContact O-N 3.04Å; Q143-Y145 PolarHBondContact O-N 2.81Å; Q143-T146 PolarHBondContact O-N 3.06Å; Q143-T146 PolarHBondContact O-OG1 3.4Å; Q143-K178 HydrophobicContact CG-CG 3.99Å; Q143-N179 WeakPolarHBondContact CG-OD1 3.38Å; Q143-N179 PolarHBondContact NE2-OD1 3.07Å
144	P	96.7	Very high	96.4	Very high	105 Å²	105	51 Å²	51	68%	0.682	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-59.6	-23.7	173.1	-26.3	36.3	0	0	0	114.4	P140 L142	P140-P144 WeakPolarHBondContact O-CD 3.19Å; L142-P144 VanDerWaalsContact C-CD 3.43Å; L142-P144 VanDerWaalsContact C-N 3.35Å
145	Y	97	Very high	96.6	Very high	111 Å²	111	51.2 Å²	51.2	44%	0.435	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-102.4	-1.1	-176.8	-55.4	-79.8	0	0	0	113.6	L142 Q143 Q147 E148 R149	L142-Y145 WeakPolarHBondContact O-CA 3.46Å; L142-Y145 WeakPolarHBondContact O-CB 3.28Å; L142-Y145 PolarHBondContact O-N 2.88Å; Q143-Y145 PolarHBondContact O-N 2.81Å; Y145-Q147 VanDerWaalsContact C-N 3.29Å; Y145-Q147 PolarHBondContact O-N 3.3Å; Y145-E148 PolarHBondContact O-N 3.13Å; Y145-R149 WeakPolarHBondContact O-CG 3.5Å; Y145-R149 PolarHBondContact O-N 3.28Å
146	T	97.6	Very high	96.8	Very high	6 Å²	6	52.2 Å²	52.2	4%	0.037	25%	0.253	C	S	.	.	H	α-helix	trans	-52	-46.5	-175	-65	0	0	0	0	112	D109 L142 Q143 A150 N182	D109-T146 WeakPolarHBondContact O-CG2 3.31Å; D109-T146 PolarHBondContact O-OG1 3.31Å; L142-T146 PolarHBondContact O-N 2.92Å; Q143-T146 PolarHBondContact O-N 3.06Å; Q143-T146 PolarHBondContact O-OG1 3.4Å; T146-A150 WeakPolarHBondContact O-CB 3.39Å; T146-A150 PolarHBondContact O-N 2.94Å; T146-N182 HydrophobicContact CG2-CB 3.73Å
147	Q	98.4	Very high	96.9	Very high	63 Å²	63	48.1 Å²	48.1	29%	0.294	23%	0.234	S	C	.	.	H	α-helix	trans	-66.4	-49.4	-177.8	-63.9	-166.1	39.5	0	0	112.5	Y145 R149 A150 E151 N182 V186	Y145-Q147 VanDerWaalsContact C-N 3.29Å; Y145-Q147 PolarHBondContact O-N 3.3Å; Q147-R149 VanDerWaalsContact C-N 3.31Å; Q147-R149 PolarHBondContact O-N 3.4Å; Q147-A150 PolarHBondContact O-N 3.13Å; Q147-E151 WeakPolarHBondContact O-CG 3.33Å; Q147-E151 PolarHBondContact O-N 2.79Å; Q147-N182 HydrophobicContact CG-CB 3.73Å; Q147-N182 PolarHBondContact NE2-OD1 2.8Å; Q147-V186 HydrophobicContact CB-CG2 3.76Å; Q147-V186 HydrophobicContact CG-CG2 3.94Å
148	E	98.1	Very high	97.1	Very high	87 Å²	87	40.9 Å²	40.9	41%	0.407	20%	0.203	S	C	.	.	H	α-helix	trans	-58.3	-43.8	179.6	-174.8	-161.4	148.5	0	0	111.5	Y145 K152	Y145-E148 PolarHBondContact O-N 3.13Å; E148-K152 WeakPolarHBondContact O-CG 3.49Å; E148-K152 PolarHBondContact O-N 3.49Å; E148-K152 VanDerWaalsContact O-N 3.11Å; E148-K152 IonicContact OE1-NZ 3.11Å; E148-K152 PolarHBondContact OE1-NZ 3.34Å
149	R	97.7	Very high	97.3	Very high	29 Å²	29	41.8 Å²	41.8	11%	0.109	21%	0.21	C	C	.	.	H	α-helix	trans	-78.7	-34.9	-176.5	-64.6	-173.2	-170.9	179.4	5.8	112.9	T111 Y113 Y145 Q147 E151 K152 L153	T111-R149 HydrophobicContact CG2-CB 3.81Å; T111-R149 VanDerWaalsContact O-CD 3.24Å; T111-R149 WeakPolarHBondContact O-CD 3.48Å; T111-R149 PolarHBondContact O-NH1 3.42Å; Y113-R149 WeakPolarHBondContact O-CD 3.22Å; Y113-R149 WeakPolarHBondContact O-CG 3.26Å; Y145-R149 WeakPolarHBondContact O-CG 3.5Å; Y145-R149 PolarHBondContact O-N 3.28Å; Q147-R149 VanDerWaalsContact C-N 3.31Å; Q147-R149 PolarHBondContact O-N 3.4Å; R149-E151 VanDerWaalsContact C-N 3.32Å; R149-K152 PolarHBondContact O-N 3.05Å; R149-L153 VanDerWaalsContact O-CB 3.27Å; R149-L153 WeakPolarHBondContact O-CB 3.5Å; R149-L153 PolarHBondContact O-N 3.14Å
150	A	98.3	Very high	97.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.8	-42.8	170.5	0	0	0	0	0	110.9	L108 T146 Q147 L153 I154 L183 V186	L108-A150 WeakPolarHBondContact O-CB 3.46Å; T146-A150 WeakPolarHBondContact O-CB 3.39Å; T146-A150 PolarHBondContact O-N 2.94Å; Q147-A150 PolarHBondContact O-N 3.13Å; A150-L153 PolarHBondContact O-N 3.34Å; A150-I154 VanDerWaalsContact O-CG1 3.26Å; A150-I154 WeakPolarHBondContact O-CG1 3.42Å; A150-I154 PolarHBondContact O-N 3.31Å; A150-L183 HydrophobicContact CB-CD1 4.44Å; A150-V186 HydrophobicContact CB-CG1 4.19Å; A150-V186 HydrophobicContact CB-CG2 4.23Å
151	E	98.2	Very high	97.5	Very high	55 Å²	55	41.4 Å²	41.4	26%	0.257	20%	0.201	S	C	.	.	H	α-helix	trans	-60	-49.4	175.1	-76.6	175.7	-179.8	0	0	111.9	Q147 R149 L153 I154 D155 V186 R189	Q147-E151 WeakPolarHBondContact O-CG 3.33Å; Q147-E151 PolarHBondContact O-N 2.79Å; R149-E151 VanDerWaalsContact C-N 3.32Å; E151-L153 VanDerWaalsContact C-N 3.32Å; E151-L153 PolarHBondContact O-N 3.15Å; E151-I154 PolarHBondContact O-N 3.44Å; E151-D155 VanDerWaalsContact O-CG 3.28Å; E151-D155 PolarHBondContact O-N 2.78Å; E151-V186 HydrophobicContact CG-CG1 3.68Å; E151-V186 HydrophobicContact CG-CG2 4.13Å; E151-R189 IonicContact OE1-CZ 3.25Å; E151-R189 VanDerWaalsContact OE1-CZ 3.27Å; E151-R189 IonicContact OE1-NE 2.78Å; E151-R189 PolarHBondContact OE1-NE 2.82Å; E151-R189 IonicContact OE1-NH2 3.34Å; E151-R189 PolarHBondContact OE1-NH2 3.25Å
152	K	97.9	Very high	97.8	Very high	74 Å²	74	36.2 Å²	36.2	32%	0.322	18%	0.177	S	C	.	.	H	α-helix	trans	-61.8	-39.1	177.1	-72.8	175.6	175.1	170.3	0	112.3	Y113 G114 E148 R149 D155 L156	Y113-K152 HydrophobicContact CD1-CB 4.13Å; Y113-K152 HydrophobicContact CE1-CB 4Å; Y113-K152 WeakPolarHBondContact CE1-O 3.32Å; G114-K152 VanDerWaalsContact CA-CD 3.46Å; G114-K152 PolarHBondContact O-NZ 2.96Å; E148-K152 WeakPolarHBondContact O-CG 3.49Å; E148-K152 PolarHBondContact O-N 3.49Å; E148-K152 VanDerWaalsContact O-N 3.11Å; E148-K152 IonicContact OE1-NZ 3.11Å; E148-K152 PolarHBondContact OE1-NZ 3.34Å; R149-K152 PolarHBondContact O-N 3.05Å; K152-D155 WeakPolarHBondContact O-CB 3.33Å; K152-D155 PolarHBondContact O-N 2.65Å; K152-L156 PolarHBondContact O-N 3.46Å
153	L	98.1	Very high	97.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-68.6	-38.4	178.2	-177.3	50.6	0	0	0	111.4	I106 L108 T111 Y113 R149 A150 E151 D155 L156 L157 V348	I106-L153 HydrophobicContact CD1-CD1 4.47Å; I106-L153 HydrophobicContact CD1-CD2 4.22Å; I106-L153 HydrophobicContact CD1-CG 4.36Å; L108-L153 HydrophobicContact CD2-CB 4.24Å; L108-L153 HydrophobicContact CD2-CD2 3.61Å; L108-L153 HydrophobicContact CD2-CG 3.65Å; T111-L153 HydrophobicContact CG2-CD2 4.06Å; Y113-L153 HydrophobicContact CD1-CB 4.32Å; Y113-L153 HydrophobicContact CD1-CD1 4.49Å; R149-L153 VanDerWaalsContact O-CB 3.27Å; R149-L153 WeakPolarHBondContact O-CB 3.5Å; R149-L153 PolarHBondContact O-N 3.14Å; A150-L153 PolarHBondContact O-N 3.34Å; E151-L153 VanDerWaalsContact C-N 3.32Å; E151-L153 PolarHBondContact O-N 3.15Å; L153-D155 VanDerWaalsContact C-N 3.33Å; L153-D155 PolarHBondContact O-N 2.91Å; L153-L156 HydrophobicContact CD1-CB 4.42Å; L153-L156 HydrophobicContact CD1-CD2 3.9Å; L153-L156 WeakPolarHBondContact O-CB 3.35Å; L153-L156 PolarHBondContact O-N 3.46Å; L153-L157 WeakPolarHBondContact O-CG 3.49Å; L153-L157 PolarHBondContact O-N 3.21Å; L153-V348 HydrophobicContact CD1-CB 3.81Å; L153-V348 HydrophobicContact CD1-CG1 3.67Å; L153-V348 HydrophobicContact CD1-CG2 4Å; L153-V348 HydrophobicContact CD2-CB 4.41Å
154	I	98.5	Very high	98	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61.4	-42.8	171	-69.2	165.6	0	0	0	110.7	L108 A150 E151 L156 L157 Q158 V186 L187 R190 F194	L108-I154 HydrophobicContact CD1-CD1 4.42Å; L108-I154 HydrophobicContact CD1-CG1 4.21Å; L108-I154 HydrophobicContact CD2-CG1 4.46Å; A150-I154 VanDerWaalsContact O-CG1 3.26Å; A150-I154 WeakPolarHBondContact O-CG1 3.42Å; A150-I154 PolarHBondContact O-N 3.31Å; E151-I154 PolarHBondContact O-N 3.44Å; I154-L156 VanDerWaalsContact C-N 3.28Å; I154-L156 PolarHBondContact O-N 3.47Å; I154-L157 PolarHBondContact O-N 2.86Å; I154-Q158 HydrophobicContact CG2-CG 4.42Å; I154-Q158 WeakPolarHBondContact O-CG 3.41Å; I154-Q158 PolarHBondContact O-N 3.03Å; I154-V186 HydrophobicContact CD1-CG1 3.71Å; I154-L187 HydrophobicContact CD1-CD2 4.1Å; I154-R190 HydrophobicContact CD1-CG 4.16Å; I154-F194 HydrophobicContact CD1-CD1 4.13Å; I154-F194 HydrophobicContact CD1-CE1 4.13Å; I154-F194 HydrophobicContact CG1-CD1 4.17Å; I154-F194 HydrophobicContact CG1-CE1 3.87Å; I154-F194 HydrophobicContact CG1-CZ 4.18Å; I154-F194 HydrophobicContact CG2-CB 4.26Å; I154-F194 HydrophobicContact CG2-CD1 4.15Å; I154-F194 HydrophobicContact CG2-CD2 4Å; I154-F194 HydrophobicContact CG2-CE1 4.47Å; I154-F194 HydrophobicContact CG2-CE2 4.36Å; I154-F194 HydrophobicContact CG2-CG 3.89Å
155	D	97.9	Very high	98.1	Very high	61 Å²	61	31 Å²	31	33%	0.326	14%	0.144	S	C	.	.	H	α-helix	trans	-60.7	-38.8	175.4	-64.1	-32.3	0	0	0	111.4	E151 K152 L153 S159 R190	E151-D155 VanDerWaalsContact O-CG 3.28Å; E151-D155 PolarHBondContact O-N 2.78Å; K152-D155 WeakPolarHBondContact O-CB 3.33Å; K152-D155 PolarHBondContact O-N 2.65Å; L153-D155 VanDerWaalsContact C-N 3.33Å; L153-D155 PolarHBondContact O-N 2.91Å; D155-S159 WeakPolarHBondContact O-CB 3.44Å; D155-S159 PolarHBondContact O-N 3.24Å; D155-R190 IonicContact OD1-CZ 3.46Å; D155-R190 IonicContact OD1-NH1 3.42Å; D155-R190 PolarHBondContact OD1-NH1 2.78Å; D155-R190 IonicContact OD1-NH2 3.37Å; D155-R190 PolarHBondContact OD1-NH2 3.07Å; D155-R190 IonicContact OD2-NH2 3.87Å; D155-R190 PolarHBondContact OD2-NH2 3.23Å
156	L	98.1	Very high	98.2	Very high	21 Å²	21	26.1 Å²	26.1	11%	0.11	13%	0.125	C	C	.	.	H	α-helix	trans	-61.7	-50.1	172.4	177.5	68.6	0	0	0	111.1	Y113 K152 L153 I154 Q158 S159 K160 V348	Y113-L156 HydrophobicContact CD2-CD2 4.1Å; Y113-L156 HydrophobicContact CE1-CB 3.87Å; Y113-L156 HydrophobicContact CE1-CD2 4.25Å; Y113-L156 HydrophobicContact CE2-CD1 4.39Å; Y113-L156 HydrophobicContact CE2-CD2 3.81Å; Y113-L156 HydrophobicContact CE2-CG 4.5Å; Y113-L156 HydrophobicContact CG-CD2 4.45Å; K152-L156 PolarHBondContact O-N 3.46Å; L153-L156 HydrophobicContact CD1-CB 4.42Å; L153-L156 HydrophobicContact CD1-CD2 3.9Å; L153-L156 WeakPolarHBondContact O-CB 3.35Å; L153-L156 PolarHBondContact O-N 3.46Å; I154-L156 VanDerWaalsContact C-N 3.28Å; I154-L156 PolarHBondContact O-N 3.47Å; L156-Q158 VanDerWaalsContact C-N 3.32Å; L156-Q158 PolarHBondContact O-N 2.87Å; L156-S159 WeakPolarHBondContact O-CA 2.97Å; L156-S159 WeakPolarHBondContact O-CB 3.44Å; L156-S159 PolarHBondContact O-N 3.16Å; L156-S159 VanDerWaalsContact O-N 3.09Å; L156-S159 PolarHBondContact O-OG 3.44Å; L156-K160 WeakPolarHBondContact O-CG 2.93Å; L156-K160 PolarHBondContact O-N 2.87Å; L156-K160 VanDerWaalsContact O-N 3.14Å; L156-V348 HydrophobicContact CD2-CG1 3.76Å
157	L	98.5	Very high	98.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-57.1	-45.9	178.6	-68.5	-175.2	0	0	0	111.7	I106 L108 L153 I154 S159 K160 G161 T162 F194 G358	I106-L157 HydrophobicContact CD1-CD1 3.9Å; I106-L157 HydrophobicContact CD1-CD2 3.89Å; I106-L157 HydrophobicContact CD1-CG 4.29Å; L108-L157 HydrophobicContact CD2-CD1 4.34Å; L153-L157 WeakPolarHBondContact O-CG 3.49Å; L153-L157 PolarHBondContact O-N 3.21Å; I154-L157 PolarHBondContact O-N 2.86Å; L157-S159 VanDerWaalsContact C-N 3.3Å; L157-S159 PolarHBondContact O-N 3.29Å; L157-K160 CarbonylContact O-C 3.57Å; L157-K160 WeakPolarHBondContact O-CA 3.39Å; L157-K160 PolarHBondContact O-N 3.26Å; L157-G161 PolarHBondContact O-N 2.96Å; L157-T162 CarbonylContact C-O 3.56Å; L157-T162 HydrophobicContact CB-CG2 4.21Å; L157-T162 HydrophobicContact CD1-CG2 4.4Å; L157-T162 WeakPolarHBondContact O-CB 3.28Å; L157-T162 PolarHBondContact O-N 3.19Å; L157-F194 HydrophobicContact CB-CE2 4.46Å; L157-F194 HydrophobicContact CD1-CE2 4Å; L157-F194 HydrophobicContact CD1-CZ 3.78Å; L157-G358 WeakPolarHBondContact CD2-O 3.33Å
158	Q	98.4	Very high	98.3	Very high	6 Å²	6	22.9 Å²	22.9	3%	0.028	11%	0.109	C	C	.	.	H	α-helix	trans	-64.5	-35.9	177.3	-70	177.4	-36.7	0	0	111.5	I154 L156 K160 G161 T162 G193 F194 T431 V438 W439	I154-Q158 HydrophobicContact CG2-CG 4.42Å; I154-Q158 WeakPolarHBondContact O-CG 3.41Å; I154-Q158 PolarHBondContact O-N 3.03Å; L156-Q158 VanDerWaalsContact C-N 3.32Å; L156-Q158 PolarHBondContact O-N 2.87Å; Q158-K160 PolarHBondContact O-N 2.92Å; Q158-G161 PolarHBondContact O-N 3.06Å; Q158-G161 VanDerWaalsContact O-N 3.14Å; Q158-T162 WeakPolarHBondContact CA-O 3.28Å; Q158-G193 PolarHBondContact NE2-O 3.33Å; Q158-F194 HydrophobicContact CG-CD2 4.44Å; Q158-T431 VanDerWaalsContact O-CB 3.31Å; Q158-T431 WeakPolarHBondContact O-CB 3.49Å; Q158-T431 PolarHBondContact O-OG1 3.27Å; Q158-V438 HydrophobicContact CB-CG2 4.4Å; Q158-V438 HydrophobicContact CG-CG2 4.17Å; Q158-W439 HydrophobicContact CB-CB 3.92Å
159	S	97.9	Very high	98.3	Very high	22 Å²	22	18.7 Å²	18.7	15%	0.154	9%	0.09	C	C	.	.	H	α-helix	trans	-61.8	-21.9	171.2	85.1	0	0	0	0	114.2	D155 L156 L157 W439	D155-S159 WeakPolarHBondContact O-CB 3.44Å; D155-S159 PolarHBondContact O-N 3.24Å; L156-S159 WeakPolarHBondContact O-CA 2.97Å; L156-S159 WeakPolarHBondContact O-CB 3.44Å; L156-S159 PolarHBondContact O-N 3.16Å; L156-S159 VanDerWaalsContact O-N 3.09Å; L156-S159 PolarHBondContact O-OG 3.44Å; L157-S159 VanDerWaalsContact C-N 3.3Å; L157-S159 PolarHBondContact O-N 3.29Å; S159-W439 VanDerWaalsContact CA-CD2 3.4Å; S159-W439 VanDerWaalsContact CA-CE2 3.49Å; S159-W439 VanDerWaalsContact CB-NE1 3.28Å
160	K	98.2	Very high	98.4	Very high	63 Å²	63	17.3 Å²	17.3	27%	0.274	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	0.9	179.4	-60.4	-55	-178.6	176.3	0	113.6	L156 L157 Q158 G358 D359 R428	L156-K160 WeakPolarHBondContact O-CG 2.93Å; L156-K160 PolarHBondContact O-N 2.87Å; L156-K160 VanDerWaalsContact O-N 3.14Å; L157-K160 CarbonylContact O-C 3.57Å; L157-K160 WeakPolarHBondContact O-CA 3.39Å; L157-K160 PolarHBondContact O-N 3.26Å; Q158-K160 PolarHBondContact O-N 2.92Å; K160-G358 VanDerWaalsContact CB-O 3.26Å; K160-G358 WeakPolarHBondContact CB-O 3.38Å; K160-G358 WeakPolarHBondContact CG-O 3.41Å; K160-D359 HydrophobicContact CB-CB 4.38Å; K160-D359 HydrophobicContact CD-CB 4.24Å; K160-D359 HydrophobicContact CG-CB 4.16Å; K160-R428 PolarHBondContact O-NE 2.7Å; K160-R428 PolarHBondContact O-NH2 2.78Å
161	G	98.2	Very high	98.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.7	-0.4	178	0	0	0	0	0	115.4	T100 T101 L157 Q158 T431	T100-G161 PolarHBondContact OG1-O 3.48Å; T101-G161 PolarHBondContact N-O 2.89Å; T101-G161 PolarHBondContact OG1-O 3.42Å; L157-G161 PolarHBondContact O-N 2.96Å; Q158-G161 PolarHBondContact O-N 3.06Å; Q158-G161 VanDerWaalsContact O-N 3.14Å; G161-T431 WeakPolarHBondContact CA-OG1 3.48Å
162	T	98.7	Very high	98.4	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	125.2	-174.2	-64.5	0	0	0	0	110.9	T101 D103 L157 Q158 I164	T101-T162 VanDerWaalsContact O-CA 3.31Å; T101-T162 WeakPolarHBondContact O-CA 3.32Å; T101-T162 VanDerWaalsContact OG1-CA 3.23Å; T101-T162 WeakPolarHBondContact OG1-CA 3.34Å; T101-T162 PolarHBondContact OG1-N 2.89Å; T101-T162 VanDerWaalsContact OG1-N 3.15Å; T101-T162 PolarHBondContact OG1-OG1 3.17Å; D103-T162 HydrophobicContact CB-CG2 4.03Å; L157-T162 CarbonylContact C-O 3.56Å; L157-T162 HydrophobicContact CB-CG2 4.21Å; L157-T162 HydrophobicContact CD1-CG2 4.4Å; L157-T162 WeakPolarHBondContact O-CB 3.28Å; L157-T162 PolarHBondContact O-N 3.19Å; Q158-T162 WeakPolarHBondContact CA-O 3.28Å; T162-I164 VanDerWaalsContact CG2-O 3.26Å; T162-I164 WeakPolarHBondContact CG2-O 3.44Å
163	T	98.4	Very high	98.4	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	-1.6	174.8	68	0	0	0	0	113.8	T100 T101 F194 E195 T431 H433 V438	T100-T163 WeakPolarHBondContact CG2-OG1 3.5Å; T100-T163 WeakPolarHBondContact OG1-CB 3.26Å; T100-T163 WeakPolarHBondContact OG1-CG2 3.18Å; T100-T163 PolarHBondContact OG1-N 2.84Å; T100-T163 PolarHBondContact OG1-OG1 3.49Å; T101-T163 PolarHBondContact O-N 3.43Å; T163-F194 WeakPolarHBondContact O-CA 3.15Å; T163-E195 PolarHBondContact O-N 3Å; T163-T431 HydrophobicContact CG2-CG2 3.45Å; T163-T431 VanDerWaalsContact CG2-CG2 3.45Å; T163-H433 WeakPolarHBondContact CB-ND1 3.45Å; T163-H433 HydrophobicContact CG2-CB 3.94Å; T163-H433 PolarHBondContact OG1-ND1 2.93Å; T163-H433 VanDerWaalsContact OG1-ND1 3.12Å; T163-V438 HydrophobicContact CG2-CG2 4.02Å
164	I	98.6	Very high	98.4	Very high	51 Å²	51	17.4 Å²	17.4	26%	0.262	10%	0.096	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	134	178.7	-58.7	170.5	0	0	0	107.7	T100 R102 D103 T162 E195	T100-I164 HydrophobicContact CG2-CD1 4.2Å; R102-I164 CarbonylContact C-O 3.57Å; R102-I164 WeakPolarHBondContact CA-O 3.46Å; R102-I164 HydrophobicContact CB-CB 3.8Å; R102-I164 HydrophobicContact CB-CG2 4.05Å; D103-I164 PolarHBondContact N-O 3.33Å; T162-I164 VanDerWaalsContact CG2-O 3.26Å; T162-I164 WeakPolarHBondContact CG2-O 3.44Å; I164-E195 CarbonylContact C-O 3.47Å; I164-E195 VanDerWaalsContact CA-O 3.29Å; I164-E195 WeakPolarHBondContact CA-O 3.34Å; I164-E195 HydrophobicContact CG1-CB 4.39Å
165	A	98.7	Very high	98.3	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.008	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	165.3	174.4	0	0	0	0	0	113.5	D103 I106 F194 E195 C196 E197	D103-A165 HydrophobicContact CB-CB 4.44Å; D103-A165 CarbonylContact O-C 3.59Å; D103-A165 WeakPolarHBondContact O-CA 3.11Å; D103-A165 WeakPolarHBondContact O-CB 3.1Å; I106-A165 HydrophobicContact CG2-CB 4.23Å; A165-F194 HydrophobicContact CB-CE1 4.12Å; A165-F194 HydrophobicContact CB-CE2 4.27Å; A165-F194 HydrophobicContact CB-CZ 3.47Å; A165-F194 VanDerWaalsContact CB-CZ 3.47Å; A165-E195 PolarHBondContact N-O 3.4Å; A165-C196 VanDerWaalsContact O-CA 3.26Å; A165-C196 WeakPolarHBondContact O-CA 3.48Å; A165-E197 PolarHBondContact O-N 3.35Å
166	R	98.8	Very high	98.3	Very high	10 Å²	10	15.6 Å²	15.6	4%	0.038	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	108.8	164.1	176.2	-176.9	-62	-174.3	-1.7	108.6	D103 M104 I106 E197 V199 Y225 D257 T289	D103-R166 PolarHBondContact O-N 2.99Å; M104-R166 HydrophobicContact CE-CB 3.88Å; I106-R166 PolarHBondContact N-O 3.5Å; I106-R166 VanDerWaalsContact N-O 3.09Å; R166-E197 CarbonylContact C-O 3.57Å; R166-E197 WeakPolarHBondContact CA-O 3.47Å; R166-E197 HydrophobicContact CB-CB 4.36Å; R166-E197 HydrophobicContact CG-CB 4.26Å; R166-E197 IonicContact CZ-OE2 3.74Å; R166-E197 IonicContact NE-OE2 2.59Å; R166-E197 PolarHBondContact NE-OE2 2.67Å; R166-E197 IonicContact NH2-OE2 2.78Å; R166-E197 PolarHBondContact NH2-OE2 3.13Å; R166-V199 HydrophobicContact CG-CG2 3.65Å; R166-Y225 PolarHBondContact NH2-OH 3.2Å; R166-D257 WeakPolarHBondContact CD-OD2 3.49Å; R166-D257 IonicContact CZ-OD2 3.46Å; R166-D257 IonicContact NE-OD2 3.42Å; R166-D257 IonicContact NH1-OD2 3.93Å; R166-D257 PolarHBondContact NH1-OD2 2.92Å; R166-T289 PolarHBondContact NH1-OG1 2.85Å; R166-T289 VanDerWaalsContact NH1-OG1 3.13Å
167	S	98.8	Very high	98.4	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	128.1	-178.7	-172.9	0	0	0	0	111.6	I106 L108 E197 I198 V199	I106-S167 CarbonylContact O-C 3.58Å; I106-S167 WeakPolarHBondContact O-CA 3.37Å; L108-S167 WeakPolarHBondContact CB-OG 3.21Å; L108-S167 PolarHBondContact N-OG 2.84Å; S167-E197 PolarHBondContact N-O 3.46Å; S167-I198 CarbonylContact O-C 3.38Å; S167-I198 WeakPolarHBondContact O-CA 3.32Å; S167-V199 PolarHBondContact O-N 3.25Å
168	H	98.8	Very high	98.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	108.4	170.7	-67.1	-107.9	0	0	0	109.4	H105 I106 H107 D109 V199 F201 D257 H259	H105-H168 AromaticContact CE1-CE1 3.89Å; H105-H168 AromaticContact CE1-NE2 3.7Å; H105-H168 AromaticContact CG-NE2 3.74Å; H105-H168 AromaticContact ND1-CD2 3.83Å; H105-H168 AromaticContact ND1-CE1 3.71Å; H105-H168 AromaticContact ND1-NE2 3.19Å; H105-H168 PolarHBondContact ND1-NE2 3.37Å; H105-H168 VanDerWaalsContact ND1-NE2 3.19Å; I106-H168 PolarHBondContact O-N 2.78Å; H107-H168 WeakPolarHBondContact CE1-CB 3.47Å; H107-H168 PolarHBondContact ND1-O 3.5Å; D109-H168 VanDerWaalsContact OD1-O 3.06Å; H168-V199 HydrophobicContact CB-CB 4.39Å; H168-F201 HydrophobicContact CB-CB 4.24Å; H168-F201 HydrophobicContact CB-CD1 4.11Å; H168-F201 HydrophobicContact CB-CG 4.36Å; H168-D257 VanDerWaalsContact CE1-CG 3.43Å; H168-D257 IonicContact CE1-OD1 2.67Å; H168-D257 PolarHBondContact CE1-OD1 3.37Å; H168-D257 IonicContact CE1-OD2 3.91Å; H168-D257 IonicContact NE2-OD1 2.89Å; H168-D257 IonicContact NE2-OD2 2.77Å; H168-H259 AromaticContact CE1-CE1 3.61Å; H168-H259 AromaticContact CE1-ND1 3.96Å; H168-H259 AromaticContact CG-CE1 3.65Å; H168-H259 AromaticContact ND1-CE1 3.23Å; H168-H259 PolarHBondContact ND1-CE1 2.83Å; H168-H259 AromaticContact ND1-ND1 3.76Å
169	C	98.7	Very high	98.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	127.5	-175.3	-178.7	0	0	0	0	110.3	D109 I171 L180 L183 I198 V199 F201	D109-C169 HydrophobicContact CB-CB 4.31Å; C169-I171 PolarHBondContact O-N 2.56Å; C169-L180 VanDerWaalsContact SG-CA 3.57Å; C169-L180 PolarHBondContact SG-N 3.41Å; C169-L180 VanDerWaalsContact SG-N 3.42Å; C169-L183 HydrophobicContact CB-CD2 4.06Å; C169-I198 HydrophobicContact CB-CG2 3.8Å; C169-V199 PolarHBondContact N-O 3.01Å; C169-F201 WeakPolarHBondContact O-CB 3.47Å; C169-F201 PolarHBondContact O-N 3.31Å
170	N	98.4	Very high	98.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	126.2	178.5	-87.5	43	0	0	0	112.4	D109 K110 L139 E172 F201 Q203	D109-N170 WeakPolarHBondContact OD2-CB 3.46Å; D109-N170 PolarHBondContact OD2-N 2.89Å; K110-N170 WeakPolarHBondContact CE-OD1 3.4Å; K110-N170 PolarHBondContact NZ-OD1 3.37Å; L139-N170 WeakPolarHBondContact CD1-ND2 3.36Å; N170-E172 WeakPolarHBondContact CA-OE2 3.44Å; N170-E172 WeakPolarHBondContact CB-OE2 3.46Å; N170-E172 PolarHBondContact ND2-OE1 3.2Å; N170-E172 PolarHBondContact ND2-OE2 3.48Å; N170-F201 CarbonylContact C-O 3.49Å; N170-F201 VanDerWaalsContact CA-O 3.32Å; N170-F201 WeakPolarHBondContact CA-O 3.43Å; N170-Q203 WeakPolarHBondContact ND2-CB 3.47Å
171	I	98.6	Very high	98.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.115	C	C	.	.			trans	-131.9	92.7	175.1	-56.2	-64.7	0	0	0	108.9	C169 L177 L180 A200 F201 P202 S211 L214 M215 A218	C169-I171 PolarHBondContact O-N 2.56Å; I171-L177 HydrophobicContact CD1-CD2 4.21Å; I171-L180 HydrophobicContact CD1-CB 3.88Å; I171-L180 HydrophobicContact CD1-CD2 4.16Å; I171-A200 HydrophobicContact CG1-CB 3.82Å; I171-F201 PolarHBondContact N-O 2.86Å; I171-P202 WeakPolarHBondContact O-CA 3.49Å; I171-S211 PolarHBondContact O-OG 3.43Å; I171-S211 VanDerWaalsContact O-OG 3.13Å; I171-L214 HydrophobicContact CG2-CB 3.72Å; I171-M215 HydrophobicContact CB-SD 3.75Å; I171-M215 HydrophobicContact CG2-CG 4.28Å; I171-M215 HydrophobicContact CG2-SD 3.8Å; I171-A218 HydrophobicContact CD1-CB 3.94Å; I171-A218 HydrophobicContact CG1-CB 4.03Å; I171-A218 HydrophobicContact CG2-CB 4.16Å
172	E	97.9	Very high	98.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.118	C	C	.	.	S	Bend	trans	-156.7	168.3	178.5	72	-70.1	146.9	0	0	110.7	L139 N170 V174 S175 G176 H204 S211	L139-E172 VanDerWaalsContact CD1-OE1 3.32Å; L139-E172 WeakPolarHBondContact CD1-OE1 3.32Å; N170-E172 WeakPolarHBondContact CA-OE2 3.44Å; N170-E172 WeakPolarHBondContact CB-OE2 3.46Å; N170-E172 PolarHBondContact ND2-OE1 3.2Å; N170-E172 PolarHBondContact ND2-OE2 3.48Å; E172-V174 PolarHBondContact O-N 3.35Å; E172-S175 PolarHBondContact O-N 2.95Å; E172-S175 VanDerWaalsContact OE1-CB 3.27Å; E172-S175 WeakPolarHBondContact OE1-CB 3.27Å; E172-S175 PolarHBondContact OE1-OG 2.98Å; E172-G176 PolarHBondContact O-N 3.09Å; E172-H204 HydrophobicContact CB-CB 4.27Å; E172-H204 HydrophobicContact CG-CB 4.06Å; E172-H204 VanDerWaalsContact CG-ND1 3.28Å; E172-H204 WeakPolarHBondContact CG-ND1 3.44Å; E172-S211 VanDerWaalsContact CA-OG 3.29Å; E172-S211 WeakPolarHBondContact CA-OG 3.49Å; E172-S211 WeakPolarHBondContact CB-OG 3.16Å
173	P	98.3	Very high	98.4	Very high	81 Å²	81	21.9 Å²	21.9	53%	0.526	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-24.5	-171.2	-30.1	36.1	0	0	0	116.1	S209	P173-S209 WeakPolarHBondContact CG-O 3.41Å
174	V	98	Very high	98.4	Very high	49 Å²	49	24.5 Å²	24.5	30%	0.297	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-47.5	177.4	176.3	0	0	0	0	111.7	Q136 L139 P140 E172	Q136-V174 HydrophobicContact CB-CG2 4.12Å; Q136-V174 HydrophobicContact CG-CG2 3.87Å; L139-V174 HydrophobicContact CB-CG1 4.02Å; L139-V174 HydrophobicContact CD1-CG1 4.46Å; P140-V174 HydrophobicContact CG-CG1 3.84Å; E172-V174 PolarHBondContact O-N 3.35Å
175	S	97.5	Very high	98.4	Very high	5 Å²	5	23.8 Å²	23.8	4%	0.035	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-28	178.8	-60.9	0	0	0	0	113.1	E172 L177 K178	E172-S175 PolarHBondContact O-N 2.95Å; E172-S175 VanDerWaalsContact OE1-CB 3.27Å; E172-S175 WeakPolarHBondContact OE1-CB 3.27Å; E172-S175 PolarHBondContact OE1-OG 2.98Å; S175-L177 PolarHBondContact O-N 2.83Å; S175-K178 PolarHBondContact O-N 3.25Å; S175-K178 VanDerWaalsContact O-N 3.11Å
176	G	97.9	Very high	98.4	Very high	18 Å²	18	23.7 Å²	23.7	19%	0.186	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	-130.1	-166.1	0	0	0	0	0	110.4	E172	E172-G176 PolarHBondContact O-N 3.09Å
177	L	98.4	Very high	98.4	Very high	31 Å²	31	24.1 Å²	24.1	16%	0.162	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	3.4	171.6	-58.7	175.8	0	0	0	112.8	I171 S175 N179 L180 Q181 L214 E217 A218	I171-L177 HydrophobicContact CD1-CD2 4.21Å; S175-L177 PolarHBondContact O-N 2.83Å; L177-N179 PolarHBondContact O-N 3.44Å; L177-L180 HydrophobicContact CD2-CD2 4.45Å; L177-L180 WeakPolarHBondContact O-CB 3.41Å; L177-L180 PolarHBondContact O-N 3.2Å; L177-Q181 VanDerWaalsContact O-CG 3.29Å; L177-Q181 WeakPolarHBondContact O-CG 3.38Å; L177-Q181 PolarHBondContact O-N 2.82Å; L177-L214 HydrophobicContact CG-CD2 4.45Å; L177-E217 HydrophobicContact CD1-CB 3.82Å; L177-E217 HydrophobicContact CD2-CB 4.24Å; L177-A218 HydrophobicContact CD2-CB 3.99Å
178	K	98.2	Very high	98.3	Very high	98 Å²	98	27.5 Å²	27.5	43%	0.426	16%	0.162	S	C	.	.	H	α-helix	trans	-69.2	-39.2	-167.9	-175.4	62	177	-178.8	0	112.2	Q143 S175 Q181 N182	Q143-K178 HydrophobicContact CG-CG 3.99Å; S175-K178 PolarHBondContact O-N 3.25Å; S175-K178 VanDerWaalsContact O-N 3.11Å; K178-Q181 PolarHBondContact O-N 3.2Å; K178-N182 WeakPolarHBondContact O-CB 3.28Å; K178-N182 VanDerWaalsContact O-CG 3.31Å; K178-N182 PolarHBondContact O-N 3.34Å; K178-N182 PolarHBondContact O-ND2 2.92Å
179	N	97.7	Very high	98.3	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-61.7	-44.5	174.2	-77.9	22.7	0	0	0	111.2	D109 Q143 L177 N182 L183	D109-N179 HydrophobicContact CB-CB 4.21Å; D109-N179 PolarHBondContact OD2-ND2 3.36Å; Q143-N179 WeakPolarHBondContact CG-OD1 3.38Å; Q143-N179 PolarHBondContact NE2-OD1 3.07Å; L177-N179 PolarHBondContact O-N 3.44Å; N179-N182 PolarHBondContact O-N 3.24Å; N179-L183 WeakPolarHBondContact O-CB 3.45Å; N179-L183 PolarHBondContact O-N 3.38Å
180	L	98.7	Very high	98.2	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-59.2	-49.3	175.6	177	63.2	0	0	0	111.8	C169 I171 L177 N182 L183 Q184 I198 A218 A221	C169-L180 VanDerWaalsContact SG-CA 3.57Å; C169-L180 PolarHBondContact SG-N 3.41Å; C169-L180 VanDerWaalsContact SG-N 3.42Å; I171-L180 HydrophobicContact CD1-CB 3.88Å; I171-L180 HydrophobicContact CD1-CD2 4.16Å; L177-L180 HydrophobicContact CD2-CD2 4.45Å; L177-L180 WeakPolarHBondContact O-CB 3.41Å; L177-L180 PolarHBondContact O-N 3.2Å; L180-N182 VanDerWaalsContact C-N 3.33Å; L180-N182 PolarHBondContact O-N 2.76Å; L180-L183 PolarHBondContact O-N 3.14Å; L180-Q184 HydrophobicContact CD1-CG 4.04Å; L180-Q184 HydrophobicContact CG-CG 4.38Å; L180-Q184 WeakPolarHBondContact O-CB 2.84Å; L180-Q184 VanDerWaalsContact O-CG 3.28Å; L180-Q184 WeakPolarHBondContact O-CG 3.41Å; L180-Q184 PolarHBondContact O-N 2.8Å; L180-I198 HydrophobicContact CD1-CD1 3.93Å; L180-I198 HydrophobicContact CD1-CG2 3.8Å; L180-A218 HydrophobicContact CD2-CB 3.77Å; L180-A221 HydrophobicContact CD2-CB 4.05Å
181	Q	98.6	Very high	98	Very high	100 Å²	100	43.5 Å²	43.5	47%	0.467	23%	0.229	S	C	.	.	H	α-helix	trans	-59.7	-43.8	178.2	-70.2	166	-4.7	0	0	111.9	L177 K178 A185	L177-Q181 VanDerWaalsContact O-CG 3.29Å; L177-Q181 WeakPolarHBondContact O-CG 3.38Å; L177-Q181 PolarHBondContact O-N 2.82Å; K178-Q181 PolarHBondContact O-N 3.2Å; Q181-A185 WeakPolarHBondContact O-CB 3.29Å; Q181-A185 PolarHBondContact O-N 3.37Å
182	N	98.5	Very high	97.7	Very high	13 Å²	13	46.7 Å²	46.7	7%	0.07	26%	0.256	C	S	.	.	H	α-helix	trans	-62.5	-46.5	176.8	-78.8	-21.8	0	0	0	111.2	T146 Q147 K178 N179 L180 A185 V186	T146-N182 HydrophobicContact CG2-CB 3.73Å; Q147-N182 HydrophobicContact CG-CB 3.73Å; Q147-N182 PolarHBondContact NE2-OD1 2.8Å; K178-N182 WeakPolarHBondContact O-CB 3.28Å; K178-N182 VanDerWaalsContact O-CG 3.31Å; K178-N182 PolarHBondContact O-N 3.34Å; K178-N182 PolarHBondContact O-ND2 2.92Å; N179-N182 PolarHBondContact O-N 3.24Å; L180-N182 VanDerWaalsContact C-N 3.33Å; L180-N182 PolarHBondContact O-N 2.76Å; N182-A185 PolarHBondContact O-N 3.48Å; N182-V186 WeakPolarHBondContact O-CG2 3.2Å; N182-V186 PolarHBondContact O-N 3.42Å; N182-V186 VanDerWaalsContact O-N 3.15Å
183	L	98.6	Very high	97.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.6	-45.8	178.4	179.2	58.4	0	0	0	111.3	L108 D109 A150 C169 N179 L180 A185 V186 L187 I198	L108-L183 HydrophobicContact CB-CD1 3.66Å; L108-L183 HydrophobicContact CD1-CD1 4.18Å; D109-L183 HydrophobicContact CB-CD2 4.5Å; A150-L183 HydrophobicContact CB-CD1 4.44Å; C169-L183 HydrophobicContact CB-CD2 4.06Å; N179-L183 WeakPolarHBondContact O-CB 3.45Å; N179-L183 PolarHBondContact O-N 3.38Å; L180-L183 PolarHBondContact O-N 3.14Å; L183-A185 VanDerWaalsContact C-N 3.3Å; L183-A185 PolarHBondContact O-N 2.93Å; L183-V186 WeakPolarHBondContact O-CB 3.45Å; L183-V186 PolarHBondContact O-N 3.27Å; L183-V186 VanDerWaalsContact O-N 3.13Å; L183-L187 HydrophobicContact CD1-CD1 4.13Å; L183-L187 HydrophobicContact CD1-CG 4.07Å; L183-L187 HydrophobicContact CG-CD1 3.96Å; L183-L187 HydrophobicContact CG-CG 4.32Å; L183-L187 WeakPolarHBondContact O-CG 3.49Å; L183-L187 PolarHBondContact O-N 2.84Å; L183-I198 HydrophobicContact CD2-CD1 4.24Å; L183-I198 HydrophobicContact CD2-CG1 4.31Å; L183-I198 HydrophobicContact CD2-CG2 4.42Å; L183-I198 HydrophobicContact CG-CD1 4.37Å
184	Q	98.7	Very high	97.6	Very high	56 Å²	56	43.4 Å²	43.4	26%	0.262	24%	0.235	S	C	.	.	H	α-helix	trans	-59.4	-40	176.1	-74.5	177	-39.7	0	0	112.2	L180 V186 L187 A188 I198 A221	L180-Q184 HydrophobicContact CD1-CG 4.04Å; L180-Q184 HydrophobicContact CG-CG 4.38Å; L180-Q184 WeakPolarHBondContact O-CB 2.84Å; L180-Q184 VanDerWaalsContact O-CG 3.28Å; L180-Q184 WeakPolarHBondContact O-CG 3.41Å; L180-Q184 PolarHBondContact O-N 2.8Å; Q184-V186 VanDerWaalsContact C-N 3.33Å; Q184-V186 PolarHBondContact O-N 3.34Å; Q184-L187 PolarHBondContact O-N 3.39Å; Q184-A188 WeakPolarHBondContact O-CB 3.29Å; Q184-A188 PolarHBondContact O-N 3.42Å; Q184-I198 HydrophobicContact CG-CD1 3.74Å; Q184-A221 PolarHBondContact NE2-O 2.89Å
185	A	98.5	Very high	97.6	Very high	35 Å²	35	44.6 Å²	44.6	29%	0.289	24%	0.237	S	C	.	.	H	α-helix	trans	-62.6	-39.7	175.9	0	0	0	0	0	112.1	Q181 N182 L183 R189	Q181-A185 WeakPolarHBondContact O-CB 3.29Å; Q181-A185 PolarHBondContact O-N 3.37Å; N182-A185 PolarHBondContact O-N 3.48Å; L183-A185 VanDerWaalsContact C-N 3.3Å; L183-A185 PolarHBondContact O-N 2.93Å; A185-R189 VanDerWaalsContact C-NH1 3.3Å; A185-R189 WeakPolarHBondContact O-CG 3.26Å; A185-R189 PolarHBondContact O-N 2.61Å; A185-R189 PolarHBondContact O-NH1 3.12Å
186	V	98.6	Very high	97.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-65.8	-49	174.5	172.1	0	0	0	0	110.9	Q147 A150 E151 I154 N182 L183 Q184 A188 R189 R190	Q147-V186 HydrophobicContact CB-CG2 3.76Å; Q147-V186 HydrophobicContact CG-CG2 3.94Å; A150-V186 HydrophobicContact CB-CG1 4.19Å; A150-V186 HydrophobicContact CB-CG2 4.23Å; E151-V186 HydrophobicContact CG-CG1 3.68Å; E151-V186 HydrophobicContact CG-CG2 4.13Å; I154-V186 HydrophobicContact CD1-CG1 3.71Å; N182-V186 WeakPolarHBondContact O-CG2 3.2Å; N182-V186 PolarHBondContact O-N 3.42Å; N182-V186 VanDerWaalsContact O-N 3.15Å; L183-V186 WeakPolarHBondContact O-CB 3.45Å; L183-V186 PolarHBondContact O-N 3.27Å; L183-V186 VanDerWaalsContact O-N 3.13Å; Q184-V186 VanDerWaalsContact C-N 3.33Å; Q184-V186 PolarHBondContact O-N 3.34Å; V186-A188 VanDerWaalsContact C-N 3.31Å; V186-A188 PolarHBondContact O-N 2.95Å; V186-R189 WeakPolarHBondContact O-CB 3.3Å; V186-R189 PolarHBondContact O-N 3.47Å; V186-R190 HydrophobicContact CG1-CG 4.26Å; V186-R190 WeakPolarHBondContact O-CG 3.45Å; V186-R190 PolarHBondContact O-N 3.11Å
187	L	98.5	Very high	97.7	Very high	19 Å²	19	47.3 Å²	47.3	10%	0.099	25%	0.247	C	C	.	.	H	α-helix	trans	-63	-36.8	-178.7	-67	177.1	0	0	0	112.1	I154 L183 Q184 R189 R190 Q191 F194 C196 I198	I154-L187 HydrophobicContact CD1-CD2 4.1Å; L183-L187 HydrophobicContact CD1-CD1 4.13Å; L183-L187 HydrophobicContact CD1-CG 4.07Å; L183-L187 HydrophobicContact CG-CD1 3.96Å; L183-L187 HydrophobicContact CG-CG 4.32Å; L183-L187 WeakPolarHBondContact O-CG 3.49Å; L183-L187 PolarHBondContact O-N 2.84Å; Q184-L187 PolarHBondContact O-N 3.39Å; L187-R189 VanDerWaalsContact C-N 3.3Å; L187-R189 PolarHBondContact O-N 3.03Å; L187-R190 CarbonylContact O-C 3.59Å; L187-R190 PolarHBondContact O-N 2.99Å; L187-R190 VanDerWaalsContact O-N 3.13Å; L187-Q191 WeakPolarHBondContact O-CA 3.4Å; L187-Q191 PolarHBondContact O-N 2.78Å; L187-F194 HydrophobicContact CD2-CD1 3.98Å; L187-F194 HydrophobicContact CD2-CE1 4.09Å; L187-C196 HydrophobicContact CD1-CB 3.8Å; L187-C196 HydrophobicContact CD2-CB 3.43Å; L187-C196 VanDerWaalsContact CD2-CB 3.43Å; L187-C196 HydrophobicContact CG-CB 4.23Å; L187-I198 HydrophobicContact CD1-CD1 3.76Å; L187-I198 HydrophobicContact CD1-CG1 3.88Å
188	A	98.2	Very high	97.7	Very high	70 Å²	70	46 Å²	46	58%	0.579	24%	0.24	S	C	*	.	H	α-helix	trans	-60.5	-38	172.9	0	0	0	0	0	112.5	Q184 V186	Q184-A188 WeakPolarHBondContact O-CB 3.29Å; Q184-A188 PolarHBondContact O-N 3.42Å; V186-A188 VanDerWaalsContact C-N 3.31Å; V186-A188 PolarHBondContact O-N 2.95Å
189	R	97.7	Very high	97.8	Very high	125 Å²	125	41.3 Å²	41.3	47%	0.472	22%	0.22	S	C	.	.	H	α-helix	trans	-72.2	-28.9	174.7	-67.7	-173.3	-64.7	-88.6	15.7	113	E151 A185 V186 L187	E151-R189 IonicContact OE1-CZ 3.25Å; E151-R189 VanDerWaalsContact OE1-CZ 3.27Å; E151-R189 IonicContact OE1-NE 2.78Å; E151-R189 PolarHBondContact OE1-NE 2.82Å; E151-R189 IonicContact OE1-NH2 3.34Å; E151-R189 PolarHBondContact OE1-NH2 3.25Å; A185-R189 VanDerWaalsContact C-NH1 3.3Å; A185-R189 WeakPolarHBondContact O-CG 3.26Å; A185-R189 PolarHBondContact O-N 2.61Å; A185-R189 PolarHBondContact O-NH1 3.12Å; V186-R189 WeakPolarHBondContact O-CB 3.3Å; V186-R189 PolarHBondContact O-N 3.47Å; L187-R189 VanDerWaalsContact C-N 3.3Å; L187-R189 PolarHBondContact O-N 3.03Å
190	R	96.7	Very high	97.8	Very high	63 Å²	63	41.3 Å²	41.3	24%	0.238	22%	0.22	C	C	.	.	H	α-helix	trans	-97.3	-5.5	-175.2	-63.9	-67.4	-171.8	148.6	5.5	114	I154 D155 V186 L187 A192 G193 F194	I154-R190 HydrophobicContact CD1-CG 4.16Å; D155-R190 IonicContact OD1-CZ 3.46Å; D155-R190 IonicContact OD1-NH1 3.42Å; D155-R190 PolarHBondContact OD1-NH1 2.78Å; D155-R190 IonicContact OD1-NH2 3.37Å; D155-R190 PolarHBondContact OD1-NH2 3.07Å; D155-R190 IonicContact OD2-NH2 3.87Å; D155-R190 PolarHBondContact OD2-NH2 3.23Å; V186-R190 HydrophobicContact CG1-CG 4.26Å; V186-R190 WeakPolarHBondContact O-CG 3.45Å; V186-R190 PolarHBondContact O-N 3.11Å; L187-R190 CarbonylContact O-C 3.59Å; L187-R190 PolarHBondContact O-N 2.99Å; L187-R190 VanDerWaalsContact O-N 3.13Å; R190-A192 PolarHBondContact O-N 3.42Å; R190-G193 PolarHBondContact O-N 3.45Å; R190-F194 HydrophobicContact CB-CB 4.28Å; R190-F194 PolarHBondContact O-N 2.95Å
191	Q	94.7	Very high	97.8	Very high	149 Å²	149	41.2 Å²	41.2	70%	0.696	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-32.6	-172	-171.4	179.3	23.5	0	0	114.6	L187 G193	L187-Q191 WeakPolarHBondContact O-CA 3.4Å; L187-Q191 PolarHBondContact O-N 2.78Å; Q191-G193 VanDerWaalsContact C-N 3.26Å; Q191-G193 PolarHBondContact O-N 2.89Å
192	A	92.9	Very high	97.8	Very high	67 Å²	67	36.5 Å²	36.5	55%	0.554	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-25	179.9	0	0	0	0	0	113.8	R190 H433	R190-A192 PolarHBondContact O-N 3.42Å; A192-H433 PolarHBondContact O-CD2 3.02Å
193	G	95.3	Very high	97.8	Very high	8 Å²	8	36.1 Å²	36.1	8%	0.082	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.2	3.5	-174.4	0	0	0	0	0	115.1	Q158 R190 Q191	Q158-G193 PolarHBondContact NE2-O 3.33Å; R190-G193 PolarHBondContact O-N 3.45Å; Q191-G193 VanDerWaalsContact C-N 3.26Å; Q191-G193 PolarHBondContact O-N 2.89Å
194	F	98.1	Very high	97.7	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.018	20%	0.196	C	C	.	.			trans	-153.8	123.5	-177.1	-170	-105.1	0	0	0	110.7	L108 I154 L157 Q158 T163 A165 L187 R190 C196	L108-F194 HydrophobicContact CD1-CE1 4.14Å; I154-F194 HydrophobicContact CD1-CD1 4.13Å; I154-F194 HydrophobicContact CD1-CE1 4.13Å; I154-F194 HydrophobicContact CG1-CD1 4.17Å; I154-F194 HydrophobicContact CG1-CE1 3.87Å; I154-F194 HydrophobicContact CG1-CZ 4.18Å; I154-F194 HydrophobicContact CG2-CB 4.26Å; I154-F194 HydrophobicContact CG2-CD1 4.15Å; I154-F194 HydrophobicContact CG2-CD2 4Å; I154-F194 HydrophobicContact CG2-CE1 4.47Å; I154-F194 HydrophobicContact CG2-CE2 4.36Å; I154-F194 HydrophobicContact CG2-CG 3.89Å; L157-F194 HydrophobicContact CB-CE2 4.46Å; L157-F194 HydrophobicContact CD1-CE2 4Å; L157-F194 HydrophobicContact CD1-CZ 3.78Å; Q158-F194 HydrophobicContact CG-CD2 4.44Å; T163-F194 WeakPolarHBondContact O-CA 3.15Å; A165-F194 HydrophobicContact CB-CE1 4.12Å; A165-F194 HydrophobicContact CB-CE2 4.27Å; A165-F194 HydrophobicContact CB-CZ 3.47Å; A165-F194 VanDerWaalsContact CB-CZ 3.47Å; L187-F194 HydrophobicContact CD2-CD1 3.98Å; L187-F194 HydrophobicContact CD2-CE1 4.09Å; R190-F194 HydrophobicContact CB-CB 4.28Å; R190-F194 PolarHBondContact O-N 2.95Å; F194-C196 HydrophobicContact CD1-CB 4.02Å; F194-C196 HydrophobicContact CE1-CB 3.65Å
195	E	98	Very high	97.7	Very high	73 Å²	73	33.6 Å²	33.6	34%	0.341	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	130.8	174.8	-69.8	-179.1	177.8	0	0	109.8	T163 I164 A165 H433 K434	T163-E195 PolarHBondContact O-N 3Å; I164-E195 CarbonylContact C-O 3.47Å; I164-E195 VanDerWaalsContact CA-O 3.29Å; I164-E195 WeakPolarHBondContact CA-O 3.34Å; I164-E195 HydrophobicContact CG1-CB 4.39Å; A165-E195 PolarHBondContact N-O 3.4Å; E195-H433 IonicContact OE1-CE1 3.55Å; E195-H433 IonicContact OE1-NE2 2.73Å; E195-K434 WeakPolarHBondContact OE1-CE 3.4Å; E195-K434 IonicContact OE1-NZ 3.47Å; E195-K434 PolarHBondContact OE1-NZ 3.37Å
196	C	98.6	Very high	97.7	Very high	23 Å²	23	32 Å²	32	16%	0.155	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	121.8	-179.2	-169	0	0	0	0	111.9	A165 L187 F194	A165-C196 VanDerWaalsContact O-CA 3.26Å; A165-C196 WeakPolarHBondContact O-CA 3.48Å; L187-C196 HydrophobicContact CD1-CB 3.8Å; L187-C196 HydrophobicContact CD2-CB 3.43Å; L187-C196 VanDerWaalsContact CD2-CB 3.43Å; L187-C196 HydrophobicContact CG-CB 4.23Å; F194-C196 HydrophobicContact CD1-CB 4.02Å; F194-C196 HydrophobicContact CE1-CB 3.65Å
197	E	98.6	Very high	97.7	Very high	57 Å²	57	33.7 Å²	33.7	27%	0.266	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	147.4	166.4	-60.3	-178.8	128.6	0	0	109.7	A165 R166 S167 H224 Y225	A165-E197 PolarHBondContact O-N 3.35Å; R166-E197 CarbonylContact C-O 3.57Å; R166-E197 WeakPolarHBondContact CA-O 3.47Å; R166-E197 HydrophobicContact CB-CB 4.36Å; R166-E197 HydrophobicContact CG-CB 4.26Å; R166-E197 IonicContact CZ-OE2 3.74Å; R166-E197 IonicContact NE-OE2 2.59Å; R166-E197 PolarHBondContact NE-OE2 2.67Å; R166-E197 IonicContact NH2-OE2 2.78Å; R166-E197 PolarHBondContact NH2-OE2 3.13Å; S167-E197 PolarHBondContact N-O 3.46Å; E197-H224 HydrophobicContact CB-CB 4.37Å; E197-Y225 HydrophobicContact CB-CD2 4.39Å; E197-Y225 HydrophobicContact CB-CE2 3.89Å; E197-Y225 VanDerWaalsContact CD-CE2 3.41Å; E197-Y225 VanDerWaalsContact CD-OH 3.31Å; E197-Y225 HydrophobicContact CG-CE2 4.14Å; E197-Y225 WeakPolarHBondContact OE1-CE2 3.46Å; E197-Y225 PolarHBondContact OE1-OH 2.76Å; E197-Y225 WeakPolarHBondContact OE2-CE2 3.5Å; E197-Y225 PolarHBondContact OE2-OH 2.82Å
198	I	98.9	Very high	97.7	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	126.3	178.3	-53.6	175.3	0	0	0	110.2	S167 C169 L180 L183 Q184 L187 H224 Y225	S167-I198 CarbonylContact O-C 3.38Å; S167-I198 WeakPolarHBondContact O-CA 3.32Å; C169-I198 HydrophobicContact CB-CG2 3.8Å; L180-I198 HydrophobicContact CD1-CD1 3.93Å; L180-I198 HydrophobicContact CD1-CG2 3.8Å; L183-I198 HydrophobicContact CD2-CD1 4.24Å; L183-I198 HydrophobicContact CD2-CG1 4.31Å; L183-I198 HydrophobicContact CD2-CG2 4.42Å; L183-I198 HydrophobicContact CG-CD1 4.37Å; Q184-I198 HydrophobicContact CG-CD1 3.74Å; L187-I198 HydrophobicContact CD1-CD1 3.76Å; L187-I198 HydrophobicContact CD1-CG1 3.88Å; I198-H224 PolarHBondContact N-ND1 2.68Å; I198-H224 VanDerWaalsContact N-ND1 3.2Å; I198-H224 WeakPolarHBondContact O-CA 3.33Å; I198-H224 WeakPolarHBondContact O-CB 3.34Å; I198-H224 PolarHBondContact O-N 2.72Å; I198-Y225 PolarHBondContact O-N 3Å; I198-Y225 VanDerWaalsContact O-N 3.14Å
199	V	98.9	Very high	97.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	121.4	165.9	-168.9	0	0	0	0	108.1	R166 S167 H168 C169 F201 Y225 D257	R166-V199 HydrophobicContact CG-CG2 3.65Å; S167-V199 PolarHBondContact O-N 3.25Å; H168-V199 HydrophobicContact CB-CB 4.39Å; C169-V199 PolarHBondContact N-O 3.01Å; V199-F201 PolarHBondContact O-N 3.05Å; V199-Y225 CarbonylContact C-O 3.43Å; V199-Y225 WeakPolarHBondContact CA-O 3.35Å; V199-Y225 HydrophobicContact CG2-CD2 4.36Å; V199-Y225 HydrophobicContact CG2-CG 4.35Å; V199-D257 HydrophobicContact CG1-CB 4Å; V199-D257 HydrophobicContact CG2-CB 3.93Å
200	A	98.9	Very high	97.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	117.6	166.1	0	0	0	0	0	107.8	I171 M215 A218 M219 A223 Y225 G227	I171-A200 HydrophobicContact CG1-CB 3.82Å; A200-M215 HydrophobicContact CB-CE 3.88Å; A200-M215 HydrophobicContact CB-SD 4.07Å; A200-M215 WeakPolarHBondContact O-CE 3.34Å; A200-A218 HydrophobicContact CB-CB 3.84Å; A200-M219 HydrophobicContact CB-CE 3.26Å; A200-A223 HydrophobicContact CB-CB 4.01Å; A200-Y225 PolarHBondContact N-O 2.8Å; A200-G227 VanDerWaalsContact O-CA 3.29Å; A200-G227 WeakPolarHBondContact O-CA 3.28Å; A200-G227 PolarHBondContact O-N 2.79Å
201	F	98.8	Very high	97.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	111.8	-166	176.8	-140.1	0	0	0	112.3	H107 H168 C169 N170 I171 V199 Q203 G228 L229 H259	H107-F201 AromaticContact CE1-CD1 3.6Å; H107-F201 AromaticContact CE1-CE1 3.52Å; H168-F201 HydrophobicContact CB-CB 4.24Å; H168-F201 HydrophobicContact CB-CD1 4.11Å; H168-F201 HydrophobicContact CB-CG 4.36Å; C169-F201 WeakPolarHBondContact O-CB 3.47Å; C169-F201 PolarHBondContact O-N 3.31Å; N170-F201 CarbonylContact C-O 3.49Å; N170-F201 VanDerWaalsContact CA-O 3.32Å; N170-F201 WeakPolarHBondContact CA-O 3.43Å; I171-F201 PolarHBondContact N-O 2.86Å; V199-F201 PolarHBondContact O-N 3.05Å; F201-Q203 VanDerWaalsContact C-N 3.29Å; F201-Q203 HydrophobicContact CD1-CB 3.99Å; F201-Q203 HydrophobicContact CE1-CB 3.76Å; F201-Q203 VanDerWaalsContact CE1-CD 3.43Å; F201-Q203 HydrophobicContact CE1-CG 4.12Å; F201-Q203 HydrophobicContact CZ-CB 4.1Å; F201-Q203 HydrophobicContact CZ-CG 4.46Å; F201-Q203 PolarHBondContact O-N 3.23Å; F201-G228 WeakPolarHBondContact CE2-O 3.42Å; F201-L229 HydrophobicContact CE2-CB 3.97Å; F201-L229 HydrophobicContact CZ-CB 4.41Å; F201-L229 HydrophobicContact CZ-CD1 4.32Å; F201-H259 AromaticContact CE1-CE1 3.76Å; F201-H259 AromaticContact CE1-NE2 3.59Å; F201-H259 HydrophobicContact CE2-CB 4.11Å; F201-H259 AromaticContact CE2-CE1 3.94Å; F201-H259 AromaticContact CE2-CG 3.74Å; F201-H259 AromaticContact CE2-ND1 3.6Å; F201-H259 HydrophobicContact CZ-CB 4.16Å; F201-H259 AromaticContact CZ-CD2 3.52Å; F201-H259 AromaticContact CZ-CE1 3.65Å; F201-H259 AromaticContact CZ-CG 3.56Å; F201-H259 AromaticContact CZ-ND1 3.67Å; F201-H259 AromaticContact CZ-NE2 3.54Å
202	P	98.5	Very high	98	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.158	C	C	.	.			trans	-83.8	72.9	179	34.9	-33.2	0	0	0	110.2	I171 H204 G205 L206 M215 G227	I171-P202 WeakPolarHBondContact O-CA 3.49Å; P202-H204 PolarHBondContact O-N 3.33Å; P202-H204 VanDerWaalsContact O-N 3.11Å; P202-G205 WeakPolarHBondContact O-CA 3.35Å; P202-G205 PolarHBondContact O-N 2.96Å; P202-L206 HydrophobicContact CB-CB 4.3Å; P202-L206 HydrophobicContact CB-CD1 4.49Å; P202-L206 HydrophobicContact CG-CB 3.87Å; P202-L206 HydrophobicContact CG-CD1 4.26Å; P202-M215 HydrophobicContact CB-CG 4.5Å; P202-M215 HydrophobicContact CB-SD 3.98Å; P202-M215 HydrophobicContact CG-CE 4.21Å; P202-M215 HydrophobicContact CG-SD 4.01Å; P202-G227 WeakPolarHBondContact CD-O 3.36Å
203	Q	97.5	Very high	98.3	Very high	6 Å²	6	30.4 Å²	30.4	3%	0.028	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-23.3	-175.7	177	80	80.6	0	0	113.6	E135 N170 F201 G205 L229 W352	E135-Q203 WeakPolarHBondContact OE2-CG 3.33Å; N170-Q203 WeakPolarHBondContact ND2-CB 3.47Å; F201-Q203 VanDerWaalsContact C-N 3.29Å; F201-Q203 HydrophobicContact CD1-CB 3.99Å; F201-Q203 HydrophobicContact CE1-CB 3.76Å; F201-Q203 VanDerWaalsContact CE1-CD 3.43Å; F201-Q203 HydrophobicContact CE1-CG 4.12Å; F201-Q203 HydrophobicContact CZ-CB 4.1Å; F201-Q203 HydrophobicContact CZ-CG 4.46Å; F201-Q203 PolarHBondContact O-N 3.23Å; Q203-G205 VanDerWaalsContact C-N 3.27Å; Q203-G205 PolarHBondContact O-N 3.14Å; Q203-L229 WeakPolarHBondContact O-CD2 3.28Å; Q203-W352 HydrophobicContact CG-CZ2 4Å; Q203-W352 VanDerWaalsContact NE2-CZ2 3.34Å
204	H	97.9	Very high	98.5	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.009	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	14.8	173.1	-61.4	172.9	0	0	0	113.3	I132 E135 Q136 E172 P202	I132-H204 HydrophobicContact CG2-CB 3.94Å; E135-H204 IonicContact OE2-CD2 3.14Å; E135-H204 PolarHBondContact OE2-CD2 3.09Å; E135-H204 IonicContact OE2-NE2 3.35Å; E135-H204 PolarHBondContact OE2-NE2 3.34Å; Q136-H204 WeakPolarHBondContact CG-CE1 3.34Å; E172-H204 HydrophobicContact CB-CB 4.27Å; E172-H204 HydrophobicContact CG-CB 4.06Å; E172-H204 VanDerWaalsContact CG-ND1 3.28Å; E172-H204 WeakPolarHBondContact CG-ND1 3.44Å; P202-H204 PolarHBondContact O-N 3.33Å; P202-H204 VanDerWaalsContact O-N 3.11Å
205	G	98.4	Very high	98.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.16	C	C	.	.			trans	87.7	134.5	-175.4	0	0	0	0	0	112.9	P202 Q203 S209 V234 D235	P202-G205 WeakPolarHBondContact O-CA 3.35Å; P202-G205 PolarHBondContact O-N 2.96Å; Q203-G205 VanDerWaalsContact C-N 3.27Å; Q203-G205 PolarHBondContact O-N 3.14Å; G205-S209 WeakPolarHBondContact O-CB 3.45Å; G205-S209 PolarHBondContact O-N 3.21Å; G205-S209 VanDerWaalsContact O-N 3.16Å; G205-S209 PolarHBondContact O-OG 2.89Å; G205-V234 VanDerWaalsContact CA-CG1 3.47Å; G205-D235 VanDerWaalsContact C-OD1 3.25Å; G205-D235 WeakPolarHBondContact CA-OD1 3.49Å
206	L	98.8	Very high	98.6	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-47.2	-177.9	175.5	59.8	0	0	0	111.2	P202 S211 E212 M215 D235 T244 M245 I248	P202-L206 HydrophobicContact CB-CB 4.3Å; P202-L206 HydrophobicContact CB-CD1 4.49Å; P202-L206 HydrophobicContact CG-CB 3.87Å; P202-L206 HydrophobicContact CG-CD1 4.26Å; L206-S211 PolarHBondContact O-N 3.14Å; L206-E212 HydrophobicContact CD1-CB 4.37Å; L206-M215 HydrophobicContact CD1-CG 3.86Å; L206-D235 PolarHBondContact N-OD1 3.23Å; L206-D235 PolarHBondContact N-OD2 2.99Å; L206-T244 HydrophobicContact CD2-CG2 3.97Å; L206-T244 HydrophobicContact CG-CG2 4.45Å; L206-M245 HydrophobicContact CD2-CB 4.02Å; L206-I248 HydrophobicContact CD1-CD1 4.45Å
207	L	98.6	Very high	98.6	Very high	37 Å²	37	33.9 Å²	33.9	19%	0.194	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-42.9	178.7	-57.8	-174	0	0	0	111.5	S209 K210 D235 A237 K240	L207-S209 VanDerWaalsContact C-N 3.32Å; L207-S209 PolarHBondContact O-N 3.01Å; L207-K210 PolarHBondContact O-N 3.23Å; L207-K210 VanDerWaalsContact O-N 3.1Å; L207-D235 WeakPolarHBondContact CA-OD1 3.47Å; L207-D235 HydrophobicContact CB-CB 4.11Å; L207-D235 HydrophobicContact CD1-CB 4.39Å; L207-D235 HydrophobicContact CG-CB 4.34Å; L207-D235 VanDerWaalsContact N-CG 3.34Å; L207-D235 PolarHBondContact N-OD1 2.86Å; L207-D235 PolarHBondContact N-OD2 3.03Å; L207-A237 HydrophobicContact CD1-CB 4.09Å; L207-K240 HydrophobicContact CD1-CB 4Å; L207-K240 HydrophobicContact CD1-CD 3.99Å; L207-K240 HydrophobicContact CD1-CG 3.84Å
208	L	98.2	Very high	98.6	Very high	82 Å²	82	31.1 Å²	31.1	43%	0.429	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-47	-177.4	175.9	63.2	0	0	0	111.5	I132 V234 D235	I132-L208 HydrophobicContact CD1-CD2 4.39Å; L208-V234 HydrophobicContact CD2-CG1 4.01Å; L208-D235 PolarHBondContact N-OD1 3.03Å
209	S	98.1	Very high	98.6	Very high	20 Å²	20	31.2 Å²	31.2	14%	0.14	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	1.9	-179.8	72.8	0	0	0	0	114.2	P173 G205 L207 S211	P173-S209 WeakPolarHBondContact CG-O 3.41Å; G205-S209 WeakPolarHBondContact O-CB 3.45Å; G205-S209 PolarHBondContact O-N 3.21Å; G205-S209 VanDerWaalsContact O-N 3.16Å; G205-S209 PolarHBondContact O-OG 2.89Å; L207-S209 VanDerWaalsContact C-N 3.32Å; L207-S209 PolarHBondContact O-N 3.01Å; S209-S211 VanDerWaalsContact C-N 3.29Å; S209-S211 PolarHBondContact O-N 3.23Å; S209-S211 PolarHBondContact OG-OG 2.98Å
210	K	98.4	Very high	98.6	Very high	173 Å²	173	37.9 Å²	37.9	75%	0.752	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	56	42.3	-177.4	-53.6	177.4	-178.7	177.4	0	112.3	L207 E212 P213	L207-K210 PolarHBondContact O-N 3.23Å; L207-K210 VanDerWaalsContact O-N 3.1Å; K210-E212 VanDerWaalsContact C-N 3.34Å; K210-E212 PolarHBondContact O-N 2.94Å; K210-P213 WeakPolarHBondContact O-CD 3.37Å
211	S	98.7	Very high	98.6	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.			trans	-77.6	-12	-173.8	-76.9	0	0	0	0	114.6	I171 E172 L206 S209 L214 M215	I171-S211 PolarHBondContact O-OG 3.43Å; I171-S211 VanDerWaalsContact O-OG 3.13Å; E172-S211 VanDerWaalsContact CA-OG 3.29Å; E172-S211 WeakPolarHBondContact CA-OG 3.49Å; E172-S211 WeakPolarHBondContact CB-OG 3.16Å; L206-S211 PolarHBondContact O-N 3.14Å; S209-S211 VanDerWaalsContact C-N 3.29Å; S209-S211 PolarHBondContact O-N 3.23Å; S209-S211 PolarHBondContact OG-OG 2.98Å; S211-L214 PolarHBondContact O-N 3.14Å; S211-M215 VanDerWaalsContact O-CG 3.29Å; S211-M215 WeakPolarHBondContact O-CG 3.17Å; S211-M215 PolarHBondContact O-N 3.37Å
212	E	98.7	Very high	98.5	Very high	68 Å²	68	41.6 Å²	41.6	32%	0.318	22%	0.219	S	C	.	.	H	α-helix	trans	-47.1	-48.6	-174.7	173.5	-179.7	-174.9	0	0	114	L206 K210 L214 M215 R216 T244 I248	L206-E212 HydrophobicContact CD1-CB 4.37Å; K210-E212 VanDerWaalsContact C-N 3.34Å; K210-E212 PolarHBondContact O-N 2.94Å; E212-L214 PolarHBondContact O-N 2.75Å; E212-M215 WeakPolarHBondContact O-CB 3.37Å; E212-M215 PolarHBondContact O-N 3.24Å; E212-R216 HydrophobicContact CG-CG 4.47Å; E212-R216 WeakPolarHBondContact O-CG 3.48Å; E212-R216 PolarHBondContact O-N 2.79Å; E212-R216 IonicContact OE1-CZ 3.25Å; E212-R216 IonicContact OE1-NE 4Å; E212-R216 PolarHBondContact OE1-NE 2.85Å; E212-R216 IonicContact OE1-NH2 3.74Å; E212-R216 PolarHBondContact OE1-NH2 3.13Å; E212-T244 HydrophobicContact CB-CG2 4.24Å; E212-T244 HydrophobicContact CG-CG2 4.04Å; E212-I248 HydrophobicContact CG-CD1 4.18Å
213	P	98.8	Very high	98.5	Very high	81 Å²	81	41.6 Å²	41.6	53%	0.526	22%	0.219	S	C	.	.	H	α-helix	trans	-58.6	-45.4	177.8	-25	35.8	0	0	0	113	K210 M215 R216 E217	K210-P213 WeakPolarHBondContact O-CD 3.37Å; P213-M215 VanDerWaalsContact C-N 3.33Å; P213-M215 PolarHBondContact O-N 2.93Å; P213-R216 WeakPolarHBondContact O-CB 3.39Å; P213-R216 PolarHBondContact O-N 2.84Å; P213-E217 WeakPolarHBondContact O-CG 3.37Å; P213-E217 PolarHBondContact O-N 3.29Å
214	L	98.9	Very high	98.6	Very high	35 Å²	35	45 Å²	45	18%	0.183	24%	0.235	C	C	.	.	H	α-helix	trans	-65.6	-36.3	177.6	-70.9	172.9	0	0	0	112.2	I171 L177 S211 E212 R216 E217 A218	I171-L214 HydrophobicContact CG2-CB 3.72Å; L177-L214 HydrophobicContact CG-CD2 4.45Å; S211-L214 PolarHBondContact O-N 3.14Å; E212-L214 PolarHBondContact O-N 2.75Å; L214-R216 VanDerWaalsContact C-N 3.32Å; L214-R216 PolarHBondContact O-N 3.36Å; L214-E217 PolarHBondContact O-N 3.31Å; L214-A218 WeakPolarHBondContact O-CB 3.4Å; L214-A218 PolarHBondContact O-N 3.42Å
215	M	98.9	Very high	98.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.7	-41.3	175.8	-68.4	-70.8	-61.7	0	0	111.3	I171 A200 P202 L206 S211 E212 P213 A218 M219 V226 I248	I171-M215 HydrophobicContact CB-SD 3.75Å; I171-M215 HydrophobicContact CG2-CG 4.28Å; I171-M215 HydrophobicContact CG2-SD 3.8Å; A200-M215 HydrophobicContact CB-CE 3.88Å; A200-M215 HydrophobicContact CB-SD 4.07Å; A200-M215 WeakPolarHBondContact O-CE 3.34Å; P202-M215 HydrophobicContact CB-CG 4.5Å; P202-M215 HydrophobicContact CB-SD 3.98Å; P202-M215 HydrophobicContact CG-CE 4.21Å; P202-M215 HydrophobicContact CG-SD 4.01Å; L206-M215 HydrophobicContact CD1-CG 3.86Å; S211-M215 VanDerWaalsContact O-CG 3.29Å; S211-M215 WeakPolarHBondContact O-CG 3.17Å; S211-M215 PolarHBondContact O-N 3.37Å; E212-M215 WeakPolarHBondContact O-CB 3.37Å; E212-M215 PolarHBondContact O-N 3.24Å; P213-M215 VanDerWaalsContact C-N 3.33Å; P213-M215 PolarHBondContact O-N 2.93Å; M215-A218 WeakPolarHBondContact O-CB 3.37Å; M215-A218 PolarHBondContact O-N 3.14Å; M215-M219 WeakPolarHBondContact O-CG 3.4Å; M215-M219 PolarHBondContact O-N 3.17Å; M215-V226 HydrophobicContact CE-CG1 3.61Å; M215-I248 HydrophobicContact CB-CD1 4Å
216	R	98.9	Very high	98.7	Very high	56 Å²	56	46.8 Å²	46.8	21%	0.211	24%	0.242	C	C	.	.	H	α-helix	trans	-66.1	-41.9	175.2	-68.4	177.3	174.1	-72.8	-1	111.8	E212 P213 L214 A218 M219 Q220 I248 D251 Y252	E212-R216 HydrophobicContact CG-CG 4.47Å; E212-R216 WeakPolarHBondContact O-CG 3.48Å; E212-R216 PolarHBondContact O-N 2.79Å; E212-R216 IonicContact OE1-CZ 3.25Å; E212-R216 IonicContact OE1-NE 4Å; E212-R216 PolarHBondContact OE1-NE 2.85Å; E212-R216 IonicContact OE1-NH2 3.74Å; E212-R216 PolarHBondContact OE1-NH2 3.13Å; P213-R216 WeakPolarHBondContact O-CB 3.39Å; P213-R216 PolarHBondContact O-N 2.84Å; L214-R216 VanDerWaalsContact C-N 3.32Å; L214-R216 PolarHBondContact O-N 3.36Å; R216-A218 VanDerWaalsContact C-N 3.32Å; R216-A218 PolarHBondContact O-N 3.31Å; R216-M219 PolarHBondContact O-N 3.19Å; R216-Q220 WeakPolarHBondContact O-CG 3.48Å; R216-Q220 PolarHBondContact O-N 3.17Å; R216-Q220 VanDerWaalsContact O-N 3.09Å; R216-I248 HydrophobicContact CG-CG1 4.15Å; R216-I248 HydrophobicContact CG-CG2 4.41Å; R216-D251 IonicContact CZ-OD2 3.8Å; R216-D251 IonicContact NH1-OD2 2.66Å; R216-D251 PolarHBondContact NH1-OD2 3.24Å; R216-D251 IonicContact NH2-OD2 3.74Å; R216-D251 PolarHBondContact NH2-OD2 3.46Å; R216-D251 VanDerWaalsContact NH2-OD2 3.14Å; R216-Y252 HydrophobicContact CB-CE2 4.1Å; R216-Y252 WeakPolarHBondContact CB-OH 3.34Å; R216-Y252 HydrophobicContact CG-CE2 4.1Å; R216-Y252 PolarHBondContact O-OH 2.88Å
217	E	98.8	Very high	98.7	Very high	89 Å²	89	46.8 Å²	46.8	42%	0.416	24%	0.242	S	C	.	.	H	α-helix	trans	-62.5	-39	172.7	-67.8	176.8	-114.7	0	0	111.9	L177 P213 L214 M219 Q220 A221	L177-E217 HydrophobicContact CD1-CB 3.82Å; L177-E217 HydrophobicContact CD2-CB 4.24Å; P213-E217 WeakPolarHBondContact O-CG 3.37Å; P213-E217 PolarHBondContact O-N 3.29Å; L214-E217 PolarHBondContact O-N 3.31Å; E217-M219 PolarHBondContact O-N 3.4Å; E217-Q220 PolarHBondContact O-N 3.23Å; E217-A221 WeakPolarHBondContact O-CB 3.48Å; E217-A221 PolarHBondContact O-N 3.44Å
218	A	98.9	Very high	98.7	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.3	-38.2	175.7	0	0	0	0	0	112.5	I171 L177 L180 A200 L214 M215 R216 A221 G222 A223	I171-A218 HydrophobicContact CD1-CB 3.94Å; I171-A218 HydrophobicContact CG1-CB 4.03Å; I171-A218 HydrophobicContact CG2-CB 4.16Å; L177-A218 HydrophobicContact CD2-CB 3.99Å; L180-A218 HydrophobicContact CD2-CB 3.77Å; A200-A218 HydrophobicContact CB-CB 3.84Å; L214-A218 WeakPolarHBondContact O-CB 3.4Å; L214-A218 PolarHBondContact O-N 3.42Å; M215-A218 WeakPolarHBondContact O-CB 3.37Å; M215-A218 PolarHBondContact O-N 3.14Å; R216-A218 VanDerWaalsContact C-N 3.32Å; R216-A218 PolarHBondContact O-N 3.31Å; A218-A221 PolarHBondContact O-N 3.31Å; A218-G222 PolarHBondContact O-N 3.22Å; A218-A223 WeakPolarHBondContact O-CB 3.31Å; A218-A223 PolarHBondContact O-N 2.97Å
219	M	98.8	Very high	98.7	Very high	5 Å²	5	41.1 Å²	41.1	3%	0.025	21%	0.212	C	C	.	.	H	α-helix	trans	-62.8	-44.7	172.8	-68.8	-53.5	108.5	0	0	111.6	A200 M215 R216 E217 A221 G222 A223 Y225 V226 I248 Y252 K254	A200-M219 HydrophobicContact CB-CE 3.26Å; M215-M219 WeakPolarHBondContact O-CG 3.4Å; M215-M219 PolarHBondContact O-N 3.17Å; R216-M219 PolarHBondContact O-N 3.19Å; E217-M219 PolarHBondContact O-N 3.4Å; M219-A221 VanDerWaalsContact C-N 3.26Å; M219-A221 PolarHBondContact O-N 3.48Å; M219-G222 PolarHBondContact O-N 2.94Å; M219-G222 VanDerWaalsContact O-N 3.07Å; M219-A223 HydrophobicContact CE-CB 3.48Å; M219-A223 VanDerWaalsContact CE-CB 3.48Å; M219-A223 HydrophobicContact SD-CB 4.37Å; M219-Y225 WeakPolarHBondContact CE-O 3.46Å; M219-V226 HydrophobicContact CE-CG2 4.01Å; M219-V226 HydrophobicContact CG-CG2 4.21Å; M219-V226 HydrophobicContact SD-CG2 3.62Å; M219-I248 HydrophobicContact CG-CG2 3.73Å; M219-Y252 HydrophobicContact CB-CD1 3.78Å; M219-Y252 HydrophobicContact CB-CD2 3.48Å; M219-Y252 VanDerWaalsContact CB-CD2 3.48Å; M219-Y252 HydrophobicContact CB-CE1 4.08Å; M219-Y252 HydrophobicContact CB-CE2 3.81Å; M219-Y252 HydrophobicContact CB-CG 3.47Å; M219-Y252 VanDerWaalsContact CB-CG 3.47Å; M219-Y252 HydrophobicContact CG-CD2 3.65Å; M219-Y252 HydrophobicContact CG-CE2 4.16Å; M219-Y252 HydrophobicContact CG-CG 3.99Å; M219-K254 HydrophobicContact SD-CB 4.19Å; M219-K254 HydrophobicContact SD-CG 3.89Å
220	Q	98.6	Very high	98.7	Very high	141 Å²	141	40.5 Å²	40.5	66%	0.659	21%	0.207	S	C	*	.	H	α-helix	trans	-62.6	-34.9	175.4	-70	172.8	-15.2	0	0	112.3	R216 E217 G222 Y252	R216-Q220 WeakPolarHBondContact O-CG 3.48Å; R216-Q220 PolarHBondContact O-N 3.17Å; R216-Q220 VanDerWaalsContact O-N 3.09Å; E217-Q220 PolarHBondContact O-N 3.23Å; Q220-G222 PolarHBondContact O-N 2.86Å; Q220-Y252 HydrophobicContact CG-CD1 4.43Å; Q220-Y252 HydrophobicContact CG-CE1 3.41Å; Q220-Y252 VanDerWaalsContact CG-CE1 3.41Å; Q220-Y252 PolarHBondContact NE2-OH 2.74Å
221	A	98.5	Very high	98.7	Very high	45 Å²	45	32.2 Å²	32.2	37%	0.372	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-3.2	176	0	0	0	0	0	113.8	L180 Q184 E217 A218 M219	L180-A221 HydrophobicContact CD2-CB 4.05Å; Q184-A221 PolarHBondContact NE2-O 2.89Å; E217-A221 WeakPolarHBondContact O-CB 3.48Å; E217-A221 PolarHBondContact O-N 3.44Å; A218-A221 PolarHBondContact O-N 3.31Å; M219-A221 VanDerWaalsContact C-N 3.26Å; M219-A221 PolarHBondContact O-N 3.48Å
222	G	98.1	Very high	98.7	Very high	32 Å²	32	34.5 Å²	34.5	33%	0.33	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	99.9	20.7	173.1	0	0	0	0	0	115.6	A218 M219 Q220	A218-G222 PolarHBondContact O-N 3.22Å; M219-G222 PolarHBondContact O-N 2.94Å; M219-G222 VanDerWaalsContact O-N 3.07Å; Q220-G222 PolarHBondContact O-N 2.86Å
223	A	98.7	Very high	98.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.192	C	C	.	.			trans	-61.2	149.4	163.3	0	0	0	0	0	111	A200 A218 M219	A200-A223 HydrophobicContact CB-CB 4.01Å; A218-A223 WeakPolarHBondContact O-CB 3.31Å; A218-A223 PolarHBondContact O-N 2.97Å; M219-A223 HydrophobicContact CE-CB 3.48Å; M219-A223 VanDerWaalsContact CE-CB 3.48Å; M219-A223 HydrophobicContact SD-CB 4.37Å
224	H	98.7	Very high	98.6	Very high	79 Å²	79	30.9 Å²	30.9	37%	0.366	17%	0.169	S	C	.	.	S	Bend	trans	-98.4	-31.2	-170.2	-60.3	78	0	0	0	112.6	E197 I198 K254 G255	E197-H224 HydrophobicContact CB-CB 4.37Å; I198-H224 PolarHBondContact N-ND1 2.68Å; I198-H224 VanDerWaalsContact N-ND1 3.2Å; I198-H224 WeakPolarHBondContact O-CA 3.33Å; I198-H224 WeakPolarHBondContact O-CB 3.34Å; I198-H224 PolarHBondContact O-N 2.72Å; H224-K254 WeakPolarHBondContact O-CB 3.29Å; H224-G255 PolarHBondContact O-N 3.19Å
225	Y	98.9	Very high	98.5	Very high	39 Å²	39	30 Å²	30	15%	0.153	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	146	-179.5	-59.1	-102.1	0	0	0	110.9	R166 E197 I198 V199 A200 M219 G255 D257	R166-Y225 PolarHBondContact NH2-OH 3.2Å; E197-Y225 HydrophobicContact CB-CD2 4.39Å; E197-Y225 HydrophobicContact CB-CE2 3.89Å; E197-Y225 VanDerWaalsContact CD-CE2 3.41Å; E197-Y225 VanDerWaalsContact CD-OH 3.31Å; E197-Y225 HydrophobicContact CG-CE2 4.14Å; E197-Y225 WeakPolarHBondContact OE1-CE2 3.46Å; E197-Y225 PolarHBondContact OE1-OH 2.76Å; E197-Y225 WeakPolarHBondContact OE2-CE2 3.5Å; E197-Y225 PolarHBondContact OE2-OH 2.82Å; I198-Y225 PolarHBondContact O-N 3Å; I198-Y225 VanDerWaalsContact O-N 3.14Å; V199-Y225 CarbonylContact C-O 3.43Å; V199-Y225 WeakPolarHBondContact CA-O 3.35Å; V199-Y225 HydrophobicContact CG2-CD2 4.36Å; V199-Y225 HydrophobicContact CG2-CG 4.35Å; A200-Y225 PolarHBondContact N-O 2.8Å; M219-Y225 WeakPolarHBondContact CE-O 3.46Å; Y225-G255 CarbonylContact C-O 3.58Å; Y225-G255 WeakPolarHBondContact CA-O 3.37Å; Y225-D257 HydrophobicContact CD1-CB 4.41Å; Y225-D257 HydrophobicContact CG-CB 4.5Å
226	V	98.9	Very high	98.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	123.7	167.8	-170.4	0	0	0	0	108.3	M215 M219 M245 I248 A249 G255 V256 D257	M215-V226 HydrophobicContact CE-CG1 3.61Å; M219-V226 HydrophobicContact CE-CG2 4.01Å; M219-V226 HydrophobicContact CG-CG2 4.21Å; M219-V226 HydrophobicContact SD-CG2 3.62Å; V226-M245 HydrophobicContact CB-CG 4.4Å; V226-M245 HydrophobicContact CG1-CG 3.81Å; V226-I248 HydrophobicContact CG1-CB 4.13Å; V226-I248 HydrophobicContact CG1-CD1 4.4Å; V226-I248 HydrophobicContact CG1-CG2 4.08Å; V226-I248 HydrophobicContact CG2-CB 4.14Å; V226-I248 HydrophobicContact CG2-CG2 3.64Å; V226-A249 HydrophobicContact CB-CB 4.45Å; V226-A249 HydrophobicContact CG2-CB 3.95Å; V226-G255 PolarHBondContact N-O 2.76Å; V226-V256 CarbonylContact O-C 3.6Å; V226-V256 VanDerWaalsContact O-CA 3.26Å; V226-V256 WeakPolarHBondContact O-CA 3.14Å; V226-D257 PolarHBondContact O-N 3.01Å
227	G	98.8	Very high	98.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	20%	0.202	C	C	.	.			trans	-95	173.1	173.2	0	0	0	0	0	113.1	A200 P202 D257	A200-G227 VanDerWaalsContact O-CA 3.29Å; A200-G227 WeakPolarHBondContact O-CA 3.28Å; A200-G227 PolarHBondContact O-N 2.79Å; P202-G227 WeakPolarHBondContact CD-O 3.36Å; G227-D257 VanDerWaalsContact CA-O 3.28Å; G227-D257 WeakPolarHBondContact CA-O 3.39Å
228	G	98.7	Very high	98.4	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.01	19%	0.19	C	C	.	.			trans	-157.7	167.8	172.4	0	0	0	0	0	109.4	F201 I258 H259	F201-G228 WeakPolarHBondContact CE2-O 3.42Å; G228-I258 WeakPolarHBondContact O-CG1 3.36Å; G228-H259 PolarHBondContact O-N 2.96Å
229	L	98.5	Very high	98.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-137.9	123	177.7	178.2	65.8	0	0	0	110	F201 Q203 V234 H259 H261	F201-L229 HydrophobicContact CE2-CB 3.97Å; F201-L229 HydrophobicContact CZ-CB 4.41Å; F201-L229 HydrophobicContact CZ-CD1 4.32Å; Q203-L229 WeakPolarHBondContact O-CD2 3.28Å; L229-V234 HydrophobicContact CD2-CG1 4.34Å; L229-V234 HydrophobicContact CD2-CG2 4.03Å; L229-V234 HydrophobicContact CG-CG2 4.11Å; L229-H259 HydrophobicContact CD1-CB 3.73Å; L229-H261 VanDerWaalsContact CD1-CE1 3.47Å; L229-H261 WeakPolarHBondContact CD1-CE1 3.45Å
230	D	98.4	Very high	98.4	Very high	6 Å²	6	41.4 Å²	41.4	3%	0.032	24%	0.243	C	C	.	.			trans	37.5	71.3	164.6	-63.1	-32.9	0	0	0	113.5	T232 S233 V234 H259 L260 H261 E262	D230-T232 PolarHBondContact O-N 3.11Å; D230-S233 WeakPolarHBondContact CB-OG 3.43Å; D230-S233 PolarHBondContact O-N 2.78Å; D230-V234 HydrophobicContact CB-CB 4.23Å; D230-V234 HydrophobicContact CB-CG2 3.82Å; D230-V234 WeakPolarHBondContact O-CB 3.25Å; D230-V234 PolarHBondContact O-N 3.02Å; D230-H259 PolarHBondContact N-O 2.82Å; D230-L260 WeakPolarHBondContact OD1-CA 3.46Å; D230-H261 IonicContact OD1-CG 3.02Å; D230-H261 PolarHBondContact OD1-N 2.61Å; D230-H261 IonicContact OD1-ND1 2.66Å; D230-H261 PolarHBondContact OD1-ND1 3.35Å; D230-H261 IonicContact OD2-CE1 3.19Å; D230-H261 IonicContact OD2-CG 3.2Å; D230-H261 IonicContact OD2-ND1 2.71Å; D230-H261 PolarHBondContact OD2-ND1 3.05Å; D230-E262 HydrophobicContact CB-CG 3.9Å
231	P	98.5	Very high	98.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-16.8	-162.9	29.7	-38.7	0	0	0	113.2	D235 A237 M238 L242 A270	P231-D235 WeakPolarHBondContact O-CB 3.14Å; P231-A237 CarbonylContact O-C 3.41Å; P231-A237 PolarHBondContact O-N 3.32Å; P231-M238 HydrophobicContact CB-CG 4.34Å; P231-M238 HydrophobicContact CG-CG 4.09Å; P231-M238 WeakPolarHBondContact O-CA 3.18Å; P231-M238 PolarHBondContact O-N 3.3Å; P231-L242 HydrophobicContact CB-CD2 4.16Å; P231-L242 HydrophobicContact CB-CG 4.04Å; P231-L242 HydrophobicContact CG-CD1 4.34Å; P231-L242 HydrophobicContact CG-CD2 4Å; P231-L242 HydrophobicContact CG-CG 4.09Å; P231-A270 HydrophobicContact CG-CB 4.07Å
232	T	98.3	Very high	98.5	Very high	47 Å²	47	32.6 Å²	32.6	29%	0.288	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-55	175.2	-39.5	0	0	0	0	112.2	D230 G236 E262 A266	D230-T232 PolarHBondContact O-N 3.11Å; T232-G236 WeakPolarHBondContact O-CA 2.89Å; T232-G236 PolarHBondContact O-N 2.81Å; T232-E262 WeakPolarHBondContact CA-OE1 3.49Å; T232-E262 WeakPolarHBondContact CB-OE1 3.41Å; T232-E262 PolarHBondContact N-OE1 3.39Å; T232-E262 PolarHBondContact OG1-OE2 2.85Å; T232-E262 VanDerWaalsContact OG1-OE2 3.1Å; T232-A266 HydrophobicContact CG2-CB 3.88Å
233	S	97	Very high	98.5	Very high	67 Å²	67	34.4 Å²	34.4	47%	0.469	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-23.2	-168.5	57	0	0	0	0	113.8	D230 E262	D230-S233 WeakPolarHBondContact CB-OG 3.43Å; D230-S233 PolarHBondContact O-N 2.78Å; S233-E262 VanDerWaalsContact CB-OE1 3.26Å; S233-E262 WeakPolarHBondContact CB-OE1 3.46Å; S233-E262 PolarHBondContact N-OE1 2.85Å; S233-E262 PolarHBondContact OG-OE1 3.35Å
234	V	98.1	Very high	98.5	Very high	7 Å²	7	35.3 Å²	35.3	4%	0.042	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-53.2	172.5	174.2	0	0	0	0	110.7	I128 I132 G205 L208 L229 D230	I128-V234 HydrophobicContact CG1-CG2 3.79Å; I128-V234 HydrophobicContact CG2-CG2 4.34Å; I132-V234 HydrophobicContact CD1-CG1 4.1Å; G205-V234 VanDerWaalsContact CA-CG1 3.47Å; L208-V234 HydrophobicContact CD2-CG1 4.01Å; L229-V234 HydrophobicContact CD2-CG1 4.34Å; L229-V234 HydrophobicContact CD2-CG2 4.03Å; L229-V234 HydrophobicContact CG-CG2 4.11Å; D230-V234 HydrophobicContact CB-CB 4.23Å; D230-V234 HydrophobicContact CB-CG2 3.82Å; D230-V234 WeakPolarHBondContact O-CB 3.25Å; D230-V234 PolarHBondContact O-N 3.02Å
235	D	98.4	Very high	98.5	Very high	17 Å²	17	31.6 Å²	31.6	9%	0.091	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-17.7	-174.8	-84.9	-22	0	0	0	114.5	G205 L206 L207 L208 P231 A237 S241	G205-D235 VanDerWaalsContact C-OD1 3.25Å; G205-D235 WeakPolarHBondContact CA-OD1 3.49Å; L206-D235 PolarHBondContact N-OD1 3.23Å; L206-D235 PolarHBondContact N-OD2 2.99Å; L207-D235 WeakPolarHBondContact CA-OD1 3.47Å; L207-D235 HydrophobicContact CB-CB 4.11Å; L207-D235 HydrophobicContact CD1-CB 4.39Å; L207-D235 HydrophobicContact CG-CB 4.34Å; L207-D235 VanDerWaalsContact N-CG 3.34Å; L207-D235 PolarHBondContact N-OD1 2.86Å; L207-D235 PolarHBondContact N-OD2 3.03Å; L208-D235 PolarHBondContact N-OD1 3.03Å; P231-D235 WeakPolarHBondContact O-CB 3.14Å; D235-A237 PolarHBondContact O-N 2.86Å; D235-A237 VanDerWaalsContact O-N 3.11Å; D235-S241 WeakPolarHBondContact OD2-CB 2.95Å; D235-S241 PolarHBondContact OD2-OG 3.46Å
236	G	97.8	Very high	98.5	Very high	66 Å²	66	30 Å²	30	68%	0.68	18%	0.178	S	C	*	.	S	Bend	trans	70.8	0.3	177.9	0	0	0	0	0	115.2	T232	T232-G236 WeakPolarHBondContact O-CA 2.89Å; T232-G236 PolarHBondContact O-N 2.81Å
237	A	98.2	Very high	98.5	Very high	38 Å²	38	34.3 Å²	34.3	31%	0.314	20%	0.198	S	C	.	.			trans	-148.2	79.3	-175.1	0	0	0	0	0	110.3	L207 P231 D235 E239 K240 S241	L207-A237 HydrophobicContact CD1-CB 4.09Å; P231-A237 CarbonylContact O-C 3.41Å; P231-A237 PolarHBondContact O-N 3.32Å; D235-A237 PolarHBondContact O-N 2.86Å; D235-A237 VanDerWaalsContact O-N 3.11Å; A237-E239 PolarHBondContact O-N 3.26Å; A237-K240 HydrophobicContact CB-CB 4.15Å; A237-K240 PolarHBondContact O-N 2.88Å; A237-S241 WeakPolarHBondContact O-CB 3.44Å; A237-S241 PolarHBondContact O-N 3.38Å
238	M	98.6	Very high	98.5	Very high	32 Å²	32	34.3 Å²	34.3	16%	0.158	20%	0.198	C	C	.	.	H	α-helix	trans	-49.7	-57.9	-170.8	-173.9	-159.7	76.5	0	0	113.3	P231 S241 L242 A269 A270 Y273	P231-M238 HydrophobicContact CB-CG 4.34Å; P231-M238 HydrophobicContact CG-CG 4.09Å; P231-M238 WeakPolarHBondContact O-CA 3.18Å; P231-M238 PolarHBondContact O-N 3.3Å; M238-S241 PolarHBondContact O-N 3.36Å; M238-L242 HydrophobicContact CG-CD1 3.96Å; M238-L242 WeakPolarHBondContact O-CB 3.34Å; M238-L242 VanDerWaalsContact O-CG 3.31Å; M238-L242 WeakPolarHBondContact O-CG 3.38Å; M238-L242 PolarHBondContact O-N 3.13Å; M238-A269 HydrophobicContact SD-CB 4.15Å; M238-A270 HydrophobicContact CG-CB 4.08Å; M238-A270 VanDerWaalsContact SD-CA 3.55Å; M238-A270 HydrophobicContact SD-CB 3.85Å; M238-Y273 HydrophobicContact CE-CD2 4Å; M238-Y273 HydrophobicContact CE-CG 3.98Å
239	E	98.7	Very high	98.5	Very high	117 Å²	117	34.3 Å²	34.3	55%	0.547	20%	0.198	S	C	.	.	H	α-helix	trans	-61.4	-49.6	-176.7	-59.5	-180	164.3	0	0	111.1	A237 S241 L242 D243 Y273	A237-E239 PolarHBondContact O-N 3.26Å; E239-S241 VanDerWaalsContact C-N 3.31Å; E239-S241 PolarHBondContact O-N 2.83Å; E239-L242 PolarHBondContact O-N 3.28Å; E239-D243 VanDerWaalsContact O-CB 3.3Å; E239-D243 WeakPolarHBondContact O-CB 3.43Å; E239-D243 PolarHBondContact O-N 3.12Å; E239-Y273 HydrophobicContact CB-CE2 4.12Å; E239-Y273 HydrophobicContact CG-CD2 4.12Å; E239-Y273 HydrophobicContact CG-CE2 3.65Å
240	K	98.8	Very high	98.6	Very high	135 Å²	135	37 Å²	37	59%	0.587	21%	0.213	S	C	*	.	H	α-helix	trans	-60.2	-40.5	179.8	-173.9	178.7	176.7	-179.3	0	112.2	L207 A237 T244	L207-K240 HydrophobicContact CD1-CB 4Å; L207-K240 HydrophobicContact CD1-CD 3.99Å; L207-K240 HydrophobicContact CD1-CG 3.84Å; A237-K240 HydrophobicContact CB-CB 4.15Å; A237-K240 PolarHBondContact O-N 2.88Å; K240-T244 WeakPolarHBondContact O-CB 3Å; K240-T244 PolarHBondContact O-N 2.88Å; K240-T244 PolarHBondContact O-OG1 3.18Å
241	S	98.9	Very high	98.6	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.007	23%	0.231	C	C	.	.	H	α-helix	trans	-65.2	-49.6	178.8	177.8	0	0	0	0	110.6	D235 A237 M238 E239 T244 M245	D235-S241 WeakPolarHBondContact OD2-CB 2.95Å; D235-S241 PolarHBondContact OD2-OG 3.46Å; A237-S241 WeakPolarHBondContact O-CB 3.44Å; A237-S241 PolarHBondContact O-N 3.38Å; M238-S241 PolarHBondContact O-N 3.36Å; E239-S241 VanDerWaalsContact C-N 3.31Å; E239-S241 PolarHBondContact O-N 2.83Å; S241-T244 PolarHBondContact O-N 3.02Å; S241-M245 PolarHBondContact O-N 2.96Å
242	L	98.9	Very high	98.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63	-45.2	178.6	-67.7	176.4	0	0	0	112	P231 M238 E239 T244 M245 F246 I258 A270 Y273 M274	P231-L242 HydrophobicContact CB-CD2 4.16Å; P231-L242 HydrophobicContact CB-CG 4.04Å; P231-L242 HydrophobicContact CG-CD1 4.34Å; P231-L242 HydrophobicContact CG-CD2 4Å; P231-L242 HydrophobicContact CG-CG 4.09Å; M238-L242 HydrophobicContact CG-CD1 3.96Å; M238-L242 WeakPolarHBondContact O-CB 3.34Å; M238-L242 VanDerWaalsContact O-CG 3.31Å; M238-L242 WeakPolarHBondContact O-CG 3.38Å; M238-L242 PolarHBondContact O-N 3.13Å; E239-L242 PolarHBondContact O-N 3.28Å; L242-T244 VanDerWaalsContact C-N 3.34Å; L242-T244 PolarHBondContact O-N 3.29Å; L242-M245 HydrophobicContact CD2-CE 3.75Å; L242-M245 PolarHBondContact O-N 3.15Å; L242-F246 HydrophobicContact CB-CD2 4.43Å; L242-F246 HydrophobicContact CB-CE2 4.37Å; L242-F246 WeakPolarHBondContact O-CD2 3.31Å; L242-F246 PolarHBondContact O-N 3.38Å; L242-I258 HydrophobicContact CD2-CD1 3.61Å; L242-A270 HydrophobicContact CD1-CB 4.37Å; L242-Y273 HydrophobicContact CB-CD1 4.01Å; L242-Y273 HydrophobicContact CB-CE1 4Å; L242-Y273 HydrophobicContact CD1-CD1 3.52Å; L242-Y273 HydrophobicContact CD1-CE1 4.3Å; L242-Y273 HydrophobicContact CD1-CG 4.14Å; L242-Y273 HydrophobicContact CG-CD1 4.42Å; L242-M274 HydrophobicContact CD1-CG 3.91Å; L242-M274 HydrophobicContact CD2-CG 3.76Å; L242-M274 HydrophobicContact CD2-SD 3.83Å; L242-M274 HydrophobicContact CG-CG 4.4Å
243	D	98.9	Very high	98.6	Very high	71 Å²	71	46.6 Å²	46.6	38%	0.38	26%	0.258	S	S	.	.	H	α-helix	trans	-61.1	-42.5	177.6	-70.5	-11.7	0	0	0	111.5	E239 F246 Q247 Y273	E239-D243 VanDerWaalsContact O-CB 3.3Å; E239-D243 WeakPolarHBondContact O-CB 3.43Å; E239-D243 PolarHBondContact O-N 3.12Å; D243-F246 PolarHBondContact O-N 3.36Å; D243-Q247 VanDerWaalsContact O-CB 3.25Å; D243-Q247 WeakPolarHBondContact O-CB 3.36Å; D243-Q247 PolarHBondContact O-N 3.34Å; D243-Y273 VanDerWaalsContact CG-OH 3.24Å; D243-Y273 VanDerWaalsContact OD1-CE1 3.31Å; D243-Y273 WeakPolarHBondContact OD1-CE1 3.34Å; D243-Y273 PolarHBondContact OD1-OH 3.18Å; D243-Y273 PolarHBondContact OD2-OH 3.32Å
244	T	98.9	Very high	98.7	Very high	18 Å²	18	46.7 Å²	46.7	11%	0.11	25%	0.25	C	S	.	.	H	α-helix	trans	-63.1	-45.9	177.2	-54.9	0	0	0	0	110.6	L206 E212 K240 S241 L242 Q247 I248	L206-T244 HydrophobicContact CD2-CG2 3.97Å; L206-T244 HydrophobicContact CG-CG2 4.45Å; E212-T244 HydrophobicContact CB-CG2 4.24Å; E212-T244 HydrophobicContact CG-CG2 4.04Å; K240-T244 WeakPolarHBondContact O-CB 3Å; K240-T244 PolarHBondContact O-N 2.88Å; K240-T244 PolarHBondContact O-OG1 3.18Å; S241-T244 PolarHBondContact O-N 3.02Å; L242-T244 VanDerWaalsContact C-N 3.34Å; L242-T244 PolarHBondContact O-N 3.29Å; T244-Q247 PolarHBondContact O-N 3.4Å; T244-I248 HydrophobicContact CG2-CD1 4.29Å; T244-I248 VanDerWaalsContact O-CG1 3.28Å; T244-I248 WeakPolarHBondContact O-CG1 3.16Å; T244-I248 PolarHBondContact O-N 3.5Å
245	M	98.9	Very high	98.7	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-60.1	-48.6	177	-179.9	-173.2	63.9	0	0	111.9	L206 V226 S241 L242 Q247 I248 A249 V256 I258	L206-M245 HydrophobicContact CD2-CB 4.02Å; V226-M245 HydrophobicContact CB-CG 4.4Å; V226-M245 HydrophobicContact CG1-CG 3.81Å; S241-M245 PolarHBondContact O-N 2.96Å; L242-M245 HydrophobicContact CD2-CE 3.75Å; L242-M245 PolarHBondContact O-N 3.15Å; M245-Q247 PolarHBondContact O-N 3.45Å; M245-I248 PolarHBondContact O-N 2.93Å; M245-A249 PolarHBondContact O-N 2.8Å; M245-A249 VanDerWaalsContact O-N 3.08Å; M245-V256 HydrophobicContact CE-CG1 3.56Å; M245-V256 HydrophobicContact CG-CG1 4.21Å; M245-V256 HydrophobicContact SD-CG1 3.58Å; M245-V256 VanDerWaalsContact SD-CG1 3.58Å; M245-I258 HydrophobicContact CE-CB 4.22Å; M245-I258 HydrophobicContact CE-CD1 3.82Å; M245-I258 HydrophobicContact SD-CB 3.85Å; M245-I258 HydrophobicContact SD-CD1 3.87Å; M245-I258 HydrophobicContact SD-CG1 4.14Å
246	F	98.9	Very high	98.7	Very high	5 Å²	5	46 Å²	46	2%	0.022	25%	0.248	C	C	.	.	H	α-helix	trans	-64.6	-38.5	177.5	-75.6	-57.3	0	0	0	112.2	L242 D243 I248 A249 L250 V256 M274 T277 L284 L288	L242-F246 HydrophobicContact CB-CD2 4.43Å; L242-F246 HydrophobicContact CB-CE2 4.37Å; L242-F246 WeakPolarHBondContact O-CD2 3.31Å; L242-F246 PolarHBondContact O-N 3.38Å; D243-F246 PolarHBondContact O-N 3.36Å; F246-I248 PolarHBondContact O-N 3.39Å; F246-A249 WeakPolarHBondContact O-CB 3.11Å; F246-A249 PolarHBondContact O-N 3.24Å; F246-L250 VanDerWaalsContact O-CG 3.3Å; F246-L250 WeakPolarHBondContact O-CG 3.27Å; F246-L250 PolarHBondContact O-N 3.41Å; F246-V256 HydrophobicContact CD1-CG2 3.95Å; F246-V256 HydrophobicContact CE1-CG2 4.11Å; F246-M274 HydrophobicContact CE2-CB 4.3Å; F246-M274 HydrophobicContact CE2-CG 3.93Å; F246-M274 HydrophobicContact CZ-CB 4.01Å; F246-M274 HydrophobicContact CZ-CG 3.89Å; F246-T277 HydrophobicContact CD2-CG2 3.6Å; F246-T277 HydrophobicContact CE2-CG2 3.86Å; F246-T277 HydrophobicContact CG-CG2 4Å; F246-T277 HydrophobicContact CZ-CG2 4.45Å; F246-L284 HydrophobicContact CB-CD1 4.21Å; F246-L284 HydrophobicContact CD1-CD1 3.46Å; F246-L284 VanDerWaalsContact CD1-CD1 3.46Å; F246-L284 HydrophobicContact CD1-CD2 4.1Å; F246-L284 HydrophobicContact CD1-CG 4.4Å; F246-L284 HydrophobicContact CE1-CD1 3.99Å; F246-L284 HydrophobicContact CG-CD1 3.97Å; F246-L288 HydrophobicContact CE1-CD1 4.23Å; F246-L288 HydrophobicContact CZ-CD1 4.33Å; F246-L288 HydrophobicContact CZ-CD2 4.23Å
247	Q	98.9	Very high	98.8	Very high	91 Å²	91	42.8 Å²	42.8	43%	0.425	22%	0.215	S	C	.	.	H	α-helix	trans	-62.9	-42.6	176.8	-170.3	61.4	56.5	0	0	111.4	D243 T244 M245 A249 L250 D251	D243-Q247 VanDerWaalsContact O-CB 3.25Å; D243-Q247 WeakPolarHBondContact O-CB 3.36Å; D243-Q247 PolarHBondContact O-N 3.34Å; T244-Q247 PolarHBondContact O-N 3.4Å; M245-Q247 PolarHBondContact O-N 3.45Å; Q247-A249 VanDerWaalsContact C-N 3.32Å; Q247-A249 PolarHBondContact O-N 2.84Å; Q247-L250 PolarHBondContact O-N 3.49Å; Q247-D251 PolarHBondContact NE2-OD1 2.95Å; Q247-D251 WeakPolarHBondContact O-CB 3.5Å; Q247-D251 PolarHBondContact O-N 3.32Å
248	I	98.9	Very high	98.8	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60.1	-44.7	173.5	-61.4	162.5	0	0	0	110	L206 E212 M215 R216 M219 V226 T244 M245 F246 L250 D251 Y252	L206-I248 HydrophobicContact CD1-CD1 4.45Å; E212-I248 HydrophobicContact CG-CD1 4.18Å; M215-I248 HydrophobicContact CB-CD1 4Å; R216-I248 HydrophobicContact CG-CG1 4.15Å; R216-I248 HydrophobicContact CG-CG2 4.41Å; M219-I248 HydrophobicContact CG-CG2 3.73Å; V226-I248 HydrophobicContact CG1-CB 4.13Å; V226-I248 HydrophobicContact CG1-CD1 4.4Å; V226-I248 HydrophobicContact CG1-CG2 4.08Å; V226-I248 HydrophobicContact CG2-CB 4.14Å; V226-I248 HydrophobicContact CG2-CG2 3.64Å; T244-I248 HydrophobicContact CG2-CD1 4.29Å; T244-I248 VanDerWaalsContact O-CG1 3.28Å; T244-I248 WeakPolarHBondContact O-CG1 3.16Å; T244-I248 PolarHBondContact O-N 3.5Å; M245-I248 PolarHBondContact O-N 2.93Å; F246-I248 PolarHBondContact O-N 3.39Å; I248-L250 VanDerWaalsContact C-N 3.31Å; I248-L250 PolarHBondContact O-N 3.38Å; I248-D251 PolarHBondContact O-N 2.87Å; I248-Y252 HydrophobicContact CG2-CD2 4.03Å; I248-Y252 HydrophobicContact CG2-CE2 4.24Å; I248-Y252 VanDerWaalsContact O-CD2 3.31Å; I248-Y252 WeakPolarHBondContact O-CD2 3.26Å; I248-Y252 PolarHBondContact O-N 3.25Å
249	A	98.9	Very high	98.8	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.008	19%	0.194	C	C	.	.	H	α-helix	trans	-61.7	-39.7	179.7	0	0	0	0	0	112.2	V226 M245 F246 Q247 D253 K254 V256 L284	V226-A249 HydrophobicContact CB-CB 4.45Å; V226-A249 HydrophobicContact CG2-CB 3.95Å; M245-A249 PolarHBondContact O-N 2.8Å; M245-A249 VanDerWaalsContact O-N 3.08Å; F246-A249 WeakPolarHBondContact O-CB 3.11Å; F246-A249 PolarHBondContact O-N 3.24Å; Q247-A249 VanDerWaalsContact C-N 3.32Å; Q247-A249 PolarHBondContact O-N 2.84Å; A249-D253 CarbonylContact O-C 3.52Å; A249-D253 WeakPolarHBondContact O-CA 3.26Å; A249-D253 PolarHBondContact O-N 3.4Å; A249-K254 PolarHBondContact O-N 2.96Å; A249-V256 HydrophobicContact CB-CG2 3.52Å; A249-L284 HydrophobicContact CB-CD2 4.48Å
250	L	98.8	Very high	98.8	Very high	57 Å²	57	34.1 Å²	34.1	30%	0.298	17%	0.168	S	C	.	.	H	α-helix	trans	-66.5	-44.9	175.3	-70.8	168.1	0	0	0	112.3	F246 Q247 I248 Y252 D253 T281 Q283 L284	F246-L250 VanDerWaalsContact O-CG 3.3Å; F246-L250 WeakPolarHBondContact O-CG 3.27Å; F246-L250 PolarHBondContact O-N 3.41Å; Q247-L250 PolarHBondContact O-N 3.49Å; I248-L250 VanDerWaalsContact C-N 3.31Å; I248-L250 PolarHBondContact O-N 3.38Å; L250-Y252 PolarHBondContact O-N 3.1Å; L250-D253 PolarHBondContact O-N 2.63Å; L250-T281 HydrophobicContact CD1-CG2 4.13Å; L250-T281 HydrophobicContact CD2-CG2 3.93Å; L250-Q283 HydrophobicContact CD2-CB 3.73Å; L250-Q283 HydrophobicContact CD2-CG 4.5Å; L250-L284 HydrophobicContact CD2-CD2 3.92Å; L250-L284 HydrophobicContact CD2-CG 4.01Å; L250-L284 HydrophobicContact CG-CD2 4.1Å; L250-L284 HydrophobicContact CG-CG 4.44Å
251	D	98.8	Very high	98.7	Very high	80 Å²	80	30.3 Å²	30.3	43%	0.428	15%	0.152	S	C	.	.	H	α-helix	trans	-61.5	-28.2	-177.3	-68.1	-19.7	0	0	0	112.6	R216 Q247 I248	R216-D251 IonicContact CZ-OD2 3.8Å; R216-D251 IonicContact NH1-OD2 2.66Å; R216-D251 PolarHBondContact NH1-OD2 3.24Å; R216-D251 IonicContact NH2-OD2 3.74Å; R216-D251 PolarHBondContact NH2-OD2 3.46Å; R216-D251 VanDerWaalsContact NH2-OD2 3.14Å; Q247-D251 PolarHBondContact NE2-OD1 2.95Å; Q247-D251 WeakPolarHBondContact O-CB 3.5Å; Q247-D251 PolarHBondContact O-N 3.32Å; I248-D251 PolarHBondContact O-N 2.87Å
252	Y	98.7	Very high	98.6	Very high	59 Å²	59	30.8 Å²	30.8	23%	0.231	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.7	5.2	-178.4	-64.7	-80.1	0	0	0	114.6	R216 M219 Q220 I248 L250 K254	R216-Y252 HydrophobicContact CB-CE2 4.1Å; R216-Y252 WeakPolarHBondContact CB-OH 3.34Å; R216-Y252 HydrophobicContact CG-CE2 4.1Å; R216-Y252 PolarHBondContact O-OH 2.88Å; M219-Y252 HydrophobicContact CB-CD1 3.78Å; M219-Y252 HydrophobicContact CB-CD2 3.48Å; M219-Y252 VanDerWaalsContact CB-CD2 3.48Å; M219-Y252 HydrophobicContact CB-CE1 4.08Å; M219-Y252 HydrophobicContact CB-CE2 3.81Å; M219-Y252 HydrophobicContact CB-CG 3.47Å; M219-Y252 VanDerWaalsContact CB-CG 3.47Å; M219-Y252 HydrophobicContact CG-CD2 3.65Å; M219-Y252 HydrophobicContact CG-CE2 4.16Å; M219-Y252 HydrophobicContact CG-CG 3.99Å; Q220-Y252 HydrophobicContact CG-CD1 4.43Å; Q220-Y252 HydrophobicContact CG-CE1 3.41Å; Q220-Y252 VanDerWaalsContact CG-CE1 3.41Å; Q220-Y252 PolarHBondContact NE2-OH 2.74Å; I248-Y252 HydrophobicContact CG2-CD2 4.03Å; I248-Y252 HydrophobicContact CG2-CE2 4.24Å; I248-Y252 VanDerWaalsContact O-CD2 3.31Å; I248-Y252 WeakPolarHBondContact O-CD2 3.26Å; I248-Y252 PolarHBondContact O-N 3.25Å; L250-Y252 PolarHBondContact O-N 3.1Å; Y252-K254 VanDerWaalsContact C-N 3.27Å; Y252-K254 WeakPolarHBondContact O-CG 3.3Å; Y252-K254 PolarHBondContact O-N 3.09Å
253	D	98.4	Very high	98.5	Very high	115 Å²	115	33.9 Å²	33.9	62%	0.615	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	37	-176.3	-167.1	40.3	0	0	0	114	A249 L250 K287	A249-D253 CarbonylContact O-C 3.52Å; A249-D253 WeakPolarHBondContact O-CA 3.26Å; A249-D253 PolarHBondContact O-N 3.4Å; L250-D253 PolarHBondContact O-N 2.63Å; D253-K287 PolarHBondContact O-NZ 2.88Å; D253-K287 IonicContact OD1-NZ 2.67Å; D253-K287 PolarHBondContact OD1-NZ 3.42Å; D253-K287 IonicContact OD2-NZ 2.93Å
254	K	98.7	Very high	98.3	Very high	70 Å²	70	34.2 Å²	34.2	30%	0.304	18%	0.178	S	C	.	.			trans	-104.1	168.1	-174.8	-63.7	-51	-177.6	-179.9	0	113.4	M219 H224 A249 Y252	M219-K254 HydrophobicContact SD-CB 4.19Å; M219-K254 HydrophobicContact SD-CG 3.89Å; H224-K254 WeakPolarHBondContact O-CB 3.29Å; A249-K254 PolarHBondContact O-N 2.96Å; Y252-K254 VanDerWaalsContact C-N 3.27Å; Y252-K254 WeakPolarHBondContact O-CG 3.3Å; Y252-K254 PolarHBondContact O-N 3.09Å
255	G	98.8	Very high	98.3	Very high	8 Å²	8	38.8 Å²	38.8	8%	0.082	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	171.2	172.4	0	0	0	0	0	112.8	H224 Y225 V226 K287	H224-G255 PolarHBondContact O-N 3.19Å; Y225-G255 CarbonylContact C-O 3.58Å; Y225-G255 WeakPolarHBondContact CA-O 3.37Å; V226-G255 PolarHBondContact N-O 2.76Å; G255-K287 CarbonylContact C-O 3.48Å; G255-K287 WeakPolarHBondContact CA-O 3.1Å
256	V	99	Very high	98.2	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	135.4	171.2	174	0	0	0	0	109.1	V226 M245 F246 A249 I258 K287 L288 T289	V226-V256 CarbonylContact O-C 3.6Å; V226-V256 VanDerWaalsContact O-CA 3.26Å; V226-V256 WeakPolarHBondContact O-CA 3.14Å; M245-V256 HydrophobicContact CE-CG1 3.56Å; M245-V256 HydrophobicContact CG-CG1 4.21Å; M245-V256 HydrophobicContact SD-CG1 3.58Å; M245-V256 VanDerWaalsContact SD-CG1 3.58Å; F246-V256 HydrophobicContact CD1-CG2 3.95Å; F246-V256 HydrophobicContact CE1-CG2 4.11Å; A249-V256 HydrophobicContact CB-CG2 3.52Å; V256-I258 HydrophobicContact CG1-CB 4.45Å; V256-K287 PolarHBondContact N-O 3.21Å; V256-L288 HydrophobicContact CB-CD1 3.87Å; V256-L288 HydrophobicContact CG1-CD1 3.5Å; V256-T289 PolarHBondContact O-N 2.9Å
257	D	98.9	Very high	98.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	92	170.4	-159.6	-30.6	0	0	0	110.9	R166 H168 V199 Y225 V226 G227 T289 S291	R166-D257 WeakPolarHBondContact CD-OD2 3.49Å; R166-D257 IonicContact CZ-OD2 3.46Å; R166-D257 IonicContact NE-OD2 3.42Å; R166-D257 IonicContact NH1-OD2 3.93Å; R166-D257 PolarHBondContact NH1-OD2 2.92Å; H168-D257 VanDerWaalsContact CE1-CG 3.43Å; H168-D257 IonicContact CE1-OD1 2.67Å; H168-D257 PolarHBondContact CE1-OD1 3.37Å; H168-D257 IonicContact CE1-OD2 3.91Å; H168-D257 IonicContact NE2-OD1 2.89Å; H168-D257 IonicContact NE2-OD2 2.77Å; V199-D257 HydrophobicContact CG1-CB 4Å; V199-D257 HydrophobicContact CG2-CB 3.93Å; Y225-D257 HydrophobicContact CD1-CB 4.41Å; Y225-D257 HydrophobicContact CG-CB 4.5Å; V226-D257 PolarHBondContact O-N 3.01Å; G227-D257 VanDerWaalsContact CA-O 3.28Å; G227-D257 WeakPolarHBondContact CA-O 3.39Å; D257-T289 WeakPolarHBondContact CA-O 3.31Å; D257-T289 WeakPolarHBondContact OD2-CG2 3.37Å; D257-S291 PolarHBondContact OD1-OG 3.28Å
258	I	98.9	Very high	98.2	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	135.6	-171.4	-178.5	169.3	0	0	0	111.8	G228 L242 M245 V256 M274 L288 T289 I290 S291	G228-I258 WeakPolarHBondContact O-CG1 3.36Å; L242-I258 HydrophobicContact CD2-CD1 3.61Å; M245-I258 HydrophobicContact CE-CB 4.22Å; M245-I258 HydrophobicContact CE-CD1 3.82Å; M245-I258 HydrophobicContact SD-CB 3.85Å; M245-I258 HydrophobicContact SD-CD1 3.87Å; M245-I258 HydrophobicContact SD-CG1 4.14Å; V256-I258 HydrophobicContact CG1-CB 4.45Å; I258-M274 HydrophobicContact CD1-SD 4.28Å; I258-M274 HydrophobicContact CG2-CE 4.29Å; I258-M274 HydrophobicContact CG2-SD 3.65Å; I258-L288 HydrophobicContact CG2-CD1 4.35Å; I258-T289 PolarHBondContact N-O 2.84Å; I258-I290 HydrophobicContact CG2-CG2 4.36Å; I258-S291 WeakPolarHBondContact O-CA 3.45Å; I258-S291 WeakPolarHBondContact O-CB 3.13Å; I258-S291 PolarHBondContact O-N 3.3Å
259	H	98.7	Very high	98.2	Very high	3 Å²	3	38.7 Å²	38.7	1%	0.014	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	121.1	167.8	-72	48.7	0	0	0	110.4	H105 H107 H168 F201 G228 L229 D230 H261 H292	H105-H259 AromaticContact CE1-CD2 3.9Å; H105-H259 AromaticContact CE1-CE1 3.17Å; H105-H259 PolarHBondContact CE1-CE1 3.33Å; H105-H259 AromaticContact CE1-ND1 3.73Å; H105-H259 AromaticContact CE1-NE2 3.31Å; H105-H259 PolarHBondContact CE1-NE2 2.95Å; H105-H259 VanDerWaalsContact CE1-NE2 3.31Å; H105-H259 AromaticContact NE2-CE1 3.61Å; H105-H259 AromaticContact NE2-NE2 3.31Å; H105-H259 PolarHBondContact NE2-NE2 2.95Å; H107-H259 AromaticContact CE1-NE2 3.8Å; H107-H259 AromaticContact NE2-NE2 3.48Å; H107-H259 PolarHBondContact NE2-NE2 2.83Å; H168-H259 AromaticContact CE1-CE1 3.61Å; H168-H259 AromaticContact CE1-ND1 3.96Å; H168-H259 AromaticContact CG-CE1 3.65Å; H168-H259 AromaticContact ND1-CE1 3.23Å; H168-H259 PolarHBondContact ND1-CE1 2.83Å; H168-H259 AromaticContact ND1-ND1 3.76Å; F201-H259 AromaticContact CE1-CE1 3.76Å; F201-H259 AromaticContact CE1-NE2 3.59Å; F201-H259 HydrophobicContact CE2-CB 4.11Å; F201-H259 AromaticContact CE2-CE1 3.94Å; F201-H259 AromaticContact CE2-CG 3.74Å; F201-H259 AromaticContact CE2-ND1 3.6Å; F201-H259 HydrophobicContact CZ-CB 4.16Å; F201-H259 AromaticContact CZ-CD2 3.52Å; F201-H259 AromaticContact CZ-CE1 3.65Å; F201-H259 AromaticContact CZ-CG 3.56Å; F201-H259 AromaticContact CZ-ND1 3.67Å; F201-H259 AromaticContact CZ-NE2 3.54Å; G228-H259 PolarHBondContact O-N 2.96Å; L229-H259 HydrophobicContact CD1-CB 3.73Å; D230-H259 PolarHBondContact N-O 2.82Å; H259-H261 AromaticContact CD2-CE1 3.82Å; H259-H261 AromaticContact CD2-NE2 4Å; H259-H292 AromaticContact CD2-CD2 3.9Å; H259-H292 AromaticContact CD2-NE2 3.29Å; H259-H292 PolarHBondContact CD2-NE2 3.2Å; H259-H292 VanDerWaalsContact CD2-NE2 3.29Å; H259-H292 AromaticContact CG-NE2 3.86Å; H259-H292 AromaticContact NE2-NE2 3.84Å
260	L	98.5	Very high	98.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.221	C	C	.	.			trans	-127.7	95.2	175.5	-172.9	70.9	0	0	0	111.3	D230 E262 A270 I271 M274 I290 S291 A293 F294	D230-L260 WeakPolarHBondContact OD1-CA 3.46Å; L260-E262 HydrophobicContact CD1-CB 4.16Å; L260-E262 HydrophobicContact CD1-CG 3.98Å; L260-A270 HydrophobicContact CD1-CB 4.16Å; L260-I271 HydrophobicContact CD2-CD1 3.88Å; L260-I271 HydrophobicContact CD2-CG1 3.37Å; L260-M274 HydrophobicContact CD2-CE 4.1Å; L260-I290 HydrophobicContact CB-CG2 3.93Å; L260-I290 HydrophobicContact CD2-CG2 4.07Å; L260-S291 PolarHBondContact N-O 2.66Å; L260-A293 WeakPolarHBondContact O-CA 3.19Å; L260-A293 PolarHBondContact O-N 3.33Å; L260-A293 VanDerWaalsContact O-N 3.13Å; L260-F294 PolarHBondContact O-N 2.84Å
261	H	96.6	Very high	98.2	Very high	55 Å²	55	35.9 Å²	35.9	26%	0.255	21%	0.206	S	C	.	.			trans	-92.4	-9.9	176.9	-48.1	102.3	0	0	0	113.3	L229 D230 H259 T263 H292 F294	L229-H261 VanDerWaalsContact CD1-CE1 3.47Å; L229-H261 WeakPolarHBondContact CD1-CE1 3.45Å; D230-H261 IonicContact OD1-CG 3.02Å; D230-H261 PolarHBondContact OD1-N 2.61Å; D230-H261 IonicContact OD1-ND1 2.66Å; D230-H261 PolarHBondContact OD1-ND1 3.35Å; D230-H261 IonicContact OD2-CE1 3.19Å; D230-H261 IonicContact OD2-CG 3.2Å; D230-H261 IonicContact OD2-ND1 2.71Å; D230-H261 PolarHBondContact OD2-ND1 3.05Å; H259-H261 AromaticContact CD2-CE1 3.82Å; H259-H261 AromaticContact CD2-NE2 4Å; H261-T263 PolarHBondContact O-N 3.02Å; H261-H292 AromaticContact CD2-CD2 3.59Å; H261-H292 AromaticContact CD2-CG 3.82Å; H261-H292 AromaticContact NE2-CD2 3.24Å; H261-H292 PolarHBondContact NE2-CD2 2.89Å; H261-H292 AromaticContact NE2-CG 3.88Å; H261-H292 AromaticContact NE2-NE2 3.37Å; H261-H292 PolarHBondContact NE2-NE2 2.9Å; H261-F294 HydrophobicContact CB-CD2 4.08Å; H261-F294 HydrophobicContact CB-CE2 4.37Å; H261-F294 AromaticContact CD2-CE2 3.83Å
262	E	96.7	Very high	98.2	Very high	11 Å²	11	34.3 Å²	34.3	5%	0.051	20%	0.198	C	C	.	.			trans	-62	122.9	-175.1	-52.7	-168.1	126.5	0	0	111.5	D230 T232 S233 L260 A295	D230-E262 HydrophobicContact CB-CG 3.9Å; T232-E262 WeakPolarHBondContact CA-OE1 3.49Å; T232-E262 WeakPolarHBondContact CB-OE1 3.41Å; T232-E262 PolarHBondContact N-OE1 3.39Å; T232-E262 PolarHBondContact OG1-OE2 2.85Å; T232-E262 VanDerWaalsContact OG1-OE2 3.1Å; S233-E262 VanDerWaalsContact CB-OE1 3.26Å; S233-E262 WeakPolarHBondContact CB-OE1 3.46Å; S233-E262 PolarHBondContact N-OE1 2.85Å; S233-E262 PolarHBondContact OG-OE1 3.35Å; L260-E262 HydrophobicContact CD1-CB 4.16Å; L260-E262 HydrophobicContact CD1-CG 3.98Å; E262-A295 WeakPolarHBondContact O-CA 3.3Å; E262-A295 WeakPolarHBondContact O-CB 3.39Å; E262-A295 PolarHBondContact O-N 3.45Å
263	T	96	Very high	98.2	Very high	65 Å²	65	33.8 Å²	33.8	40%	0.399	20%	0.196	S	C	.	.			trans	-110	3.8	178.3	53.4	0	0	0	0	113	H261 F294 T298 L327	H261-T263 PolarHBondContact O-N 3.02Å; T263-F294 HydrophobicContact CG2-CB 3.68Å; T263-T298 WeakPolarHBondContact O-CG2 3.37Å; T263-L327 HydrophobicContact CG2-CD2 3.91Å
264	T	95.8	Very high	98.2	Very high	79 Å²	79	28.3 Å²	28.3	49%	0.485	17%	0.167	S	C	.	.	S	Bend	trans	-82.4	170.3	172.8	68.7	0	0	0	0	109.7	A266 G267	T264-A266 PolarHBondContact O-N 3.02Å; T264-A266 WeakPolarHBondContact OG1-CB 3.46Å; T264-A266 PolarHBondContact OG1-N 3.13Å; T264-G267 PolarHBondContact O-N 2.96Å
265	P	97.8	Very high	98.2	Very high	113 Å²	113	25 Å²	25	73%	0.734	15%	0.152	S	C	*	.	H	α-helix	trans	-53	-22.8	172	-29.2	37.1	0	0	0	114.4	G267 V268 A269	P265-G267 VanDerWaalsContact C-N 3.34Å; P265-V268 PolarHBondContact O-N 3.39Å; P265-A269 PolarHBondContact O-N 3.01Å
266	A	97.9	Very high	98.2	Very high	26 Å²	26	28.2 Å²	28.2	22%	0.215	17%	0.165	C	C	.	.	H	α-helix	trans	-65.1	-35.5	174.3	0	0	0	0	0	112.8	T232 T264 V268 A269 A270	T232-A266 HydrophobicContact CG2-CB 3.88Å; T264-A266 PolarHBondContact O-N 3.02Å; T264-A266 WeakPolarHBondContact OG1-CB 3.46Å; T264-A266 PolarHBondContact OG1-N 3.13Å; A266-V268 VanDerWaalsContact C-N 3.35Å; A266-V268 PolarHBondContact O-N 3.02Å; A266-A269 WeakPolarHBondContact O-CB 3.14Å; A266-A269 PolarHBondContact O-N 3.22Å; A266-A270 WeakPolarHBondContact O-CB 3.38Å; A266-A270 PolarHBondContact O-N 2.96Å
267	G	98.4	Very high	98.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-65.1	-39.9	175.4	0	0	0	0	0	112	T264 P265 A270 I271 A295	T264-G267 PolarHBondContact O-N 2.96Å; P265-G267 VanDerWaalsContact C-N 3.34Å; G267-A270 PolarHBondContact O-N 2.7Å; G267-I271 WeakPolarHBondContact O-CG1 3.45Å; G267-I271 PolarHBondContact O-N 2.66Å; G267-A295 VanDerWaalsContact C-CB 3.44Å
268	V	98.5	Very high	98.2	Very high	25 Å²	25	29.1 Å²	29.1	15%	0.152	17%	0.171	C	C	.	.	H	α-helix	trans	-64.8	-41.2	173.1	176.5	0	0	0	0	110.9	P265 A266 A270 I271 N272 A295 L299	P265-V268 PolarHBondContact O-N 3.39Å; A266-V268 VanDerWaalsContact C-N 3.35Å; A266-V268 PolarHBondContact O-N 3.02Å; V268-A270 VanDerWaalsContact C-N 3.34Å; V268-A270 PolarHBondContact O-N 3.05Å; V268-I271 PolarHBondContact O-N 3.26Å; V268-N272 PolarHBondContact O-N 3.38Å; V268-N272 PolarHBondContact O-ND2 2.9Å; V268-A295 HydrophobicContact CG2-CB 3.97Å; V268-L299 HydrophobicContact CG1-CD2 3.87Å; V268-L299 HydrophobicContact CG2-CD2 3.76Å; V268-L299 HydrophobicContact CG2-CG 4.25Å
269	A	98.7	Very high	98.2	Very high	44 Å²	44	32.6 Å²	32.6	36%	0.364	19%	0.187	S	C	.	.	H	α-helix	trans	-61.4	-41.6	175	0	0	0	0	0	111.7	M238 P265 A266 N272 Y273	M238-A269 HydrophobicContact SD-CB 4.15Å; P265-A269 PolarHBondContact O-N 3.01Å; A266-A269 WeakPolarHBondContact O-CB 3.14Å; A266-A269 PolarHBondContact O-N 3.22Å; A269-N272 PolarHBondContact O-N 2.93Å; A269-Y273 WeakPolarHBondContact O-CB 3.22Å; A269-Y273 PolarHBondContact O-N 3.11Å
270	A	98.8	Very high	98.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.9	-43.1	176.7	0	0	0	0	0	112.1	P231 M238 L242 L260 A266 G267 V268 Y273 M274	P231-A270 HydrophobicContact CG-CB 4.07Å; M238-A270 HydrophobicContact CG-CB 4.08Å; M238-A270 VanDerWaalsContact SD-CA 3.55Å; M238-A270 HydrophobicContact SD-CB 3.85Å; L242-A270 HydrophobicContact CD1-CB 4.37Å; L260-A270 HydrophobicContact CD1-CB 4.16Å; A266-A270 WeakPolarHBondContact O-CB 3.38Å; A266-A270 PolarHBondContact O-N 2.96Å; G267-A270 PolarHBondContact O-N 2.7Å; V268-A270 VanDerWaalsContact C-N 3.34Å; V268-A270 PolarHBondContact O-N 3.05Å; A270-Y273 PolarHBondContact O-N 3.06Å; A270-M274 VanDerWaalsContact O-CG 3.31Å; A270-M274 WeakPolarHBondContact O-CG 3.44Å; A270-M274 PolarHBondContact O-N 3.01Å
271	I	98.9	Very high	98.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59.9	-49.3	174.7	-66	178.9	0	0	0	110.7	L260 G267 V268 Y273 M274 V275 I290 A293 A295 L296 L307 M311	L260-I271 HydrophobicContact CD2-CD1 3.88Å; L260-I271 HydrophobicContact CD2-CG1 3.37Å; G267-I271 WeakPolarHBondContact O-CG1 3.45Å; G267-I271 PolarHBondContact O-N 2.66Å; V268-I271 PolarHBondContact O-N 3.26Å; I271-Y273 VanDerWaalsContact C-N 3.33Å; I271-Y273 PolarHBondContact O-N 2.93Å; I271-M274 HydrophobicContact CG1-CE 4.33Å; I271-M274 PolarHBondContact O-N 3.4Å; I271-V275 HydrophobicContact CG2-CG2 4.31Å; I271-V275 VanDerWaalsContact O-CG2 3.29Å; I271-V275 WeakPolarHBondContact O-CG2 3.42Å; I271-V275 PolarHBondContact O-N 3.02Å; I271-I290 HydrophobicContact CG1-CD1 4.41Å; I271-I290 HydrophobicContact CG2-CD1 4.25Å; I271-A293 HydrophobicContact CD1-CB 4.45Å; I271-A295 HydrophobicContact CD1-CB 3.85Å; I271-L296 HydrophobicContact CD1-CD1 4.49Å; I271-L296 HydrophobicContact CD1-CD2 3.64Å; I271-L296 HydrophobicContact CD1-CG 3.69Å; I271-L296 HydrophobicContact CG2-CD2 4.5Å; I271-L307 HydrophobicContact CG2-CD1 4.14Å; I271-L307 HydrophobicContact CG2-CD2 3.73Å; I271-M311 HydrophobicContact CG2-CE 3.6Å
272	N	98.8	Very high	98.2	Very high	47 Å²	47	43 Å²	43	25%	0.251	24%	0.244	S	C	.	.	H	α-helix	trans	-60.2	-44	178.9	-78.5	-56.2	0	0	0	111.9	V268 A269 M274 V275 E276 R310	V268-N272 PolarHBondContact O-N 3.38Å; V268-N272 PolarHBondContact O-ND2 2.9Å; A269-N272 PolarHBondContact O-N 2.93Å; N272-M274 PolarHBondContact O-N 2.9Å; N272-V275 PolarHBondContact O-N 3.49Å; N272-E276 WeakPolarHBondContact O-CB 3.37Å; N272-E276 WeakPolarHBondContact O-CG 3.25Å; N272-E276 PolarHBondContact O-N 3.02Å; N272-R310 PolarHBondContact OD1-NH1 3.13Å
273	Y	98.9	Very high	98.3	Very high	48 Å²	48	48.1 Å²	48.1	19%	0.188	27%	0.268	C	S	.	.	H	α-helix	trans	-59.4	-47.1	176.9	-169.8	-88.1	0	0	0	111.5	M238 E239 L242 D243 A269 A270 I271 V275 E276 T277	M238-Y273 HydrophobicContact CE-CD2 4Å; M238-Y273 HydrophobicContact CE-CG 3.98Å; E239-Y273 HydrophobicContact CB-CE2 4.12Å; E239-Y273 HydrophobicContact CG-CD2 4.12Å; E239-Y273 HydrophobicContact CG-CE2 3.65Å; L242-Y273 HydrophobicContact CB-CD1 4.01Å; L242-Y273 HydrophobicContact CB-CE1 4Å; L242-Y273 HydrophobicContact CD1-CD1 3.52Å; L242-Y273 HydrophobicContact CD1-CE1 4.3Å; L242-Y273 HydrophobicContact CD1-CG 4.14Å; L242-Y273 HydrophobicContact CG-CD1 4.42Å; D243-Y273 VanDerWaalsContact CG-OH 3.24Å; D243-Y273 VanDerWaalsContact OD1-CE1 3.31Å; D243-Y273 WeakPolarHBondContact OD1-CE1 3.34Å; D243-Y273 PolarHBondContact OD1-OH 3.18Å; D243-Y273 PolarHBondContact OD2-OH 3.32Å; A269-Y273 WeakPolarHBondContact O-CB 3.22Å; A269-Y273 PolarHBondContact O-N 3.11Å; A270-Y273 PolarHBondContact O-N 3.06Å; I271-Y273 VanDerWaalsContact C-N 3.33Å; I271-Y273 PolarHBondContact O-N 2.93Å; Y273-V275 PolarHBondContact O-N 3.44Å; Y273-E276 PolarHBondContact O-N 2.64Å; Y273-T277 WeakPolarHBondContact O-CB 3.42Å; Y273-T277 PolarHBondContact O-N 2.78Å; Y273-T277 PolarHBondContact O-OG1 2.57Å; Y273-T277 VanDerWaalsContact O-OG1 3.05Å
274	M	98.9	Very high	98.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.1	-44.3	176.9	-71.6	-172.9	-73.5	0	0	112.6	L242 F246 I258 L260 A270 I271 N272 T277 V278 L288 I290	L242-M274 HydrophobicContact CD1-CG 3.91Å; L242-M274 HydrophobicContact CD2-CG 3.76Å; L242-M274 HydrophobicContact CD2-SD 3.83Å; L242-M274 HydrophobicContact CG-CG 4.4Å; F246-M274 HydrophobicContact CE2-CB 4.3Å; F246-M274 HydrophobicContact CE2-CG 3.93Å; F246-M274 HydrophobicContact CZ-CB 4.01Å; F246-M274 HydrophobicContact CZ-CG 3.89Å; I258-M274 HydrophobicContact CD1-SD 4.28Å; I258-M274 HydrophobicContact CG2-CE 4.29Å; I258-M274 HydrophobicContact CG2-SD 3.65Å; L260-M274 HydrophobicContact CD2-CE 4.1Å; A270-M274 VanDerWaalsContact O-CG 3.31Å; A270-M274 WeakPolarHBondContact O-CG 3.44Å; A270-M274 PolarHBondContact O-N 3.01Å; I271-M274 HydrophobicContact CG1-CE 4.33Å; I271-M274 PolarHBondContact O-N 3.4Å; N272-M274 PolarHBondContact O-N 2.9Å; M274-T277 PolarHBondContact O-N 2.9Å; M274-V278 WeakPolarHBondContact O-CG2 3.42Å; M274-V278 PolarHBondContact O-N 2.98Å; M274-V278 VanDerWaalsContact O-N 3.1Å; M274-L288 HydrophobicContact CB-CD2 3.86Å; M274-L288 HydrophobicContact SD-CD1 4.37Å; M274-I290 HydrophobicContact CE-CD1 3.76Å; M274-I290 HydrophobicContact CE-CG1 3.96Å; M274-I290 HydrophobicContact CE-CG2 4.07Å; M274-I290 HydrophobicContact SD-CG1 4.38Å
275	V	98.8	Very high	98.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62	-45.3	177.2	175.3	0	0	0	0	110.7	I271 N272 Y273 T277 V278 E279 L307 R310 M311 I316	I271-V275 HydrophobicContact CG2-CG2 4.31Å; I271-V275 VanDerWaalsContact O-CG2 3.29Å; I271-V275 WeakPolarHBondContact O-CG2 3.42Å; I271-V275 PolarHBondContact O-N 3.02Å; N272-V275 PolarHBondContact O-N 3.49Å; Y273-V275 PolarHBondContact O-N 3.44Å; V275-T277 VanDerWaalsContact C-N 3.34Å; V275-T277 PolarHBondContact O-N 3.17Å; V275-V278 PolarHBondContact O-N 3.39Å; V275-E279 WeakPolarHBondContact O-CG 3.47Å; V275-E279 PolarHBondContact O-N 2.89Å; V275-L307 HydrophobicContact CG2-CD2 3.93Å; V275-R310 HydrophobicContact CG1-CB 3.69Å; V275-M311 HydrophobicContact CG2-CE 4.33Å; V275-M311 HydrophobicContact CG2-CG 4.27Å; V275-I316 HydrophobicContact CB-CD1 4.22Å; V275-I316 HydrophobicContact CG1-CD1 4.32Å; V275-I316 HydrophobicContact CG2-CD1 3.77Å
276	E	98.8	Very high	98.6	Very high	75 Å²	75	42.4 Å²	42.4	35%	0.35	23%	0.231	S	C	.	.	H	α-helix	trans	-62	-39	176.2	-75.7	-174.9	-150.9	0	0	113.1	N272 Y273 V278 E279 K280	N272-E276 WeakPolarHBondContact O-CB 3.37Å; N272-E276 WeakPolarHBondContact O-CG 3.25Å; N272-E276 PolarHBondContact O-N 3.02Å; Y273-E276 PolarHBondContact O-N 2.64Å; E276-V278 VanDerWaalsContact C-N 3.34Å; E276-E279 PolarHBondContact O-N 3.46Å; E276-K280 WeakPolarHBondContact O-CB 3.11Å; E276-K280 WeakPolarHBondContact O-CD 3.33Å; E276-K280 VanDerWaalsContact O-CG 3.28Å; E276-K280 WeakPolarHBondContact O-CG 3.38Å; E276-K280 PolarHBondContact O-N 3.02Å; E276-K280 IonicContact OE2-NZ 2.96Å; E276-K280 PolarHBondContact OE2-NZ 3.29Å
277	T	98.9	Very high	98.7	Very high	20 Å²	20	43.8 Å²	43.8	12%	0.123	23%	0.232	C	C	.	.	H	α-helix	trans	-64.2	-40.9	177.4	-65.4	0	0	0	0	111.2	F246 Y273 M274 V275 K280 T281 L284	F246-T277 HydrophobicContact CD2-CG2 3.6Å; F246-T277 HydrophobicContact CE2-CG2 3.86Å; F246-T277 HydrophobicContact CG-CG2 4Å; F246-T277 HydrophobicContact CZ-CG2 4.45Å; Y273-T277 WeakPolarHBondContact O-CB 3.42Å; Y273-T277 PolarHBondContact O-N 2.78Å; Y273-T277 PolarHBondContact O-OG1 2.57Å; Y273-T277 VanDerWaalsContact O-OG1 3.05Å; M274-T277 PolarHBondContact O-N 2.9Å; V275-T277 VanDerWaalsContact C-N 3.34Å; V275-T277 PolarHBondContact O-N 3.17Å; T277-K280 PolarHBondContact O-N 2.76Å; T277-T281 WeakPolarHBondContact O-CB 3.17Å; T277-T281 PolarHBondContact O-N 3.24Å; T277-T281 PolarHBondContact O-OG1 3.34Å; T277-L284 HydrophobicContact CG2-CD1 4.07Å
278	V	98.8	Very high	98.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-66.7	-41.6	174.4	-179.9	0	0	0	0	111.3	M274 V275 E276 K280 T281 L284 L288 Q314 I316	M274-V278 WeakPolarHBondContact O-CG2 3.42Å; M274-V278 PolarHBondContact O-N 2.98Å; M274-V278 VanDerWaalsContact O-N 3.1Å; V275-V278 PolarHBondContact O-N 3.39Å; E276-V278 VanDerWaalsContact C-N 3.34Å; V278-K280 VanDerWaalsContact C-N 3.25Å; V278-K280 PolarHBondContact O-N 2.95Å; V278-T281 CarbonylContact O-C 3.42Å; V278-T281 PolarHBondContact O-N 2.72Å; V278-T281 VanDerWaalsContact O-N 3.13Å; V278-L284 HydrophobicContact CB-CB 4.47Å; V278-L284 HydrophobicContact CG1-CB 4.26Å; V278-L284 HydrophobicContact CG2-CB 4.06Å; V278-L288 HydrophobicContact CG2-CB 4.19Å; V278-L288 HydrophobicContact CG2-CD2 3.87Å; V278-Q314 HydrophobicContact CG1-CB 3.78Å; V278-Q314 HydrophobicContact CG1-CG 4.17Å; V278-I316 HydrophobicContact CB-CD1 4.3Å; V278-I316 HydrophobicContact CG2-CD1 4.24Å
279	E	98.7	Very high	98.7	Very high	73 Å²	73	43 Å²	43	34%	0.341	23%	0.227	S	C	.	.	H	α-helix	trans	-58	-37.3	175.4	-75	168.2	168.7	0	0	112.6	V275 E276 R310 Q314	V275-E279 WeakPolarHBondContact O-CG 3.47Å; V275-E279 PolarHBondContact O-N 2.89Å; E276-E279 PolarHBondContact O-N 3.46Å; E279-R310 VanDerWaalsContact CD-NH2 3.32Å; E279-R310 IonicContact OE1-CZ 2.7Å; E279-R310 IonicContact OE1-NE 3.01Å; E279-R310 PolarHBondContact OE1-NE 2.84Å; E279-R310 IonicContact OE1-NH2 3.01Å; E279-R310 PolarHBondContact OE1-NH2 2.91Å; E279-R310 IonicContact OE2-CZ 2.61Å; E279-R310 IonicContact OE2-NE 3.27Å; E279-R310 IonicContact OE2-NH2 3.4Å; E279-R310 PolarHBondContact OE2-NH2 3.49Å; E279-Q314 HydrophobicContact CG-CG 3.77Å
280	K	98.6	Very high	98.7	Very high	148 Å²	148	40.9 Å²	40.9	64%	0.643	21%	0.21	S	C	*	.	H	α-helix	trans	-85.1	-12.9	179.6	-66.2	164.7	-167.7	160.3	0	113.3	E276 T277 V278	E276-K280 WeakPolarHBondContact O-CB 3.11Å; E276-K280 WeakPolarHBondContact O-CD 3.33Å; E276-K280 VanDerWaalsContact O-CG 3.28Å; E276-K280 WeakPolarHBondContact O-CG 3.38Å; E276-K280 PolarHBondContact O-N 3.02Å; E276-K280 IonicContact OE2-NZ 2.96Å; E276-K280 PolarHBondContact OE2-NZ 3.29Å; T277-K280 PolarHBondContact O-N 2.76Å; V278-K280 VanDerWaalsContact C-N 3.25Å; V278-K280 PolarHBondContact O-N 2.95Å
281	T	98.6	Very high	98.7	Very high	30 Å²	30	40.9 Å²	40.9	18%	0.184	21%	0.21	C	C	.	.			trans	-130.9	86	-171.8	-45.9	0	0	0	0	110.9	L250 T277 V278 Q283 L284	L250-T281 HydrophobicContact CD1-CG2 4.13Å; L250-T281 HydrophobicContact CD2-CG2 3.93Å; T277-T281 WeakPolarHBondContact O-CB 3.17Å; T277-T281 PolarHBondContact O-N 3.24Å; T277-T281 PolarHBondContact O-OG1 3.34Å; V278-T281 CarbonylContact O-C 3.42Å; V278-T281 PolarHBondContact O-N 2.72Å; V278-T281 VanDerWaalsContact O-N 3.13Å; T281-Q283 PolarHBondContact O-N 2.97Å; T281-L284 HydrophobicContact CG2-CD1 3.96Å; T281-L284 HydrophobicContact CG2-CG 3.96Å; T281-L284 WeakPolarHBondContact O-CB 3.1Å; T281-L284 PolarHBondContact O-N 3.41Å
282	P	97.8	Very high	98.7	Very high	99 Å²	99	41 Å²	41	64%	0.643	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-54.2	-27.6	-173.9	-29.1	36	0	0	0	115.4	L284 K285	P282-L284 PolarHBondContact O-N 2.76Å; P282-K285 WeakPolarHBondContact O-CB 3.48Å; P282-K285 PolarHBondContact O-N 2.91Å
283	Q	98.5	Very high	98.6	Very high	119 Å²	119	38.8 Å²	38.8	56%	0.556	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-63.5	-22	177.3	-61.2	84.5	-11.4	0	0	113.2	L250 T281 K287	L250-Q283 HydrophobicContact CD2-CB 3.73Å; L250-Q283 HydrophobicContact CD2-CG 4.5Å; T281-Q283 PolarHBondContact O-N 2.97Å; Q283-K287 WeakPolarHBondContact O-CD 3.47Å
284	L	98.8	Very high	98.6	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.01	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-91.6	-7	178.8	-63.9	176.2	0	0	0	113.4	F246 A249 L250 T277 V278 T281 P282 G286 K287	F246-L284 HydrophobicContact CB-CD1 4.21Å; F246-L284 HydrophobicContact CD1-CD1 3.46Å; F246-L284 VanDerWaalsContact CD1-CD1 3.46Å; F246-L284 HydrophobicContact CD1-CD2 4.1Å; F246-L284 HydrophobicContact CD1-CG 4.4Å; F246-L284 HydrophobicContact CE1-CD1 3.99Å; F246-L284 HydrophobicContact CG-CD1 3.97Å; A249-L284 HydrophobicContact CB-CD2 4.48Å; L250-L284 HydrophobicContact CD2-CD2 3.92Å; L250-L284 HydrophobicContact CD2-CG 4.01Å; L250-L284 HydrophobicContact CG-CD2 4.1Å; L250-L284 HydrophobicContact CG-CG 4.44Å; T277-L284 HydrophobicContact CG2-CD1 4.07Å; V278-L284 HydrophobicContact CB-CB 4.47Å; V278-L284 HydrophobicContact CG1-CB 4.26Å; V278-L284 HydrophobicContact CG2-CB 4.06Å; T281-L284 HydrophobicContact CG2-CD1 3.96Å; T281-L284 HydrophobicContact CG2-CG 3.96Å; T281-L284 WeakPolarHBondContact O-CB 3.1Å; T281-L284 PolarHBondContact O-N 3.41Å; P282-L284 PolarHBondContact O-N 2.76Å; L284-G286 PolarHBondContact O-N 2.79Å; L284-K287 WeakPolarHBondContact O-CB 3.34Å; L284-K287 PolarHBondContact O-N 3.43Å
285	K	98.6	Very high	98.5	Very high	93 Å²	93	37.7 Å²	37.7	40%	0.404	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	129.4	178.3	-178	170.7	178.5	159.7	0	110.3	P282 K287 V313	P282-K285 WeakPolarHBondContact O-CB 3.48Å; P282-K285 PolarHBondContact O-N 2.91Å; K285-K287 PolarHBondContact O-N 2.88Å; K285-V313 WeakPolarHBondContact CE-O 3.41Å; K285-V313 PolarHBondContact NZ-O 3.43Å
286	G	98.6	Very high	98.5	Very high	41 Å²	41	37.8 Å²	37.8	42%	0.423	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	7.9	-177.4	0	0	0	0	0	115.2	L284 Q314 Q315	L284-G286 PolarHBondContact O-N 2.79Å; G286-Q314 PolarHBondContact N-O 3.35Å; G286-Q315 WeakPolarHBondContact CA-O 3.27Å
287	K	98.7	Very high	98.4	Very high	56 Å²	56	35.6 Å²	35.6	24%	0.243	19%	0.19	C	C	.	.			trans	-114.2	-0.4	-175.6	-66.3	-164.2	-178.4	-172.4	0	114.7	D253 G255 V256 Q283 L284 K285	D253-K287 PolarHBondContact O-NZ 2.88Å; D253-K287 IonicContact OD1-NZ 2.67Å; D253-K287 PolarHBondContact OD1-NZ 3.42Å; D253-K287 IonicContact OD2-NZ 2.93Å; G255-K287 CarbonylContact C-O 3.48Å; G255-K287 WeakPolarHBondContact CA-O 3.1Å; V256-K287 PolarHBondContact N-O 3.21Å; Q283-K287 WeakPolarHBondContact O-CD 3.47Å; L284-K287 WeakPolarHBondContact O-CB 3.34Å; L284-K287 PolarHBondContact O-N 3.43Å; K285-K287 PolarHBondContact O-N 2.88Å
288	L	98.9	Very high	98.3	Very high	2 Å²	2	38 Å²	38	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	122.3	179.2	173.9	64.5	0	0	0	111.4	F246 V256 I258 M274 V278 I290 I316 S317	F246-L288 HydrophobicContact CE1-CD1 4.23Å; F246-L288 HydrophobicContact CZ-CD1 4.33Å; F246-L288 HydrophobicContact CZ-CD2 4.23Å; V256-L288 HydrophobicContact CB-CD1 3.87Å; V256-L288 HydrophobicContact CG1-CD1 3.5Å; I258-L288 HydrophobicContact CG2-CD1 4.35Å; M274-L288 HydrophobicContact CB-CD2 3.86Å; M274-L288 HydrophobicContact SD-CD1 4.37Å; V278-L288 HydrophobicContact CG2-CB 4.19Å; V278-L288 HydrophobicContact CG2-CD2 3.87Å; L288-I290 HydrophobicContact CD1-CG1 4.3Å; L288-I290 HydrophobicContact CD2-CD1 4.44Å; L288-I290 HydrophobicContact CD2-CG1 4.25Å; L288-I290 HydrophobicContact CG-CG1 4.16Å; L288-I316 HydrophobicContact CB-CG1 4.27Å; L288-I316 HydrophobicContact CD2-CD1 4.03Å; L288-I316 HydrophobicContact CD2-CG1 4.13Å; L288-I316 HydrophobicContact CD2-CG2 4.07Å; L288-I316 HydrophobicContact CG-CG2 4.12Å; L288-I316 WeakPolarHBondContact O-CA 3.32Å; L288-S317 PolarHBondContact O-N 3.47Å
289	T	98.9	Very high	98.2	Very high	6 Å²	6	39.2 Å²	39.2	4%	0.037	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	133.2	160.4	-62.4	0	0	0	0	109.3	R166 V256 D257 I258 S317 A319 M342	R166-T289 PolarHBondContact NH1-OG1 2.85Å; R166-T289 VanDerWaalsContact NH1-OG1 3.13Å; V256-T289 PolarHBondContact O-N 2.9Å; D257-T289 WeakPolarHBondContact CA-O 3.31Å; D257-T289 WeakPolarHBondContact OD2-CG2 3.37Å; I258-T289 PolarHBondContact N-O 2.84Å; T289-S317 CarbonylContact C-O 3.58Å; T289-S317 WeakPolarHBondContact CA-O 3.36Å; T289-A319 HydrophobicContact CG2-CB 3.78Å; T289-M342 HydrophobicContact CG2-CE 3.79Å
290	I	98.9	Very high	98.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	107.6	168.5	-49	170.9	0	0	0	107.4	I258 L260 I271 M274 L288 A293 M311 I316 S317 I318 A319	I258-I290 HydrophobicContact CG2-CG2 4.36Å; L260-I290 HydrophobicContact CB-CG2 3.93Å; L260-I290 HydrophobicContact CD2-CG2 4.07Å; I271-I290 HydrophobicContact CG1-CD1 4.41Å; I271-I290 HydrophobicContact CG2-CD1 4.25Å; M274-I290 HydrophobicContact CE-CD1 3.76Å; M274-I290 HydrophobicContact CE-CG1 3.96Å; M274-I290 HydrophobicContact CE-CG2 4.07Å; M274-I290 HydrophobicContact SD-CG1 4.38Å; L288-I290 HydrophobicContact CD1-CG1 4.3Å; L288-I290 HydrophobicContact CD2-CD1 4.44Å; L288-I290 HydrophobicContact CD2-CG1 4.25Å; L288-I290 HydrophobicContact CG-CG1 4.16Å; I290-A293 HydrophobicContact CB-CB 4.32Å; I290-A293 HydrophobicContact CG2-CB 3.74Å; I290-M311 HydrophobicContact CD1-CE 4.19Å; I290-I316 HydrophobicContact CD1-CG2 4.19Å; I290-I316 HydrophobicContact CG1-CG2 4.34Å; I290-S317 PolarHBondContact N-O 3.43Å; I290-I318 HydrophobicContact CB-CD1 3.92Å; I290-I318 HydrophobicContact CD1-CD1 4.4Å; I290-I318 WeakPolarHBondContact O-CA 3.48Å; I290-A319 PolarHBondContact O-N 3.12Å; I290-A319 VanDerWaalsContact O-N 3.14Å
291	S	98.7	Very high	98.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	139	177.3	-76.9	0	0	0	0	111.6	H105 D257 I258 L260 A293 A319	H105-S291 WeakPolarHBondContact CE1-CB 3.19Å; H105-S291 PolarHBondContact CE1-OG 3.49Å; H105-S291 VanDerWaalsContact ND1-CB 3.34Å; H105-S291 WeakPolarHBondContact ND1-CB 3.46Å; H105-S291 PolarHBondContact ND1-OG 2.96Å; D257-S291 PolarHBondContact OD1-OG 3.28Å; I258-S291 WeakPolarHBondContact O-CA 3.45Å; I258-S291 WeakPolarHBondContact O-CB 3.13Å; I258-S291 PolarHBondContact O-N 3.3Å; L260-S291 PolarHBondContact N-O 2.66Å; S291-A293 PolarHBondContact O-N 3.42Å; S291-A319 CarbonylContact C-O 3.58Å; S291-A319 WeakPolarHBondContact CA-O 3.44Å
292	H	97.7	Very high	98.1	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.009	25%	0.245	C	C	.	.	S	Bend	trans	65	-57.4	-170.3	-44.6	-72.4	0	0	0	114	H105 H259 H261 F294 A319 M329 D346	H105-H292 AromaticContact CE1-CE1 3.83Å; H105-H292 AromaticContact CE1-NE2 3.4Å; H105-H292 PolarHBondContact CE1-NE2 2.89Å; H105-H292 AromaticContact NE2-CE1 3.44Å; H105-H292 PolarHBondContact NE2-CE1 2.91Å; H105-H292 AromaticContact NE2-NE2 3.31Å; H105-H292 PolarHBondContact NE2-NE2 3.27Å; H259-H292 AromaticContact CD2-CD2 3.9Å; H259-H292 AromaticContact CD2-NE2 3.29Å; H259-H292 PolarHBondContact CD2-NE2 3.2Å; H259-H292 VanDerWaalsContact CD2-NE2 3.29Å; H259-H292 AromaticContact CG-NE2 3.86Å; H259-H292 AromaticContact NE2-NE2 3.84Å; H261-H292 AromaticContact CD2-CD2 3.59Å; H261-H292 AromaticContact CD2-CG 3.82Å; H261-H292 AromaticContact NE2-CD2 3.24Å; H261-H292 PolarHBondContact NE2-CD2 2.89Å; H261-H292 AromaticContact NE2-CG 3.88Å; H261-H292 AromaticContact NE2-NE2 3.37Å; H261-H292 PolarHBondContact NE2-NE2 2.9Å; H292-F294 HydrophobicContact CB-CD1 3.96Å; H292-F294 HydrophobicContact CB-CD2 4.26Å; H292-F294 HydrophobicContact CB-CE1 3.72Å; H292-F294 HydrophobicContact CB-CE2 4.03Å; H292-F294 HydrophobicContact CB-CG 4.21Å; H292-F294 HydrophobicContact CB-CZ 3.76Å; H292-F294 PolarHBondContact O-N 3.38Å; H292-A319 PolarHBondContact N-O 3.18Å; H292-M329 WeakPolarHBondContact O-CE 3.25Å; H292-D346 IonicContact CE1-OD2 3.28Å; H292-D346 PolarHBondContact CE1-OD2 3.38Å
293	A	97.9	Very high	98.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.234	C	C	.	.			trans	50.8	38.8	179.5	0	0	0	0	0	113.6	L260 I271 I290 S291 A295 L296 I318 M329	L260-A293 WeakPolarHBondContact O-CA 3.19Å; L260-A293 PolarHBondContact O-N 3.33Å; L260-A293 VanDerWaalsContact O-N 3.13Å; I271-A293 HydrophobicContact CD1-CB 4.45Å; I290-A293 HydrophobicContact CB-CB 4.32Å; I290-A293 HydrophobicContact CG2-CB 3.74Å; S291-A293 PolarHBondContact O-N 3.42Å; A293-A295 PolarHBondContact O-N 3.47Å; A293-L296 HydrophobicContact CB-CD1 3.8Å; A293-L296 HydrophobicContact CB-CG 4.18Å; A293-L296 WeakPolarHBondContact O-CB 3.29Å; A293-L296 WeakPolarHBondContact O-CG 3.47Å; A293-L296 PolarHBondContact O-N 2.86Å; A293-I318 HydrophobicContact CB-CD1 4Å; A293-I318 HydrophobicContact CB-CG2 4.32Å; A293-M329 HydrophobicContact CB-CE 4.41Å; A293-M329 WeakPolarHBondContact O-CE 3.46Å
294	F	97.9	Very high	98.1	Very high	26 Å²	26	39.6 Å²	39.6	11%	0.114	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-59.2	-24.2	-169.7	-65.6	-31.3	0	0	0	114.3	L260 H261 T263 H292 L296 A297 P323 L327 M329	L260-F294 PolarHBondContact O-N 2.84Å; H261-F294 HydrophobicContact CB-CD2 4.08Å; H261-F294 HydrophobicContact CB-CE2 4.37Å; H261-F294 AromaticContact CD2-CE2 3.83Å; T263-F294 HydrophobicContact CG2-CB 3.68Å; H292-F294 HydrophobicContact CB-CD1 3.96Å; H292-F294 HydrophobicContact CB-CD2 4.26Å; H292-F294 HydrophobicContact CB-CE1 3.72Å; H292-F294 HydrophobicContact CB-CE2 4.03Å; H292-F294 HydrophobicContact CB-CG 4.21Å; H292-F294 HydrophobicContact CB-CZ 3.76Å; H292-F294 PolarHBondContact O-N 3.38Å; F294-L296 PolarHBondContact O-N 3.44Å; F294-L296 VanDerWaalsContact O-N 3.14Å; F294-A297 WeakPolarHBondContact O-CB 3.27Å; F294-A297 PolarHBondContact O-N 3.1Å; F294-P323 HydrophobicContact CD1-CG 4.39Å; F294-P323 HydrophobicContact CE1-CB 4.17Å; F294-P323 HydrophobicContact CE1-CG 3.85Å; F294-L327 HydrophobicContact CD2-CD1 4.23Å; F294-L327 HydrophobicContact CG-CD1 4.24Å; F294-M329 HydrophobicContact CD1-SD 3.93Å
295	A	97.8	Very high	98.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-51.6	-31.3	169.9	0	0	0	0	0	113.7	E262 G267 V268 I271 A293 A297 T298	E262-A295 WeakPolarHBondContact O-CA 3.3Å; E262-A295 WeakPolarHBondContact O-CB 3.39Å; E262-A295 PolarHBondContact O-N 3.45Å; G267-A295 VanDerWaalsContact C-CB 3.44Å; V268-A295 HydrophobicContact CG2-CB 3.97Å; I271-A295 HydrophobicContact CD1-CB 3.85Å; A293-A295 PolarHBondContact O-N 3.47Å; A295-A297 PolarHBondContact O-N 3.25Å; A295-T298 WeakPolarHBondContact O-CB 3.35Å; A295-T298 PolarHBondContact O-N 3.47Å; A295-T298 PolarHBondContact O-OG1 3.2Å
296	L	98	Very high	98.1	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-64.2	-28.8	179	-63.6	177.5	0	0	0	112.6	I271 A293 F294 T298 L299 L307 M311 I318 M329 P330 L334	I271-L296 HydrophobicContact CD1-CD1 4.49Å; I271-L296 HydrophobicContact CD1-CD2 3.64Å; I271-L296 HydrophobicContact CD1-CG 3.69Å; I271-L296 HydrophobicContact CG2-CD2 4.5Å; A293-L296 HydrophobicContact CB-CD1 3.8Å; A293-L296 HydrophobicContact CB-CG 4.18Å; A293-L296 WeakPolarHBondContact O-CB 3.29Å; A293-L296 WeakPolarHBondContact O-CG 3.47Å; A293-L296 PolarHBondContact O-N 2.86Å; F294-L296 PolarHBondContact O-N 3.44Å; F294-L296 VanDerWaalsContact O-N 3.14Å; L296-T298 PolarHBondContact O-N 2.94Å; L296-L299 HydrophobicContact CD2-CD1 4.01Å; L296-L299 PolarHBondContact O-N 2.92Å; L296-L307 HydrophobicContact CD2-CD1 4.17Å; L296-M311 HydrophobicContact CD2-CE 4.46Å; L296-I318 HydrophobicContact CD1-CD1 4.01Å; L296-I318 HydrophobicContact CD1-CG1 4.38Å; L296-M329 HydrophobicContact CB-CE 4.16Å; L296-P330 HydrophobicContact CB-CG 3.89Å; L296-L334 HydrophobicContact CD1-CD1 3.89Å; L296-L334 HydrophobicContact CD1-CD2 4.45Å
297	A	97	Very high	98.1	Very high	30 Å²	30	41.7 Å²	41.7	25%	0.248	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-68.9	-11.5	174.2	0	0	0	0	0	113.5	F294 A295 H328 M329	F294-A297 WeakPolarHBondContact O-CB 3.27Å; F294-A297 PolarHBondContact O-N 3.1Å; A295-A297 PolarHBondContact O-N 3.25Å; A297-H328 VanDerWaalsContact CB-O 3.28Å; A297-H328 WeakPolarHBondContact CB-O 3.47Å; A297-M329 HydrophobicContact CB-SD 3.83Å
298	T	96.8	Very high	98.1	Very high	69 Å²	69	39 Å²	39	42%	0.423	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-93.8	-9.1	-179.9	74.5	0	0	0	0	113.4	T263 A295 L296	T263-T298 WeakPolarHBondContact O-CG2 3.37Å; A295-T298 WeakPolarHBondContact O-CB 3.35Å; A295-T298 PolarHBondContact O-N 3.47Å; A295-T298 PolarHBondContact O-OG1 3.2Å; L296-T298 PolarHBondContact O-N 2.94Å
299	L	97.6	Very high	98.1	Very high	26 Å²	26	43 Å²	43	14%	0.136	22%	0.219	C	C	.	.	S	Bend	trans	-89.4	152	-178	-63	-179.5	0	0	0	110.9	V268 L296 Q303 V304 L307	V268-L299 HydrophobicContact CG1-CD2 3.87Å; V268-L299 HydrophobicContact CG2-CD2 3.76Å; V268-L299 HydrophobicContact CG2-CG 4.25Å; L296-L299 HydrophobicContact CD2-CD1 4.01Å; L296-L299 PolarHBondContact O-N 2.92Å; L299-Q303 HydrophobicContact CB-CB 3.93Å; L299-Q303 HydrophobicContact CD1-CB 4.35Å; L299-Q303 HydrophobicContact CD2-CB 4.17Å; L299-Q303 HydrophobicContact CG-CB 4.38Å; L299-V304 HydrophobicContact CB-CG2 3.75Å; L299-V304 HydrophobicContact CD1-CG2 4.48Å; L299-L307 HydrophobicContact CD1-CD1 3.62Å
300	N	97.4	Very high	98.1	Very high	84 Å²	84	45 Å²	45	45%	0.449	23%	0.226	S	C	.	.			trans	-78	166.9	167.7	69.6	48.1	0	0	0	111.4	Q302 Q303 V304	N300-Q302 VanDerWaalsContact C-N 3.29Å; N300-Q302 PolarHBondContact O-N 2.72Å; N300-Q302 WeakPolarHBondContact OD1-CB 3.45Å; N300-Q302 PolarHBondContact OD1-N 3.02Å; N300-Q303 VanDerWaalsContact CG-OE1 3.29Å; N300-Q303 PolarHBondContact ND2-OE1 3.2Å; N300-Q303 VanDerWaalsContact ND2-OE1 3.13Å; N300-Q303 PolarHBondContact O-N 3.4Å; N300-Q303 VanDerWaalsContact O-N 3.13Å; N300-Q303 WeakPolarHBondContact OD1-CG 3.49Å; N300-Q303 PolarHBondContact OD1-N 2.83Å; N300-V304 WeakPolarHBondContact O-CG2 3.17Å; N300-V304 PolarHBondContact O-N 2.71Å
301	E	97.4	Very high	98.1	Very high	156 Å²	156	45 Å²	45	73%	0.729	23%	0.226	S	C	*	.	H	α-helix	trans	-54.5	-41.7	-177.3	-67.3	-177.8	178.9	0	0	113	Q303 V304 D305 Q333	E301-Q303 PolarHBondContact O-N 2.9Å; E301-V304 PolarHBondContact O-N 2.89Å; E301-D305 WeakPolarHBondContact O-CB 3.47Å; E301-D305 PolarHBondContact O-N 3.11Å; E301-Q333 PolarHBondContact O-NE2 2.67Å
302	Q	98.4	Very high	98.1	Very high	152 Å²	152	47.7 Å²	47.7	71%	0.71	24%	0.242	S	C	*	.	H	α-helix	trans	-65.7	-41.1	-179.5	-175.6	-177.9	-5.6	0	0	112	N300 D305 E306	N300-Q302 VanDerWaalsContact C-N 3.29Å; N300-Q302 PolarHBondContact O-N 2.72Å; N300-Q302 WeakPolarHBondContact OD1-CB 3.45Å; N300-Q302 PolarHBondContact OD1-N 3.02Å; Q302-D305 WeakPolarHBondContact O-CB 3.42Å; Q302-D305 PolarHBondContact O-N 3.39Å; Q302-E306 PolarHBondContact O-N 3.45Å
303	Q	98.5	Very high	98.1	Very high	85 Å²	85	51.9 Å²	51.9	40%	0.397	27%	0.267	S	S	.	.	H	α-helix	trans	-66.5	-39	176.8	-70.5	173.3	-52.6	0	0	111.6	L299 N300 E301 L307	L299-Q303 HydrophobicContact CB-CB 3.93Å; L299-Q303 HydrophobicContact CD1-CB 4.35Å; L299-Q303 HydrophobicContact CD2-CB 4.17Å; L299-Q303 HydrophobicContact CG-CB 4.38Å; N300-Q303 VanDerWaalsContact CG-OE1 3.29Å; N300-Q303 PolarHBondContact ND2-OE1 3.2Å; N300-Q303 VanDerWaalsContact ND2-OE1 3.13Å; N300-Q303 PolarHBondContact O-N 3.4Å; N300-Q303 VanDerWaalsContact O-N 3.13Å; N300-Q303 WeakPolarHBondContact OD1-CG 3.49Å; N300-Q303 PolarHBondContact OD1-N 2.83Å; E301-Q303 PolarHBondContact O-N 2.9Å; Q303-L307 PolarHBondContact O-N 3.25Å; Q303-L307 VanDerWaalsContact O-N 3.15Å
304	V	98.5	Very high	98.2	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.006	27%	0.274	C	S	.	.	H	α-helix	trans	-64.1	-43.5	173.5	175.4	0	0	0	0	110.5	L299 N300 E301 E306 L307 A308 P330 Q333 L334	L299-V304 HydrophobicContact CB-CG2 3.75Å; L299-V304 HydrophobicContact CD1-CG2 4.48Å; N300-V304 WeakPolarHBondContact O-CG2 3.17Å; N300-V304 PolarHBondContact O-N 2.71Å; E301-V304 PolarHBondContact O-N 2.89Å; V304-E306 VanDerWaalsContact C-N 3.35Å; V304-E306 PolarHBondContact O-N 2.94Å; V304-L307 PolarHBondContact O-N 3.11Å; V304-A308 WeakPolarHBondContact O-CB 3.44Å; V304-A308 PolarHBondContact O-N 3.2Å; V304-P330 HydrophobicContact CG1-CB 3.92Å; V304-P330 HydrophobicContact CG1-CG 3.98Å; V304-P330 HydrophobicContact CG2-CB 4.11Å; V304-P330 HydrophobicContact CG2-CG 3.91Å; V304-Q333 HydrophobicContact CG1-CG 4.09Å; V304-L334 HydrophobicContact CG1-CD2 4.12Å; V304-L334 HydrophobicContact CG1-CG 4.35Å
305	D	98.4	Very high	98.2	Very high	47 Å²	47	57.5 Å²	57.5	25%	0.251	29%	0.294	S	S	.	.	H	α-helix	trans	-59.1	-44	178	-96	15.6	0	0	0	112.3	E301 Q302 A308 N309 Q333 K337	E301-D305 WeakPolarHBondContact O-CB 3.47Å; E301-D305 PolarHBondContact O-N 3.11Å; Q302-D305 WeakPolarHBondContact O-CB 3.42Å; Q302-D305 PolarHBondContact O-N 3.39Å; D305-A308 PolarHBondContact O-N 3.1Å; D305-N309 VanDerWaalsContact O-CG 3.23Å; D305-N309 PolarHBondContact O-N 3.36Å; D305-N309 PolarHBondContact O-ND2 2.81Å; D305-N309 VanDerWaalsContact O-ND2 3.14Å; D305-Q333 PolarHBondContact OD1-NE2 2.86Å; D305-K337 VanDerWaalsContact CG-NZ 3.34Å; D305-K337 WeakPolarHBondContact OD1-CE 3.4Å; D305-K337 IonicContact OD1-NZ 2.76Å; D305-K337 PolarHBondContact OD1-NZ 3.42Å; D305-K337 WeakPolarHBondContact OD2-CE 3.31Å; D305-K337 IonicContact OD2-NZ 3.65Å; D305-K337 PolarHBondContact OD2-NZ 3.3Å
306	E	98.4	Very high	98.3	Very high	123 Å²	123	57.6 Å²	57.6	58%	0.575	29%	0.294	S	S	*	.	H	α-helix	trans	-62.3	-48.4	177.4	-174.9	177.6	172.5	0	0	111.7	Q302 V304 N309 R310	Q302-E306 PolarHBondContact O-N 3.45Å; V304-E306 VanDerWaalsContact C-N 3.35Å; V304-E306 PolarHBondContact O-N 2.94Å; E306-N309 PolarHBondContact O-N 3.46Å; E306-R310 WeakPolarHBondContact O-CG 3.23Å; E306-R310 PolarHBondContact O-N 2.92Å
307	L	98.6	Very high	98.3	Very high	9 Å²	9	58 Å²	58	5%	0.047	30%	0.298	C	S	.	.	H	α-helix	trans	-64.6	-42.3	176.9	-98.7	165.4	0	0	0	112.1	I271 V275 L296 L299 Q303 V304 N309 R310 M311	I271-L307 HydrophobicContact CG2-CD1 4.14Å; I271-L307 HydrophobicContact CG2-CD2 3.73Å; V275-L307 HydrophobicContact CG2-CD2 3.93Å; L296-L307 HydrophobicContact CD2-CD1 4.17Å; L299-L307 HydrophobicContact CD1-CD1 3.62Å; Q303-L307 PolarHBondContact O-N 3.25Å; Q303-L307 VanDerWaalsContact O-N 3.15Å; V304-L307 PolarHBondContact O-N 3.11Å; L307-N309 VanDerWaalsContact C-N 3.34Å; L307-N309 PolarHBondContact O-N 2.98Å; L307-R310 PolarHBondContact O-N 3.35Å; L307-M311 HydrophobicContact CD2-CE 4.18Å; L307-M311 VanDerWaalsContact O-CG 3.31Å; L307-M311 WeakPolarHBondContact O-CG 3.29Å; L307-M311 PolarHBondContact O-N 3.45Å
308	A	98.7	Very high	98.4	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-59.5	-44.6	178.6	0	0	0	0	0	111.2	V304 D305 R310 M311 V312 L334 K337 V339	V304-A308 WeakPolarHBondContact O-CB 3.44Å; V304-A308 PolarHBondContact O-N 3.2Å; D305-A308 PolarHBondContact O-N 3.1Å; A308-R310 VanDerWaalsContact C-N 3.32Å; A308-R310 PolarHBondContact O-N 3.43Å; A308-M311 PolarHBondContact O-N 2.94Å; A308-V312 VanDerWaalsContact O-CG2 3.28Å; A308-V312 WeakPolarHBondContact O-CG2 3.24Å; A308-V312 PolarHBondContact O-N 2.93Å; A308-L334 HydrophobicContact CB-CD2 4.12Å; A308-K337 HydrophobicContact CB-CB 3.96Å; A308-K337 HydrophobicContact CB-CG 4.13Å; A308-V339 HydrophobicContact CB-CG2 3.85Å
309	N	98.6	Very high	98.5	Very high	86 Å²	86	53.4 Å²	53.4	46%	0.46	27%	0.266	S	S	.	.	H	α-helix	trans	-58.1	-44.3	176.3	-72.6	-30.7	0	0	0	111.8	D305 E306 L307 V312 V313	D305-N309 VanDerWaalsContact O-CG 3.23Å; D305-N309 PolarHBondContact O-N 3.36Å; D305-N309 PolarHBondContact O-ND2 2.81Å; D305-N309 VanDerWaalsContact O-ND2 3.14Å; E306-N309 PolarHBondContact O-N 3.46Å; L307-N309 VanDerWaalsContact C-N 3.34Å; L307-N309 PolarHBondContact O-N 2.98Å; N309-V312 PolarHBondContact O-N 3.44Å; N309-V313 WeakPolarHBondContact O-CG2 3.37Å; N309-V313 PolarHBondContact O-N 2.99Å; N309-V313 VanDerWaalsContact O-N 3.16Å
310	R	98.7	Very high	98.4	Very high	49 Å²	49	52.2 Å²	52.2	19%	0.185	26%	0.26	C	S	.	.	H	α-helix	trans	-64.8	-44.8	176.8	-64.4	172.6	67.4	-164.5	2.5	111.2	N272 V275 E279 E306 L307 A308 V312 V313 Q314	N272-R310 PolarHBondContact OD1-NH1 3.13Å; V275-R310 HydrophobicContact CG1-CB 3.69Å; E279-R310 VanDerWaalsContact CD-NH2 3.32Å; E279-R310 IonicContact OE1-CZ 2.7Å; E279-R310 IonicContact OE1-NE 3.01Å; E279-R310 PolarHBondContact OE1-NE 2.84Å; E279-R310 IonicContact OE1-NH2 3.01Å; E279-R310 PolarHBondContact OE1-NH2 2.91Å; E279-R310 IonicContact OE2-CZ 2.61Å; E279-R310 IonicContact OE2-NE 3.27Å; E279-R310 IonicContact OE2-NH2 3.4Å; E279-R310 PolarHBondContact OE2-NH2 3.49Å; E306-R310 WeakPolarHBondContact O-CG 3.23Å; E306-R310 PolarHBondContact O-N 2.92Å; L307-R310 PolarHBondContact O-N 3.35Å; A308-R310 VanDerWaalsContact C-N 3.32Å; A308-R310 PolarHBondContact O-N 3.43Å; R310-V312 PolarHBondContact O-N 2.86Å; R310-V313 PolarHBondContact O-N 3.02Å; R310-Q314 WeakPolarHBondContact O-CG 3.48Å; R310-Q314 PolarHBondContact O-N 3.23Å
311	M	98.8	Very high	98.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.4	-42.5	177	-72.1	-179.6	-178	0	0	112.3	I271 V275 I290 L296 L307 A308 Q314 Q315 I316 I318 V339	I271-M311 HydrophobicContact CG2-CE 3.6Å; V275-M311 HydrophobicContact CG2-CE 4.33Å; V275-M311 HydrophobicContact CG2-CG 4.27Å; I290-M311 HydrophobicContact CD1-CE 4.19Å; L296-M311 HydrophobicContact CD2-CE 4.46Å; L307-M311 HydrophobicContact CD2-CE 4.18Å; L307-M311 VanDerWaalsContact O-CG 3.31Å; L307-M311 WeakPolarHBondContact O-CG 3.29Å; L307-M311 PolarHBondContact O-N 3.45Å; A308-M311 PolarHBondContact O-N 2.94Å; M311-Q314 CarbonylContact O-C 3.51Å; M311-Q314 PolarHBondContact O-N 2.84Å; M311-Q315 CarbonylContact O-C 3.53Å; M311-Q315 WeakPolarHBondContact O-CA 3.38Å; M311-Q315 PolarHBondContact O-N 2.84Å; M311-I316 HydrophobicContact CB-CB 4Å; M311-I316 HydrophobicContact CG-CB 4.02Å; M311-I316 HydrophobicContact CG-CD1 4.43Å; M311-I316 HydrophobicContact CG-CG2 4.08Å; M311-I316 PolarHBondContact O-N 3.25Å; M311-I316 HydrophobicContact SD-CG2 4.46Å; M311-I318 HydrophobicContact CE-CD1 4.22Å; M311-I318 HydrophobicContact SD-CD1 4.14Å; M311-I318 HydrophobicContact SD-CG1 4.41Å; M311-V339 HydrophobicContact CB-CG1 4.47Å; M311-V339 HydrophobicContact CB-CG2 4.02Å; M311-V339 HydrophobicContact SD-CG1 4.38Å
312	V	98.8	Very high	98.3	Very high	56 Å²	56	41.8 Å²	41.8	34%	0.339	21%	0.21	S	C	.	.	H	α-helix	trans	-61.4	-49	176.6	170.6	0	0	0	0	111.2	A308 N309 R310 Q314 Q315 K337 V339	A308-V312 VanDerWaalsContact O-CG2 3.28Å; A308-V312 WeakPolarHBondContact O-CG2 3.24Å; A308-V312 PolarHBondContact O-N 2.93Å; N309-V312 PolarHBondContact O-N 3.44Å; R310-V312 PolarHBondContact O-N 2.86Å; V312-Q314 PolarHBondContact O-N 2.85Å; V312-Q315 PolarHBondContact O-N 2.93Å; V312-Q315 VanDerWaalsContact O-N 3.09Å; V312-K337 WeakPolarHBondContact CG2-O 3.37Å; V312-V339 HydrophobicContact CG2-CG2 3.83Å
313	V	98.6	Very high	98.1	Very high	89 Å²	89	35.4 Å²	35.4	54%	0.539	18%	0.182	S	C	.	.	H	α-helix	trans	-59.6	-37.4	179.3	174	0	0	0	0	111.3	K285 N309 R310	K285-V313 WeakPolarHBondContact CE-O 3.41Å; K285-V313 PolarHBondContact NZ-O 3.43Å; N309-V313 WeakPolarHBondContact O-CG2 3.37Å; N309-V313 PolarHBondContact O-N 2.99Å; N309-V313 VanDerWaalsContact O-N 3.16Å; R310-V313 PolarHBondContact O-N 3.02Å
314	Q	98.7	Very high	97.7	Very high	28 Å²	28	37.2 Å²	37.2	13%	0.131	19%	0.193	C	C	.	.	H	α-helix	trans	-90.5	0	179	-58.4	-45	-32.4	0	0	114.7	V278 E279 G286 R310 M311 V312 I316	V278-Q314 HydrophobicContact CG1-CB 3.78Å; V278-Q314 HydrophobicContact CG1-CG 4.17Å; E279-Q314 HydrophobicContact CG-CG 3.77Å; G286-Q314 PolarHBondContact N-O 3.35Å; R310-Q314 WeakPolarHBondContact O-CG 3.48Å; R310-Q314 PolarHBondContact O-N 3.23Å; M311-Q314 CarbonylContact O-C 3.51Å; M311-Q314 PolarHBondContact O-N 2.84Å; V312-Q314 PolarHBondContact O-N 2.85Å; Q314-I316 HydrophobicContact CB-CD1 3.88Å; Q314-I316 HydrophobicContact CB-CG1 3.89Å; Q314-I316 PolarHBondContact O-N 2.95Å
315	Q	98.7	Very high	97.1	Very high	116 Å²	116	40.3 Å²	40.3	54%	0.542	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	33.8	-176.6	-60	173.4	-35.1	0	0	113.4	G286 M311 V312	G286-Q315 WeakPolarHBondContact CA-O 3.27Å; M311-Q315 CarbonylContact O-C 3.53Å; M311-Q315 WeakPolarHBondContact O-CA 3.38Å; M311-Q315 PolarHBondContact O-N 2.84Å; V312-Q315 PolarHBondContact O-N 2.93Å; V312-Q315 VanDerWaalsContact O-N 3.09Å
316	I	98.9	Very high	96.2	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	26%	0.257	C	S	.	.			trans	-73.6	135.6	174.6	-64.1	169.4	0	0	0	108.5	V275 V278 L288 I290 M311 Q314	V275-I316 HydrophobicContact CB-CD1 4.22Å; V275-I316 HydrophobicContact CG1-CD1 4.32Å; V275-I316 HydrophobicContact CG2-CD1 3.77Å; V278-I316 HydrophobicContact CB-CD1 4.3Å; V278-I316 HydrophobicContact CG2-CD1 4.24Å; L288-I316 HydrophobicContact CB-CG1 4.27Å; L288-I316 HydrophobicContact CD2-CD1 4.03Å; L288-I316 HydrophobicContact CD2-CG1 4.13Å; L288-I316 HydrophobicContact CD2-CG2 4.07Å; L288-I316 HydrophobicContact CG-CG2 4.12Å; L288-I316 WeakPolarHBondContact O-CA 3.32Å; I290-I316 HydrophobicContact CD1-CG2 4.19Å; I290-I316 HydrophobicContact CG1-CG2 4.34Å; M311-I316 HydrophobicContact CB-CB 4Å; M311-I316 HydrophobicContact CG-CB 4.02Å; M311-I316 HydrophobicContact CG-CD1 4.43Å; M311-I316 HydrophobicContact CG-CG2 4.08Å; M311-I316 PolarHBondContact O-N 3.25Å; M311-I316 HydrophobicContact SD-CG2 4.46Å; Q314-I316 HydrophobicContact CB-CD1 3.88Å; Q314-I316 HydrophobicContact CB-CG1 3.89Å; Q314-I316 PolarHBondContact O-N 2.95Å
317	S	98.8	Very high	95.7	Very high	11 Å²	11	41.9 Å²	41.9	8%	0.077	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	154.9	-179.3	-54.7	0	0	0	0	111.6	L288 T289 I290 K340	L288-S317 PolarHBondContact O-N 3.47Å; T289-S317 CarbonylContact C-O 3.58Å; T289-S317 WeakPolarHBondContact CA-O 3.36Å; I290-S317 PolarHBondContact N-O 3.43Å; S317-K340 VanDerWaalsContact CA-O 3.32Å; S317-K340 WeakPolarHBondContact CA-O 3.29Å; S317-K340 WeakPolarHBondContact CB-O 3.33Å
318	I	98.7	Very high	95.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	131.8	171.5	-59.9	-59.9	0	0	0	108.5	I290 A293 L296 M311 L334 V339 K340 V341 M342	I290-I318 HydrophobicContact CB-CD1 3.92Å; I290-I318 HydrophobicContact CD1-CD1 4.4Å; I290-I318 WeakPolarHBondContact O-CA 3.48Å; A293-I318 HydrophobicContact CB-CD1 4Å; A293-I318 HydrophobicContact CB-CG2 4.32Å; L296-I318 HydrophobicContact CD1-CD1 4.01Å; L296-I318 HydrophobicContact CD1-CG1 4.38Å; M311-I318 HydrophobicContact CE-CD1 4.22Å; M311-I318 HydrophobicContact SD-CD1 4.14Å; M311-I318 HydrophobicContact SD-CG1 4.41Å; I318-L334 HydrophobicContact CG1-CD1 4.37Å; I318-V339 HydrophobicContact CG1-CG1 4.05Å; I318-K340 PolarHBondContact N-O 3.09Å; I318-V341 WeakPolarHBondContact O-CA 3.22Å; I318-M342 PolarHBondContact O-N 3.13Å
319	A	98.3	Very high	95.3	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.008	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	126.1	167.6	0	0	0	0	0	109.2	H105 T289 I290 S291 H292 M342	H105-A319 HydrophobicContact CB-CB 4.45Å; T289-A319 HydrophobicContact CG2-CB 3.78Å; I290-A319 PolarHBondContact O-N 3.12Å; I290-A319 VanDerWaalsContact O-N 3.14Å; S291-A319 CarbonylContact C-O 3.58Å; S291-A319 WeakPolarHBondContact CA-O 3.44Å; H292-A319 PolarHBondContact N-O 3.18Å; A319-M342 CarbonylContact C-O 3.6Å; A319-M342 WeakPolarHBondContact CA-O 3.26Å; A319-M342 HydrophobicContact CB-CE 4.5Å
320	S	97.5	Very high	95.2	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.007	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	144.1	-177.3	-169.1	0	0	0	0	112.1	V322 M342 T343 G344	S320-V322 PolarHBondContact OG-N 3.43Å; S320-V322 VanDerWaalsContact OG-N 3.1Å; S320-M342 PolarHBondContact N-O 3.29Å; S320-T343 WeakPolarHBondContact O-CA 3.49Å; S320-T343 WeakPolarHBondContact O-CB 3.27Å; S320-T343 WeakPolarHBondContact O-CG2 3.49Å; S320-G344 PolarHBondContact O-N 3.25Å
321	T	95.7	Very high	95.1	Very high	20 Å²	20	41.1 Å²	41.1	12%	0.123	24%	0.24	C	C	.	.			trans	-84.3	0.9	167.7	52.4	0	0	0	0	112.9	D346 K363	T321-D346 HydrophobicContact CG2-CB 3.35Å; T321-K363 PolarHBondContact O-NZ 3.02Å
322	V	95.7	Very high	95	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.006	26%	0.256	C	S	.	.			trans	56.8	65.9	-174.3	-163.3	0	0	0	0	110.1	S320 L331 T343 K363 L366 L370 Y371	S320-V322 PolarHBondContact OG-N 3.43Å; S320-V322 VanDerWaalsContact OG-N 3.1Å; V322-L331 HydrophobicContact CG1-CD1 4.37Å; V322-L331 HydrophobicContact CG2-CD1 4.4Å; V322-T343 HydrophobicContact CG2-CG2 3.54Å; V322-K363 HydrophobicContact CG2-CB 4.38Å; V322-K363 HydrophobicContact CG2-CD 4.48Å; V322-L366 HydrophobicContact CB-CD2 4.12Å; V322-L366 HydrophobicContact CB-CG 4.38Å; V322-L366 HydrophobicContact CG1-CB 4.27Å; V322-L366 HydrophobicContact CG1-CD2 4.11Å; V322-L366 HydrophobicContact CG1-CG 3.84Å; V322-L366 WeakPolarHBondContact O-CD2 3.38Å; V322-L370 HydrophobicContact CG1-CD1 4.29Å; V322-Y371 HydrophobicContact CG1-CE2 3.75Å
323	P	93.9	Very high	94.9	Very high	19 Å²	19	44.1 Å²	44.1	12%	0.123	25%	0.249	C	C	.	.			trans	-61.3	148.2	-173.8	27.9	-36.7	0	0	0	112	F294 L327 M329	F294-P323 HydrophobicContact CD1-CG 4.39Å; F294-P323 HydrophobicContact CE1-CB 4.17Å; F294-P323 HydrophobicContact CE1-CG 3.85Å; P323-L327 HydrophobicContact CB-CB 4.47Å; P323-L327 HydrophobicContact CG-CB 4.46Å; P323-M329 HydrophobicContact CG-CG 3.56Å
324	I	90	Very high	94.9	Very high	122 Å²	122	40 Å²	40	63%	0.626	22%	0.224	S	C	*	.			trans	-112.8	149.3	177	-29.3	179.3	0	0	0	108.6	L366	I324-L366 HydrophobicContact CD1-CD1 3.66Å; I324-L366 HydrophobicContact CD1-CD2 3.69Å; I324-L366 HydrophobicContact CD1-CG 4.31Å; I324-L366 HydrophobicContact CG1-CD1 3.85Å; I324-L366 HydrophobicContact CG1-CD2 3.68Å; I324-L366 HydrophobicContact CG1-CG 4.28Å
325	G	86.5	Confident	94.8	Very high	66 Å²	66	41.3 Å²	41.3	68%	0.68	23%	0.23	S	C	*	.	S	Bend	trans	106.1	-134.9	176.8	0	0	0	0	0	112	L327	G325-L327 VanDerWaalsContact C-N 3.29Å; G325-L327 PolarHBondContact O-N 3.49Å
326	T	79.6	Confident	94.7	Very high	149 Å²	149	40.4 Å²	40.4	91%	0.914	23%	0.229	S	C	*	.	S	Bend	trans	-76.4	-13.1	-172.5	52.6	0	0	0	0	114.4
327	L	87.3	Confident	94.6	Very high	55 Å²	55	44.3 Å²	44.3	29%	0.288	25%	0.246	S	C	.	.			trans	-98.4	90.7	177.4	-69.6	171.6	0	0	0	110.1	T263 F294 P323 G325	T263-L327 HydrophobicContact CG2-CD2 3.91Å; F294-L327 HydrophobicContact CD2-CD1 4.23Å; F294-L327 HydrophobicContact CG-CD1 4.24Å; P323-L327 HydrophobicContact CB-CB 4.47Å; P323-L327 HydrophobicContact CG-CB 4.46Å; G325-L327 VanDerWaalsContact C-N 3.29Å; G325-L327 PolarHBondContact O-N 3.49Å
328	H	92.2	Very high	94.5	Very high	108 Å²	108	46.2 Å²	46.2	50%	0.5	27%	0.267	S	S	.	.			trans	-89.7	107.5	171.9	-168.1	81.6	0	0	0	109.9	A297 L370 Y371	A297-H328 VanDerWaalsContact CB-O 3.28Å; A297-H328 WeakPolarHBondContact CB-O 3.47Å; H328-L370 PolarHBondContact CE1-O 3.22Å; H328-Y371 AromaticContact CD2-CE1 3.91Å; H328-Y371 AromaticContact CE1-CD1 3.42Å; H328-Y371 VanDerWaalsContact CE1-CD1 3.42Å; H328-Y371 WeakPolarHBondContact CE1-CD1 3.44Å; H328-Y371 AromaticContact CE1-CE1 3.22Å; H328-Y371 WeakPolarHBondContact CE1-CE1 3.04Å; H328-Y371 AromaticContact ND1-CE1 3.67Å; H328-Y371 AromaticContact NE2-CD1 3.44Å; H328-Y371 WeakPolarHBondContact NE2-CD1 3.42Å; H328-Y371 AromaticContact NE2-CE1 3.38Å; H328-Y371 WeakPolarHBondContact NE2-CE1 3.46Å
329	M	96.8	Very high	94.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.268	C	S	.	.			trans	-78.2	143.9	-177.3	-73.7	-66.3	-64.6	0	0	111.5	H292 A293 F294 L296 A297 P323 L331 Y371	H292-M329 WeakPolarHBondContact O-CE 3.25Å; A293-M329 HydrophobicContact CB-CE 4.41Å; A293-M329 WeakPolarHBondContact O-CE 3.46Å; F294-M329 HydrophobicContact CD1-SD 3.93Å; L296-M329 HydrophobicContact CB-CE 4.16Å; A297-M329 HydrophobicContact CB-SD 3.83Å; P323-M329 HydrophobicContact CG-CG 3.56Å; M329-L331 HydrophobicContact CB-CD1 4.33Å; M329-L331 HydrophobicContact CB-CD2 3.92Å; M329-L331 HydrophobicContact CB-CG 3.67Å; M329-L331 HydrophobicContact CE-CD2 4.49Å; M329-L331 PolarHBondContact O-N 3.35Å; M329-Y371 PolarHBondContact N-OH 3.28Å; M329-Y371 WeakPolarHBondContact O-CE1 3.41Å
330	P	97.1	Very high	94.5	Very high	19 Å²	19	51.8 Å²	51.8	12%	0.123	29%	0.291	C	S	.	.			trans	-77.9	43.5	178	33.8	-37.1	0	0	0	112.8	L296 V304 K332 Q333 L334	L296-P330 HydrophobicContact CB-CG 3.89Å; V304-P330 HydrophobicContact CG1-CB 3.92Å; V304-P330 HydrophobicContact CG1-CG 3.98Å; V304-P330 HydrophobicContact CG2-CB 4.11Å; V304-P330 HydrophobicContact CG2-CG 3.91Å; P330-K332 PolarHBondContact O-N 2.83Å; P330-Q333 HydrophobicContact CB-CB 4.34Å; P330-Q333 PolarHBondContact O-N 3.08Å; P330-L334 HydrophobicContact CG-CD1 4.14Å; P330-L334 HydrophobicContact CG-CG 4.42Å; P330-L334 WeakPolarHBondContact O-CB 3.38Å; P330-L334 VanDerWaalsContact O-CG 3.26Å; P330-L334 WeakPolarHBondContact O-CG 3.16Å; P330-L334 PolarHBondContact O-N 2.77Å
331	L	97.2	Very high	94.5	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.5	-43.1	-171.6	-61.7	-178.3	0	0	0	112.7	V322 M329 H335 V341 Y367 Y371	V322-L331 HydrophobicContact CG1-CD1 4.37Å; V322-L331 HydrophobicContact CG2-CD1 4.4Å; M329-L331 HydrophobicContact CB-CD1 4.33Å; M329-L331 HydrophobicContact CB-CD2 3.92Å; M329-L331 HydrophobicContact CB-CG 3.67Å; M329-L331 HydrophobicContact CE-CD2 4.49Å; M329-L331 PolarHBondContact O-N 3.35Å; L331-H335 VanDerWaalsContact O-CB 3.28Å; L331-H335 WeakPolarHBondContact O-CB 3.5Å; L331-H335 PolarHBondContact O-N 2.84Å; L331-V341 HydrophobicContact CD2-CG1 4.2Å; L331-Y367 HydrophobicContact CB-CD2 4.31Å; L331-Y367 HydrophobicContact CB-CE2 3.87Å; L331-Y367 HydrophobicContact CD1-CD2 4.23Å; L331-Y371 HydrophobicContact CD1-CD2 4.41Å; L331-Y371 HydrophobicContact CD1-CE2 3.8Å; L331-Y371 HydrophobicContact CG-CE2 4.47Å
332	K	95.7	Very high	94.6	Very high	78 Å²	78	51.4 Å²	51.4	34%	0.339	29%	0.289	S	S	.	.	H	α-helix	trans	-63	-46.1	176.5	174.7	165.2	175.9	42.7	0	111.6	P330 L334 H335 D336 Y371 I372	P330-K332 PolarHBondContact O-N 2.83Å; K332-L334 PolarHBondContact O-N 3.32Å; K332-H335 PolarHBondContact O-N 3.15Å; K332-D336 WeakPolarHBondContact CE-OD2 3.47Å; K332-D336 WeakPolarHBondContact CG-OD2 3.42Å; K332-D336 IonicContact NZ-OD1 2.97Å; K332-D336 PolarHBondContact NZ-OD1 3.17Å; K332-D336 IonicContact NZ-OD2 3.95Å; K332-D336 PolarHBondContact NZ-OD2 2.89Å; K332-D336 WeakPolarHBondContact O-CB 3.32Å; K332-D336 PolarHBondContact O-N 3.15Å; K332-Y371 WeakPolarHBondContact CD-O 3.16Å; K332-I372 HydrophobicContact CD-CG2 4.17Å
333	Q	97.5	Very high	94.7	Very high	42 Å²	42	51.4 Å²	51.4	20%	0.196	29%	0.289	C	S	.	.	H	α-helix	trans	-61.5	-46.1	178.9	-174.4	-178.1	-4	0	0	111.5	E301 V304 D305 P330 H335 D336 K337	E301-Q333 PolarHBondContact O-NE2 2.67Å; V304-Q333 HydrophobicContact CG1-CG 4.09Å; D305-Q333 PolarHBondContact OD1-NE2 2.86Å; P330-Q333 HydrophobicContact CB-CB 4.34Å; P330-Q333 PolarHBondContact O-N 3.08Å; Q333-H335 PolarHBondContact O-N 2.95Å; Q333-D336 PolarHBondContact O-N 3.14Å; Q333-K337 VanDerWaalsContact O-CG 3.29Å; Q333-K337 WeakPolarHBondContact O-CG 3.36Å; Q333-K337 PolarHBondContact O-N 2.96Å; Q333-K337 VanDerWaalsContact O-N 3.09Å
334	L	98.3	Very high	94.8	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-57.8	-49.2	175.5	-70.1	165.7	0	0	0	111.5	L296 V304 A308 I318 P330 K332 K337 G338 V339 V341	L296-L334 HydrophobicContact CD1-CD1 3.89Å; L296-L334 HydrophobicContact CD1-CD2 4.45Å; V304-L334 HydrophobicContact CG1-CD2 4.12Å; V304-L334 HydrophobicContact CG1-CG 4.35Å; A308-L334 HydrophobicContact CB-CD2 4.12Å; I318-L334 HydrophobicContact CG1-CD1 4.37Å; P330-L334 HydrophobicContact CG-CD1 4.14Å; P330-L334 HydrophobicContact CG-CG 4.42Å; P330-L334 WeakPolarHBondContact O-CB 3.38Å; P330-L334 VanDerWaalsContact O-CG 3.26Å; P330-L334 WeakPolarHBondContact O-CG 3.16Å; P330-L334 PolarHBondContact O-N 2.77Å; K332-L334 PolarHBondContact O-N 3.32Å; L334-K337 PolarHBondContact O-N 3.14Å; L334-G338 PolarHBondContact O-N 3.18Å; L334-V339 HydrophobicContact CB-CB 4.13Å; L334-V339 HydrophobicContact CB-CG2 4.44Å; L334-V339 HydrophobicContact CD2-CB 4.48Å; L334-V339 HydrophobicContact CD2-CG2 4.1Å; L334-V339 VanDerWaalsContact O-CB 3.3Å; L334-V339 WeakPolarHBondContact O-CB 3.4Å; L334-V339 PolarHBondContact O-N 3.15Å; L334-V341 HydrophobicContact CB-CG2 4.03Å
335	H	96.4	Very high	95.1	Very high	56 Å²	56	45 Å²	45	26%	0.259	26%	0.255	S	S	.	.	H	α-helix	trans	-62	-48.3	179	176.2	-92.1	0	0	0	112.4	L331 K332 Q333 K337 G338 V341 F384	L331-H335 VanDerWaalsContact O-CB 3.28Å; L331-H335 WeakPolarHBondContact O-CB 3.5Å; L331-H335 PolarHBondContact O-N 2.84Å; K332-H335 PolarHBondContact O-N 3.15Å; Q333-H335 PolarHBondContact O-N 2.95Å; H335-K337 PolarHBondContact O-N 3.19Å; H335-G338 WeakPolarHBondContact O-CA 3.33Å; H335-G338 PolarHBondContact O-N 2.91Å; H335-V341 HydrophobicContact CB-CG2 4.14Å; H335-F384 HydrophobicContact CB-CZ 4.29Å; H335-F384 AromaticContact CD2-CD2 3.85Å; H335-F384 AromaticContact CD2-CE2 3.14Å; H335-F384 WeakPolarHBondContact CD2-CE2 3.47Å; H335-F384 AromaticContact CD2-CZ 3.25Å; H335-F384 WeakPolarHBondContact CD2-CZ 3.45Å; H335-F384 AromaticContact CG-CZ 3.67Å; H335-F384 AromaticContact NE2-CD2 3.65Å; H335-F384 AromaticContact NE2-CE2 3.43Å; H335-F384 WeakPolarHBondContact NE2-CE2 3.43Å; H335-F384 AromaticContact NE2-CZ 3.62Å
336	D	95.6	Very high	95.6	Very high	98 Å²	98	43.4 Å²	43.4	52%	0.524	23%	0.231	S	C	.	.	H	α-helix	trans	-62.1	-28.9	180	-69.1	-8.5	0	0	0	112.3	K332 Q333 G338	K332-D336 WeakPolarHBondContact CE-OD2 3.47Å; K332-D336 WeakPolarHBondContact CG-OD2 3.42Å; K332-D336 IonicContact NZ-OD1 2.97Å; K332-D336 PolarHBondContact NZ-OD1 3.17Å; K332-D336 IonicContact NZ-OD2 3.95Å; K332-D336 PolarHBondContact NZ-OD2 2.89Å; K332-D336 WeakPolarHBondContact O-CB 3.32Å; K332-D336 PolarHBondContact O-N 3.15Å; Q333-D336 PolarHBondContact O-N 3.14Å; D336-G338 VanDerWaalsContact C-N 3.28Å
337	K	97.5	Very high	96.3	Very high	83 Å²	83	36.4 Å²	36.4	36%	0.361	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-11.7	172.5	-69.8	-63.3	-171.7	175.2	0	113.9	D305 A308 V312 Q333 L334 H335	D305-K337 VanDerWaalsContact CG-NZ 3.34Å; D305-K337 WeakPolarHBondContact OD1-CE 3.4Å; D305-K337 IonicContact OD1-NZ 2.76Å; D305-K337 PolarHBondContact OD1-NZ 3.42Å; D305-K337 WeakPolarHBondContact OD2-CE 3.31Å; D305-K337 IonicContact OD2-NZ 3.65Å; D305-K337 PolarHBondContact OD2-NZ 3.3Å; A308-K337 HydrophobicContact CB-CB 3.96Å; A308-K337 HydrophobicContact CB-CG 4.13Å; V312-K337 WeakPolarHBondContact CG2-O 3.37Å; Q333-K337 VanDerWaalsContact O-CG 3.29Å; Q333-K337 WeakPolarHBondContact O-CG 3.36Å; Q333-K337 PolarHBondContact O-N 2.96Å; Q333-K337 VanDerWaalsContact O-N 3.09Å; L334-K337 PolarHBondContact O-N 3.14Å; H335-K337 PolarHBondContact O-N 3.19Å
338	G	97.5	Very high	96.7	Very high	51 Å²	51	34 Å²	34	53%	0.526	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.7	10.3	-179.8	0	0	0	0	0	114.6	L334 H335 D336 K340	L334-G338 PolarHBondContact O-N 3.18Å; H335-G338 WeakPolarHBondContact O-CA 3.33Å; H335-G338 PolarHBondContact O-N 2.91Å; D336-G338 VanDerWaalsContact C-N 3.28Å; G338-K340 PolarHBondContact O-N 2.6Å
339	V	98.5	Very high	96.5	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.018	16%	0.162	C	C	.	.			trans	-66.5	130.8	170	179.2	0	0	0	0	107.7	A308 M311 V312 I318 L334 V341	A308-V339 HydrophobicContact CB-CG2 3.85Å; M311-V339 HydrophobicContact CB-CG1 4.47Å; M311-V339 HydrophobicContact CB-CG2 4.02Å; M311-V339 HydrophobicContact SD-CG1 4.38Å; V312-V339 HydrophobicContact CG2-CG2 3.83Å; I318-V339 HydrophobicContact CG1-CG1 4.05Å; L334-V339 HydrophobicContact CB-CB 4.13Å; L334-V339 HydrophobicContact CB-CG2 4.44Å; L334-V339 HydrophobicContact CD2-CB 4.48Å; L334-V339 HydrophobicContact CD2-CG2 4.1Å; L334-V339 VanDerWaalsContact O-CB 3.3Å; L334-V339 WeakPolarHBondContact O-CB 3.4Å; L334-V339 PolarHBondContact O-N 3.15Å; V339-V341 PolarHBondContact O-N 3.39Å
340	K	98.1	Very high	96.3	Very high	115 Å²	115	30.9 Å²	30.9	50%	0.5	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	104.7	175.9	-177.3	175	177.4	-174.6	0	109.4	S317 I318 G338 M342	S317-K340 VanDerWaalsContact CA-O 3.32Å; S317-K340 WeakPolarHBondContact CA-O 3.29Å; S317-K340 WeakPolarHBondContact CB-O 3.33Å; I318-K340 PolarHBondContact N-O 3.09Å; G338-K340 PolarHBondContact O-N 2.6Å; K340-M342 HydrophobicContact CG-CG 4.24Å
341	V	97.8	Very high	96	Very high	11 Å²	11	30.1 Å²	30.1	7%	0.067	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	123.7	175.2	-177.8	0	0	0	0	109.1	I318 L331 L334 H335 V339 L385	I318-V341 WeakPolarHBondContact O-CA 3.22Å; L331-V341 HydrophobicContact CD2-CG1 4.2Å; L334-V341 HydrophobicContact CB-CG2 4.03Å; H335-V341 HydrophobicContact CB-CG2 4.14Å; V339-V341 PolarHBondContact O-N 3.39Å; V341-L385 HydrophobicContact CB-CD2 4.47Å; V341-L385 HydrophobicContact CG1-CD2 3.86Å
342	M	97.3	Very high	95.7	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.015	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	160.8	174.8	-51.8	-174.8	-67.6	0	0	108.9	R102 M104 T289 I318 A319 S320 K340	R102-M342 VanDerWaalsContact NH2-CG 3.32Å; R102-M342 PolarHBondContact NH2-SD 3.07Å; M104-M342 HydrophobicContact CB-CB 3.96Å; M104-M342 HydrophobicContact CB-SD 4.29Å; M104-M342 HydrophobicContact CE-SD 4.36Å; M104-M342 HydrophobicContact CG-CB 4.18Å; M104-M342 HydrophobicContact CG-SD 4.15Å; T289-M342 HydrophobicContact CG2-CE 3.79Å; I318-M342 PolarHBondContact O-N 3.13Å; A319-M342 CarbonylContact C-O 3.6Å; A319-M342 WeakPolarHBondContact CA-O 3.26Å; A319-M342 HydrophobicContact CB-CE 4.5Å; S320-M342 PolarHBondContact N-O 3.29Å; K340-M342 HydrophobicContact CG-CG 4.24Å
343	T	96.9	Very high	95.5	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	158.4	173.5	47.3	0	0	0	0	111.6	M104 S320 V322 M360 L385	M104-T343 PolarHBondContact N-O 2.82Å; S320-T343 WeakPolarHBondContact O-CA 3.49Å; S320-T343 WeakPolarHBondContact O-CB 3.27Å; S320-T343 WeakPolarHBondContact O-CG2 3.49Å; V322-T343 HydrophobicContact CG2-CG2 3.54Å; T343-M360 WeakPolarHBondContact OG1-CE 3.4Å; T343-L385 HydrophobicContact CG2-CB 4.17Å; T343-L385 HydrophobicContact CG2-CD1 4.13Å; T343-L385 HydrophobicContact CG2-CD2 3.77Å; T343-L385 HydrophobicContact CG2-CG 4.25Å; T343-L385 PolarHBondContact OG1-O 2.92Å; T343-L385 VanDerWaalsContact OG1-O 3.11Å
344	G	97.1	Very high	95.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.161	C	C	.	.			trans	-150.5	168.6	169	0	0	0	0	0	111.9	D103 H105 S320 K363	D103-G344 WeakPolarHBondContact OD1-CA 3.48Å; H105-G344 CarbonylContact O-C 3.54Å; H105-G344 WeakPolarHBondContact O-CA 3.49Å; S320-G344 PolarHBondContact O-N 3.25Å; G344-K363 WeakPolarHBondContact O-CE 3.47Å
345	T	96.8	Very high	94.8	Very high	6 Å²	6	38 Å²	38	4%	0.037	19%	0.194	C	C	.	.			trans	-83.1	-21.7	-178.9	57	0	0	0	0	113.2	D103 H105 S347 M360	D103-T345 PolarHBondContact OD1-N 3.3Å; D103-T345 VanDerWaalsContact OD2-CB 3.3Å; D103-T345 WeakPolarHBondContact OD2-CB 3.48Å; D103-T345 WeakPolarHBondContact OD2-CG2 3.32Å; D103-T345 PolarHBondContact OD2-N 2.81Å; D103-T345 PolarHBondContact OD2-OG1 3.36Å; H105-T345 PolarHBondContact O-N 2.98Å; T345-S347 PolarHBondContact O-N 3.36Å; T345-M360 HydrophobicContact CG2-SD 4.03Å
346	D	96.8	Very high	94.4	Very high	32 Å²	32	35.8 Å²	35.8	17%	0.171	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	62.7	-108.5	-175.2	179.8	8.2	0	0	0	110.8	H105 H107 H292 T321	H105-D346 IonicContact NE2-OD1 3.67Å; H105-D346 VanDerWaalsContact O-CA 3.31Å; H105-D346 WeakPolarHBondContact O-CA 3.49Å; H105-D346 PolarHBondContact O-N 3.05Å; H107-D346 IonicContact CD2-OD1 3.65Å; H107-D346 PolarHBondContact CD2-OD1 2.64Å; H107-D346 VanDerWaalsContact CD2-OD1 3.25Å; H107-D346 PolarHBondContact N-O 2.88Å; H107-D346 IonicContact NE2-OD1 2.92Å; H107-D346 PolarHBondContact NE2-OD1 2.92Å; H292-D346 IonicContact CE1-OD2 3.28Å; H292-D346 PolarHBondContact CE1-OD2 3.38Å; T321-D346 HydrophobicContact CG2-CB 3.35Å
347	S	94.9	Very high	94.4	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.021	19%	0.185	C	C	.	.			trans	-74.2	129.6	171.5	-60	0	0	0	0	111.2	T345 D350 Y355 G356	T345-S347 PolarHBondContact O-N 3.36Å; S347-D350 VanDerWaalsContact CB-CG 3.45Å; S347-D350 VanDerWaalsContact CB-OD1 3.3Å; S347-D350 WeakPolarHBondContact CB-OD1 3.29Å; S347-D350 VanDerWaalsContact CB-OD2 3.27Å; S347-D350 WeakPolarHBondContact CB-OD2 3.43Å; S347-D350 PolarHBondContact OG-OD1 2.93Å; S347-D350 PolarHBondContact OG-OD2 2.89Å; S347-Y355 VanDerWaalsContact O-O 3.06Å; S347-G356 WeakPolarHBondContact O-CA 3.31Å
348	V	93.9	Very high	94.4	Very high	5 Å²	5	31.7 Å²	31.7	3%	0.03	17%	0.167	C	C	.	.	S	Bend	trans	-109.8	89.1	159.9	179.3	0	0	0	0	107.3	I106 T111 L153 L156	I106-V348 HydrophobicContact CD1-CG2 4.12Å; T111-V348 PolarHBondContact OG1-O 2.94Å; L153-V348 HydrophobicContact CD1-CB 3.81Å; L153-V348 HydrophobicContact CD1-CG1 3.67Å; L153-V348 HydrophobicContact CD1-CG2 4Å; L153-V348 HydrophobicContact CD2-CB 4.41Å; L156-V348 HydrophobicContact CD2-CG1 3.76Å
349	I	90	Very high	94.4	Very high	39 Å²	39	29.6 Å²	29.6	20%	0.2	14%	0.144	C	C	.	.	S	Bend	trans	49.9	85	-177.6	-47	171.7	0	0	0	112	T111 F112 W117 Y355	T111-I349 PolarHBondContact OG1-O 2.88Å; F112-I349 HydrophobicContact CB-CG2 4.33Å; F112-I349 VanDerWaalsContact CB-O 3.29Å; F112-I349 WeakPolarHBondContact CB-O 3.38Å; F112-I349 HydrophobicContact CD2-CG2 4.36Å; F112-I349 PolarHBondContact N-O 3.41Å; W117-I349 HydrophobicContact CE3-CG2 4.13Å; W117-I349 HydrophobicContact CH2-CG2 4.47Å; W117-I349 HydrophobicContact CZ3-CD1 4.24Å; W117-I349 HydrophobicContact CZ3-CG2 3.65Å; I349-Y355 PolarHBondContact N-O 3.36Å
350	D	91.5	Very high	94.4	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.011	14%	0.143	C	C	.	.	S	Bend	trans	-136.7	-165.5	175.5	68.4	15.9	0	0	0	111.5	F112 L120 S347 W352 S353	F112-D350 WeakPolarHBondContact CE2-O 3.37Å; L120-D350 WeakPolarHBondContact CD2-O 3.38Å; S347-D350 VanDerWaalsContact CB-CG 3.45Å; S347-D350 VanDerWaalsContact CB-OD1 3.3Å; S347-D350 WeakPolarHBondContact CB-OD1 3.29Å; S347-D350 VanDerWaalsContact CB-OD2 3.27Å; S347-D350 WeakPolarHBondContact CB-OD2 3.43Å; S347-D350 PolarHBondContact OG-OD1 2.93Å; S347-D350 PolarHBondContact OG-OD2 2.89Å; D350-W352 VanDerWaalsContact C-N 3.32Å; D350-W352 WeakPolarHBondContact OD1-CA 3.27Å; D350-W352 WeakPolarHBondContact OD1-CB 3.42Å; D350-W352 PolarHBondContact OD1-N 3.29Å; D350-S353 PolarHBondContact N-O 2.92Å; D350-S353 PolarHBondContact OD1-N 3.29Å
351	H	90.7	Very high	94.4	Very high	4 Å²	4	24.1 Å²	24.1	2%	0.019	12%	0.12	C	C	.	.	S	Bend	trans	-78.7	-8.5	177	54.8	-75.6	0	0	0	114.6	F112 L120 M131 E135 M138	F112-H351 HydrophobicContact CE2-CB 4.49Å; F112-H351 HydrophobicContact CZ-CB 3.95Å; L120-H351 VanDerWaalsContact CD2-CA 3.46Å; L120-H351 WeakPolarHBondContact CD2-O 3.43Å; M131-H351 WeakPolarHBondContact CE-O 3.46Å; E135-H351 VanDerWaalsContact CD-NE2 3.29Å; E135-H351 WeakPolarHBondContact CG-NE2 3.25Å; E135-H351 IonicContact OE1-CE1 2.89Å; E135-H351 PolarHBondContact OE1-CE1 2.96Å; E135-H351 IonicContact OE1-NE2 4Å; E135-H351 PolarHBondContact OE1-NE2 2.63Å; M138-H351 HydrophobicContact CE-CB 3.81Å; M138-H351 HydrophobicContact SD-CB 3.89Å
352	W	91.6	Very high	94.4	Very high	43 Å²	43	26 Å²	26	16%	0.163	13%	0.128	C	C	.	.	S	Bend	trans	-89.2	-40.2	174	-68.7	105.2	0	0	0	111.5	I128 M131 E135 Q203 D350	I128-W352 HydrophobicContact CD1-CH2 3.52Å; I128-W352 HydrophobicContact CD1-CZ3 3.54Å; M131-W352 HydrophobicContact CB-CE3 4.25Å; M131-W352 HydrophobicContact CB-CH2 3.43Å; M131-W352 VanDerWaalsContact CB-CH2 3.43Å; M131-W352 HydrophobicContact CB-CZ2 4.26Å; M131-W352 HydrophobicContact CB-CZ3 3.42Å; M131-W352 VanDerWaalsContact CB-CZ3 3.42Å; M131-W352 HydrophobicContact CE-CE3 4.24Å; M131-W352 HydrophobicContact CE-CZ3 4.48Å; M131-W352 HydrophobicContact CG-CE3 4.42Å; M131-W352 HydrophobicContact CG-CH2 4.36Å; M131-W352 HydrophobicContact CG-CZ3 3.84Å; E135-W352 PolarHBondContact OE1-NE1 2.89Å; Q203-W352 HydrophobicContact CG-CZ2 4Å; Q203-W352 VanDerWaalsContact NE2-CZ2 3.34Å; D350-W352 VanDerWaalsContact C-N 3.32Å; D350-W352 WeakPolarHBondContact OD1-CA 3.27Å; D350-W352 WeakPolarHBondContact OD1-CB 3.42Å; D350-W352 PolarHBondContact OD1-N 3.29Å
353	S	91.4	Very high	94.4	Very high	29 Å²	29	26.7 Å²	26.7	20%	0.203	13%	0.131	C	C	.	.			trans	-151.2	135.1	-178.5	165.7	0	0	0	0	111.9	D350 Y355	D350-S353 PolarHBondContact N-O 2.92Å; D350-S353 PolarHBondContact OD1-N 3.29Å; S353-Y355 PolarHBondContact O-N 3.37Å; S353-Y355 WeakPolarHBondContact OG-CB 3.43Å; S353-Y355 WeakPolarHBondContact OG-CD2 3.26Å; S353-Y355 PolarHBondContact OG-N 2.96Å; S353-Y355 VanDerWaalsContact OG-N 3.17Å
354	P	90.2	Very high	94.4	Very high	37 Å²	37	26.7 Å²	26.7	24%	0.24	13%	0.131	C	C	.	.	S	Bend	trans	-81.2	-1.6	175.6	38.1	-35.6	0	0	0	112.2	W117 L120	W117-P354 HydrophobicContact CH2-CB 4.3Å; L120-P354 HydrophobicContact CD1-CG 4.39Å; L120-P354 HydrophobicContact CG-CB 4.45Å; L120-P354 HydrophobicContact CG-CG 4.46Å
355	Y	89.6	Confident	94.5	Very high	177 Å²	177	27.5 Å²	27.5	69%	0.694	14%	0.135	S	C	*	.			trans	-91	-171.9	-177	-52.2	-68.1	0	0	0	111	S347 I349 S353	S347-Y355 VanDerWaalsContact O-O 3.06Å; I349-Y355 PolarHBondContact N-O 3.36Å; S353-Y355 PolarHBondContact O-N 3.37Å; S353-Y355 WeakPolarHBondContact OG-CB 3.43Å; S353-Y355 WeakPolarHBondContact OG-CD2 3.26Å; S353-Y355 PolarHBondContact OG-N 2.96Å; S353-Y355 VanDerWaalsContact OG-N 3.17Å
356	G	89.5	Confident	94.4	Very high	9 Å²	9	28.3 Å²	28.3	9%	0.093	14%	0.139	C	C	.	.			trans	91.6	114.4	178.5	0	0	0	0	0	111.9	S347	S347-G356 WeakPolarHBondContact O-CA 3.31Å
357	L	94.7	Very high	94.5	Very high	96 Å²	96	27.1 Å²	27.1	50%	0.503	13%	0.132	S	C	.	.			trans	-100.5	4.8	-179.9	-60.4	-177	0	0	0	113.3	D359 E362	L357-D359 HydrophobicContact CB-CB 4.08Å; L357-D359 PolarHBondContact O-N 2.93Å; L357-E362 VanDerWaalsContact CD1-OE1 3.31Å; L357-E362 WeakPolarHBondContact CD1-OE1 3.43Å
358	G	96.8	Very high	94.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	63.4	22.1	-170.2	0	0	0	0	0	113	L157 K160	L157-G358 WeakPolarHBondContact CD2-O 3.33Å; K160-G358 VanDerWaalsContact CB-O 3.26Å; K160-G358 WeakPolarHBondContact CB-O 3.38Å; K160-G358 WeakPolarHBondContact CG-O 3.41Å
359	D	98.1	Very high	94.7	Very high	6 Å²	6	33.5 Å²	33.5	3%	0.032	16%	0.162	C	C	.	.			trans	-115.8	111.9	-167.2	-169	-22	0	0	0	111.6	K160 L357 L361 E362 R428	K160-D359 HydrophobicContact CB-CB 4.38Å; K160-D359 HydrophobicContact CD-CB 4.24Å; K160-D359 HydrophobicContact CG-CB 4.16Å; L357-D359 HydrophobicContact CB-CB 4.08Å; L357-D359 PolarHBondContact O-N 2.93Å; D359-L361 WeakPolarHBondContact OD1-CA 3.23Å; D359-L361 WeakPolarHBondContact OD1-CB 3.36Å; D359-L361 PolarHBondContact OD1-N 3.3Å; D359-E362 HydrophobicContact CB-CB 4.02Å; D359-E362 VanDerWaalsContact O-CB 3.32Å; D359-E362 WeakPolarHBondContact O-CB 3.31Å; D359-E362 PolarHBondContact O-N 3.3Å; D359-E362 PolarHBondContact OD1-N 3.33Å; D359-R428 IonicContact OD1-CZ 2.55Å; D359-R428 IonicContact OD1-NH1 3.98Å; D359-R428 IonicContact OD1-NH2 3.05Å; D359-R428 PolarHBondContact OD1-NH2 2.76Å; D359-R428 IonicContact OD2-CZ 2.72Å; D359-R428 IonicContact OD2-NH1 3.83Å; D359-R428 PolarHBondContact OD2-NH1 2.93Å; D359-R428 IonicContact OD2-NH2 3Å; D359-R428 PolarHBondContact OD2-NH2 2.91Å
360	M	98.5	Very high	95	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-78.5	-21.4	179	-63.7	-51.2	-58.7	0	0	113.6	T101 R102 D103 T343 T345 E362 K363 A364 A386	T101-M360 HydrophobicContact CG2-CB 4.09Å; R102-M360 WeakPolarHBondContact O-CE 3.17Å; R102-M360 WeakPolarHBondContact O-CG 3.37Å; D103-M360 HydrophobicContact CB-CG 4.35Å; D103-M360 HydrophobicContact CB-SD 3.88Å; T343-M360 WeakPolarHBondContact OG1-CE 3.4Å; T345-M360 HydrophobicContact CG2-SD 4.03Å; M360-E362 VanDerWaalsContact C-N 3.28Å; M360-K363 HydrophobicContact CE-CB 4.18Å; M360-K363 HydrophobicContact CE-CG 4.1Å; M360-K363 PolarHBondContact O-N 3.35Å; M360-K363 HydrophobicContact SD-CG 4.34Å; M360-A364 PolarHBondContact O-N 3.16Å; M360-A386 HydrophobicContact CB-CB 3.77Å; M360-A386 WeakPolarHBondContact O-CB 3.48Å
361	L	98.3	Very high	95.1	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.016	17%	0.17	C	C	.	.	H	α-helix	trans	-69.7	-29.2	170	-72.6	-172.4	0	0	0	111.2	D359 K363 A364 N365 L383 A386 A421 V422 I425	D359-L361 WeakPolarHBondContact OD1-CA 3.23Å; D359-L361 WeakPolarHBondContact OD1-CB 3.36Å; D359-L361 PolarHBondContact OD1-N 3.3Å; L361-K363 VanDerWaalsContact C-N 3.31Å; L361-K363 PolarHBondContact O-N 2.93Å; L361-A364 PolarHBondContact O-N 2.66Å; L361-N365 WeakPolarHBondContact O-CB 3.33Å; L361-N365 PolarHBondContact O-N 3.37Å; L361-L383 HydrophobicContact CD2-CD1 3.64Å; L361-A386 HydrophobicContact CD2-CB 4.5Å; L361-A421 HydrophobicContact CD1-CB 4.48Å; L361-V422 HydrophobicContact CD2-CG2 4.39Å; L361-I425 HydrophobicContact CB-CG2 4.12Å
362	E	97.6	Very high	95.2	Very high	50 Å²	50	36.3 Å²	36.3	23%	0.234	18%	0.176	C	C	.	.	H	α-helix	trans	-60	-43.3	169.1	-176.5	-168.8	-130.3	0	0	110.7	L357 D359 M360 N365 L366 I425	L357-E362 VanDerWaalsContact CD1-OE1 3.31Å; L357-E362 WeakPolarHBondContact CD1-OE1 3.43Å; D359-E362 HydrophobicContact CB-CB 4.02Å; D359-E362 VanDerWaalsContact O-CB 3.32Å; D359-E362 WeakPolarHBondContact O-CB 3.31Å; D359-E362 PolarHBondContact O-N 3.3Å; D359-E362 PolarHBondContact OD1-N 3.33Å; M360-E362 VanDerWaalsContact C-N 3.28Å; E362-N365 PolarHBondContact O-N 3.14Å; E362-L366 VanDerWaalsContact O-CB 3.29Å; E362-L366 WeakPolarHBondContact O-CB 3.39Å; E362-L366 PolarHBondContact O-N 2.92Å; E362-I425 HydrophobicContact CB-CD1 4.4Å; E362-I425 HydrophobicContact CG-CD1 4.44Å
363	K	97.2	Very high	95.4	Very high	19 Å²	19	44.3 Å²	44.3	8%	0.083	21%	0.206	C	C	.	.	H	α-helix	trans	-66.6	-42.2	177.8	-60	-54.6	-173.8	178.5	0	112.6	T321 V322 G344 M360 L361 N365 L366 Y367	T321-K363 PolarHBondContact O-NZ 3.02Å; V322-K363 HydrophobicContact CG2-CB 4.38Å; V322-K363 HydrophobicContact CG2-CD 4.48Å; G344-K363 WeakPolarHBondContact O-CE 3.47Å; M360-K363 HydrophobicContact CE-CB 4.18Å; M360-K363 HydrophobicContact CE-CG 4.1Å; M360-K363 PolarHBondContact O-N 3.35Å; M360-K363 HydrophobicContact SD-CG 4.34Å; L361-K363 VanDerWaalsContact C-N 3.31Å; L361-K363 PolarHBondContact O-N 2.93Å; K363-N365 VanDerWaalsContact C-N 3.34Å; K363-L366 PolarHBondContact O-N 3.2Å; K363-Y367 WeakPolarHBondContact O-CB 3.41Å; K363-Y367 PolarHBondContact O-N 2.8Å
364	A	97.9	Very high	95.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.4	-42.2	173.9	0	0	0	0	0	111.8	M360 L361 Y367 A368 S382 A386 V422	M360-A364 PolarHBondContact O-N 3.16Å; L361-A364 PolarHBondContact O-N 2.66Å; A364-Y367 PolarHBondContact O-N 2.71Å; A364-A368 WeakPolarHBondContact O-CB 3.4Å; A364-A368 PolarHBondContact O-N 3.47Å; A364-S382 WeakPolarHBondContact CB-O 3.28Å; A364-A386 HydrophobicContact CB-CB 4.29Å; A364-V422 HydrophobicContact CB-CG1 4.18Å; A364-V422 HydrophobicContact CB-CG2 4.21Å
365	N	98	Very high	95.7	Very high	17 Å²	17	48.6 Å²	48.6	9%	0.091	23%	0.23	C	C	.	.	H	α-helix	trans	-63.4	-45.8	176.5	178.9	-88.8	0	0	0	112.1	L361 E362 K363 Y367 A368 Q369 V422 A423 I425	L361-N365 WeakPolarHBondContact O-CB 3.33Å; L361-N365 PolarHBondContact O-N 3.37Å; E362-N365 PolarHBondContact O-N 3.14Å; K363-N365 VanDerWaalsContact C-N 3.34Å; N365-Y367 VanDerWaalsContact C-N 3.34Å; N365-Y367 PolarHBondContact O-N 3.37Å; N365-A368 WeakPolarHBondContact O-CA 3.36Å; N365-A368 WeakPolarHBondContact O-CB 3.33Å; N365-A368 PolarHBondContact O-N 2.59Å; N365-A368 VanDerWaalsContact O-N 3.13Å; N365-Q369 WeakPolarHBondContact O-CG 3.41Å; N365-Q369 PolarHBondContact O-N 2.68Å; N365-Q369 PolarHBondContact OD1-NE2 3.27Å; N365-V422 WeakPolarHBondContact CB-O 3.38Å; N365-V422 PolarHBondContact ND2-O 3.03Å; N365-A423 PolarHBondContact ND2-O 3.34Å; N365-A423 VanDerWaalsContact ND2-O 3.11Å; N365-I425 HydrophobicContact CB-CD1 4.03Å; N365-I425 HydrophobicContact CB-CG1 3.68Å
366	L	96.4	Very high	96.1	Very high	24 Å²	24	42.1 Å²	42.1	13%	0.126	21%	0.206	C	C	.	.	H	α-helix	trans	-65	-40.3	178.7	-177.4	56.5	0	0	0	111.5	V322 I324 E362 K363 A368 Q369 L370	V322-L366 HydrophobicContact CB-CD2 4.12Å; V322-L366 HydrophobicContact CB-CG 4.38Å; V322-L366 HydrophobicContact CG1-CB 4.27Å; V322-L366 HydrophobicContact CG1-CD2 4.11Å; V322-L366 HydrophobicContact CG1-CG 3.84Å; V322-L366 WeakPolarHBondContact O-CD2 3.38Å; I324-L366 HydrophobicContact CD1-CD1 3.66Å; I324-L366 HydrophobicContact CD1-CD2 3.69Å; I324-L366 HydrophobicContact CD1-CG 4.31Å; I324-L366 HydrophobicContact CG1-CD1 3.85Å; I324-L366 HydrophobicContact CG1-CD2 3.68Å; I324-L366 HydrophobicContact CG1-CG 4.28Å; E362-L366 VanDerWaalsContact O-CB 3.29Å; E362-L366 WeakPolarHBondContact O-CB 3.39Å; E362-L366 PolarHBondContact O-N 2.92Å; K363-L366 PolarHBondContact O-N 3.2Å; L366-A368 VanDerWaalsContact C-N 3.3Å; L366-A368 PolarHBondContact O-N 3.11Å; L366-Q369 PolarHBondContact O-N 2.91Å; L366-L370 HydrophobicContact CD1-CD1 3.78Å; L366-L370 HydrophobicContact CD1-CG 4.14Å; L366-L370 HydrophobicContact CG-CD1 3.96Å; L366-L370 WeakPolarHBondContact O-CB 3.35Å; L366-L370 WeakPolarHBondContact O-CG 3.28Å; L366-L370 PolarHBondContact O-N 3.32Å; L366-L370 VanDerWaalsContact O-N 3.1Å
367	Y	96.9	Very high	96.5	Very high	6 Å²	6	43.5 Å²	43.5	2%	0.024	21%	0.21	C	C	.	.	H	α-helix	trans	-59.6	-44.6	171.2	174.6	-89.4	0	0	0	111.2	L331 K363 A364 N365 Q369 L370 Y371 I372 F384 L385	L331-Y367 HydrophobicContact CB-CD2 4.31Å; L331-Y367 HydrophobicContact CB-CE2 3.87Å; L331-Y367 HydrophobicContact CD1-CD2 4.23Å; K363-Y367 WeakPolarHBondContact O-CB 3.41Å; K363-Y367 PolarHBondContact O-N 2.8Å; A364-Y367 PolarHBondContact O-N 2.71Å; N365-Y367 VanDerWaalsContact C-N 3.34Å; N365-Y367 PolarHBondContact O-N 3.37Å; Y367-Q369 VanDerWaalsContact C-N 3.29Å; Y367-Q369 PolarHBondContact O-N 3.28Å; Y367-L370 PolarHBondContact O-N 3.22Å; Y367-Y371 AromaticContact CD2-CD2 3.31Å; Y367-Y371 HydrophobicContact CD2-CD2 3.31Å; Y367-Y371 HydrophobicContact CD2-CE2 4.05Å; Y367-Y371 AromaticContact CD2-CG 3.98Å; Y367-Y371 HydrophobicContact CD2-CG 3.98Å; Y367-Y371 AromaticContact CE2-CD2 3.83Å; Y367-Y371 HydrophobicContact CE2-CD2 3.83Å; Y367-Y371 HydrophobicContact CE2-CG 4.02Å; Y367-Y371 AromaticContact CG-CD2 3.88Å; Y367-Y371 HydrophobicContact CG-CD2 3.88Å; Y367-Y371 WeakPolarHBondContact O-CD2 3.27Å; Y367-Y371 PolarHBondContact O-N 3.09Å; Y367-I372 HydrophobicContact CE1-CG2 3.95Å; Y367-F384 HydrophobicContact CE1-CE1 4.1Å; Y367-L385 HydrophobicContact CD1-CD1 3.84Å; Y367-L385 HydrophobicContact CD2-CD1 3.41Å; Y367-L385 VanDerWaalsContact CD2-CD1 3.41Å; Y367-L385 HydrophobicContact CE1-CD1 4.49Å; Y367-L385 HydrophobicContact CE2-CD1 4.1Å; Y367-L385 HydrophobicContact CG-CD1 3.24Å
368	A	97.3	Very high	96.6	Very high	4 Å²	4	41.5 Å²	41.5	3%	0.033	20%	0.2	C	C	.	.	H	α-helix	trans	-59.1	-40.6	178.3	0	0	0	0	0	112.4	A364 N365 L366 I372 L379 V422	A364-A368 WeakPolarHBondContact O-CB 3.4Å; A364-A368 PolarHBondContact O-N 3.47Å; N365-A368 WeakPolarHBondContact O-CA 3.36Å; N365-A368 WeakPolarHBondContact O-CB 3.33Å; N365-A368 PolarHBondContact O-N 2.59Å; N365-A368 VanDerWaalsContact O-N 3.13Å; L366-A368 VanDerWaalsContact C-N 3.3Å; L366-A368 PolarHBondContact O-N 3.11Å; A368-I372 HydrophobicContact CB-CD1 4Å; A368-I372 HydrophobicContact CB-CG1 4.26Å; A368-I372 WeakPolarHBondContact O-CG1 3.35Å; A368-L379 HydrophobicContact CB-CD2 4.05Å; A368-V422 HydrophobicContact CB-CG1 4.22Å
369	Q	96.4	Very high	96.6	Very high	139 Å²	139	42.9 Å²	42.9	65%	0.65	21%	0.207	S	C	*	.	H	α-helix	trans	-69.7	-33.5	178.4	-71	-175.9	70.9	0	0	113.3	N365 L366 Y367	N365-Q369 WeakPolarHBondContact O-CG 3.41Å; N365-Q369 PolarHBondContact O-N 2.68Å; N365-Q369 PolarHBondContact OD1-NE2 3.27Å; L366-Q369 PolarHBondContact O-N 2.91Å; Y367-Q369 VanDerWaalsContact C-N 3.29Å; Y367-Q369 PolarHBondContact O-N 3.28Å
370	L	95.5	Very high	96.6	Very high	57 Å²	57	42.6 Å²	42.6	30%	0.298	21%	0.206	S	C	.	.	H	α-helix	trans	-93.7	-38.3	-171.4	-67.3	175	0	0	0	113.7	V322 H328 L366 Y367	V322-L370 HydrophobicContact CG1-CD1 4.29Å; H328-L370 PolarHBondContact CE1-O 3.22Å; L366-L370 HydrophobicContact CD1-CD1 3.78Å; L366-L370 HydrophobicContact CD1-CG 4.14Å; L366-L370 HydrophobicContact CG-CD1 3.96Å; L366-L370 WeakPolarHBondContact O-CB 3.35Å; L366-L370 WeakPolarHBondContact O-CG 3.28Å; L366-L370 PolarHBondContact O-N 3.32Å; L366-L370 VanDerWaalsContact O-N 3.1Å; Y367-L370 PolarHBondContact O-N 3.22Å
371	Y	95	Very high	96.5	Very high	20 Å²	20	43.8 Å²	43.8	8%	0.078	21%	0.21	C	C	.	.	H	α-helix	trans	-116.8	-9.4	-162.1	-57.4	-73	0	0	0	115.6	V322 H328 M329 L331 K332 Y367	V322-Y371 HydrophobicContact CG1-CE2 3.75Å; H328-Y371 AromaticContact CD2-CE1 3.91Å; H328-Y371 AromaticContact CE1-CD1 3.42Å; H328-Y371 VanDerWaalsContact CE1-CD1 3.42Å; H328-Y371 WeakPolarHBondContact CE1-CD1 3.44Å; H328-Y371 AromaticContact CE1-CE1 3.22Å; H328-Y371 WeakPolarHBondContact CE1-CE1 3.04Å; H328-Y371 AromaticContact ND1-CE1 3.67Å; H328-Y371 AromaticContact NE2-CD1 3.44Å; H328-Y371 WeakPolarHBondContact NE2-CD1 3.42Å; H328-Y371 AromaticContact NE2-CE1 3.38Å; H328-Y371 WeakPolarHBondContact NE2-CE1 3.46Å; M329-Y371 PolarHBondContact N-OH 3.28Å; M329-Y371 WeakPolarHBondContact O-CE1 3.41Å; L331-Y371 HydrophobicContact CD1-CD2 4.41Å; L331-Y371 HydrophobicContact CD1-CE2 3.8Å; L331-Y371 HydrophobicContact CG-CE2 4.47Å; K332-Y371 WeakPolarHBondContact CD-O 3.16Å; Y367-Y371 AromaticContact CD2-CD2 3.31Å; Y367-Y371 HydrophobicContact CD2-CD2 3.31Å; Y367-Y371 HydrophobicContact CD2-CE2 4.05Å; Y367-Y371 AromaticContact CD2-CG 3.98Å; Y367-Y371 HydrophobicContact CD2-CG 3.98Å; Y367-Y371 AromaticContact CE2-CD2 3.83Å; Y367-Y371 HydrophobicContact CE2-CD2 3.83Å; Y367-Y371 HydrophobicContact CE2-CG 4.02Å; Y367-Y371 AromaticContact CG-CD2 3.88Å; Y367-Y371 HydrophobicContact CG-CD2 3.88Å; Y367-Y371 WeakPolarHBondContact O-CD2 3.27Å; Y367-Y371 PolarHBondContact O-N 3.09Å
372	I	93.1	Very high	96.5	Very high	27 Å²	27	43.7 Å²	43.7	14%	0.138	21%	0.21	C	C	.	.	S	Bend	trans	-128.5	162.2	-179.1	58.9	148.1	0	0	0	112	K332 Y367 A368 N378 S382	K332-I372 HydrophobicContact CD-CG2 4.17Å; Y367-I372 HydrophobicContact CE1-CG2 3.95Å; A368-I372 HydrophobicContact CB-CD1 4Å; A368-I372 HydrophobicContact CB-CG1 4.26Å; A368-I372 WeakPolarHBondContact O-CG1 3.35Å; I372-N378 HydrophobicContact CB-CB 4.46Å; I372-N378 HydrophobicContact CD1-CB 3.51Å; I372-N378 WeakPolarHBondContact CD1-O 3.24Å; I372-S382 WeakPolarHBondContact CD1-OG 3.31Å
373	R	94.6	Very high	96.5	Very high	211 Å²	211	41.4 Å²	41.4	80%	0.796	20%	0.199	S	C	*	.			trans	-82.4	119.4	163.2	-67.5	-72.5	-173.8	156.7	-0.2	108	N375 N378	R373-N375 PolarHBondContact O-N 3.01Å; R373-N378 WeakPolarHBondContact O-CB 3.43Å; R373-N378 PolarHBondContact O-ND2 2.88Å
374	P	92.9	Very high	96.5	Very high	96 Å²	96	41 Å²	41	62%	0.623	20%	0.198	S	C	*	.			trans	-69	126.2	-177.2	27.7	-34.2	0	0	0	110.8	L379	P374-L379 HydrophobicContact CB-CD2 4.26Å; P374-L379 HydrophobicContact CB-CG 4.35Å
375	N	96.2	Very high	96.4	Very high	60 Å²	60	41.1 Å²	41.1	32%	0.321	20%	0.198	S	C	.	.	S	Bend	trans	-152.1	173.7	164.3	64.9	25.7	0	0	0	107.3	R373 Q377 N378 L379	R373-N375 PolarHBondContact O-N 3.01Å; N375-Q377 VanDerWaalsContact C-N 3.34Å; N375-Q377 PolarHBondContact O-N 2.97Å; N375-Q377 PolarHBondContact OD1-N 2.72Å; N375-N378 PolarHBondContact ND2-ND2 2.83Å; N375-N378 PolarHBondContact O-N 2.8Å; N375-N378 VanDerWaalsContact OD1-CB 3.25Å; N375-N378 WeakPolarHBondContact OD1-CB 3.33Å; N375-N378 VanDerWaalsContact OD1-CG 3.22Å; N375-N378 PolarHBondContact OD1-N 3.39Å; N375-N378 PolarHBondContact OD1-ND2 2.83Å; N375-L379 VanDerWaalsContact O-CB 3.31Å; N375-L379 WeakPolarHBondContact O-CB 3.43Å; N375-L379 VanDerWaalsContact O-CG 3.24Å; N375-L379 WeakPolarHBondContact O-CG 3.38Å; N375-L379 PolarHBondContact O-N 2.73Å
376	E	97.6	Very high	96.4	Very high	41 Å²	41	40.3 Å²	40.3	19%	0.192	19%	0.194	C	C	.	.	H	α-helix	trans	-51.2	-51.6	-176.2	-172.7	69.7	-178.4	0	0	112.2	T59 S380 C417 A419	T59-E376 WeakPolarHBondContact CB-OE1 3.24Å; T59-E376 PolarHBondContact N-OE1 3.29Å; T59-E376 PolarHBondContact OG1-OE1 3.47Å; E376-S380 WeakPolarHBondContact O-CB 3.16Å; E376-S380 PolarHBondContact O-N 2.86Å; E376-S380 PolarHBondContact O-OG 2.55Å; E376-C417 PolarHBondContact OE1-SG 2.95Å; E376-C417 VanDerWaalsContact OE1-SG 3.36Å; E376-A419 HydrophobicContact CG-CB 4.41Å; E376-A419 WeakPolarHBondContact O-CB 3.4Å; E376-A419 WeakPolarHBondContact OE2-CB 3.3Å
377	Q	97.1	Very high	96.5	Very high	38 Å²	38	39.5 Å²	39.5	18%	0.178	19%	0.19	C	C	.	.	H	α-helix	trans	-65.5	-51.6	-178.6	-173	166.7	5.9	0	0	112	A56 N375 L379 S380 R381 E395	A56-Q377 HydrophobicContact CB-CB 4.13Å; N375-Q377 VanDerWaalsContact C-N 3.34Å; N375-Q377 PolarHBondContact O-N 2.97Å; N375-Q377 PolarHBondContact OD1-N 2.72Å; Q377-L379 VanDerWaalsContact C-N 3.31Å; Q377-L379 PolarHBondContact O-N 2.94Å; Q377-S380 PolarHBondContact O-N 2.9Å; Q377-S380 VanDerWaalsContact O-N 3.14Å; Q377-S380 PolarHBondContact O-OG 3.05Å; Q377-R381 HydrophobicContact CG-CG 4.2Å; Q377-R381 WeakPolarHBondContact O-CG 3.43Å; Q377-R381 PolarHBondContact O-N 2.81Å; Q377-E395 PolarHBondContact NE2-O 3.46Å; Q377-E395 PolarHBondContact NE2-OE2 2.97Å
378	N	96.5	Very high	96.5	Very high	54 Å²	54	40.3 Å²	40.3	29%	0.289	20%	0.2	S	C	.	.	H	α-helix	trans	-63.9	-36.3	-176.7	-67.9	-19.1	0	0	0	112.3	I372 R373 N375 R381 S382	I372-N378 HydrophobicContact CB-CB 4.46Å; I372-N378 HydrophobicContact CD1-CB 3.51Å; I372-N378 WeakPolarHBondContact CD1-O 3.24Å; R373-N378 WeakPolarHBondContact O-CB 3.43Å; R373-N378 PolarHBondContact O-ND2 2.88Å; N375-N378 PolarHBondContact ND2-ND2 2.83Å; N375-N378 PolarHBondContact O-N 2.8Å; N375-N378 VanDerWaalsContact OD1-CB 3.25Å; N375-N378 WeakPolarHBondContact OD1-CB 3.33Å; N375-N378 VanDerWaalsContact OD1-CG 3.22Å; N375-N378 PolarHBondContact OD1-N 3.39Å; N375-N378 PolarHBondContact OD1-ND2 2.83Å; N378-R381 PolarHBondContact O-N 3.07Å; N378-S382 PolarHBondContact O-N 3.13Å; N378-S382 PolarHBondContact O-OG 2.62Å
379	L	98.3	Very high	96.3	Very high	29 Å²	29	45.1 Å²	45.1	15%	0.152	23%	0.225	C	C	.	.	H	α-helix	trans	-63.3	-49.4	172.7	-72.6	169.1	0	0	0	110.6	A368 P374 N375 Q377 R381 S382 A419 A423	A368-L379 HydrophobicContact CB-CD2 4.05Å; P374-L379 HydrophobicContact CB-CD2 4.26Å; P374-L379 HydrophobicContact CB-CG 4.35Å; N375-L379 VanDerWaalsContact O-CB 3.31Å; N375-L379 WeakPolarHBondContact O-CB 3.43Å; N375-L379 VanDerWaalsContact O-CG 3.24Å; N375-L379 WeakPolarHBondContact O-CG 3.38Å; N375-L379 PolarHBondContact O-N 2.73Å; Q377-L379 VanDerWaalsContact C-N 3.31Å; Q377-L379 PolarHBondContact O-N 2.94Å; L379-R381 VanDerWaalsContact C-N 3.28Å; L379-R381 PolarHBondContact O-N 2.96Å; L379-S382 WeakPolarHBondContact O-CB 3.38Å; L379-S382 PolarHBondContact O-N 2.78Å; L379-A419 HydrophobicContact CB-CB 3.81Å; L379-A423 HydrophobicContact CD1-CB 4.2Å; L379-A423 HydrophobicContact CD2-CB 4.19Å
380	S	98	Very high	96.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.2	-37.1	176.7	75.5	0	0	0	0	112.5	E376 Q377 L383 S418	E376-S380 WeakPolarHBondContact O-CB 3.16Å; E376-S380 PolarHBondContact O-N 2.86Å; E376-S380 PolarHBondContact O-OG 2.55Å; Q377-S380 PolarHBondContact O-N 2.9Å; Q377-S380 VanDerWaalsContact O-N 3.14Å; Q377-S380 PolarHBondContact O-OG 3.05Å; S380-L383 VanDerWaalsContact O-CB 3.22Å; S380-L383 WeakPolarHBondContact O-CB 3.35Å; S380-L383 PolarHBondContact O-N 3.11Å; S380-S418 VanDerWaalsContact CB-OG 3.24Å; S380-S418 WeakPolarHBondContact CB-OG 3.01Å
381	R	96.9	Very high	96.5	Very high	24 Å²	24	39.6 Å²	39.6	9%	0.091	20%	0.202	C	C	.	.	H	α-helix	trans	-70.4	-34.3	178.6	-66.9	-43.9	92.1	-118.6	2.5	112.4	Q377 N378 L379 L383 F384 L391 E395	Q377-R381 HydrophobicContact CG-CG 4.2Å; Q377-R381 WeakPolarHBondContact O-CG 3.43Å; Q377-R381 PolarHBondContact O-N 2.81Å; N378-R381 PolarHBondContact O-N 3.07Å; L379-R381 VanDerWaalsContact C-N 3.28Å; L379-R381 PolarHBondContact O-N 2.96Å; R381-L383 PolarHBondContact O-N 2.77Å; R381-F384 WeakPolarHBondContact O-CB 3.06Å; R381-F384 VanDerWaalsContact O-CD1 3.25Å; R381-F384 WeakPolarHBondContact O-CD1 3.39Å; R381-F384 PolarHBondContact O-N 3.28Å; R381-L391 VanDerWaalsContact NH1-CG 3.25Å; R381-E395 WeakPolarHBondContact CD-OE1 3.17Å
382	S	97.5	Very high	96.6	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.014	20%	0.199	C	C	.	.	H	α-helix	trans	-58.2	-18.3	177.4	-60.8	0	0	0	0	113.7	A364 I372 N378 L379 F384	A364-S382 WeakPolarHBondContact CB-O 3.28Å; I372-S382 WeakPolarHBondContact CD1-OG 3.31Å; N378-S382 PolarHBondContact O-N 3.13Å; N378-S382 PolarHBondContact O-OG 2.62Å; L379-S382 WeakPolarHBondContact O-CB 3.38Å; L379-S382 PolarHBondContact O-N 2.78Å; S382-F384 PolarHBondContact O-N 3.47Å
383	L	98.1	Very high	96.9	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-26.9	171.5	-175.4	65	0	0	0	113.2	L98 L361 S380 R381 L385 A386 T387 L391 V422	L98-L383 HydrophobicContact CD1-CD1 4.35Å; L98-L383 HydrophobicContact CD1-CD2 4.22Å; L98-L383 HydrophobicContact CD2-CD2 4.12Å; L361-L383 HydrophobicContact CD2-CD1 3.64Å; S380-L383 VanDerWaalsContact O-CB 3.22Å; S380-L383 WeakPolarHBondContact O-CB 3.35Å; S380-L383 PolarHBondContact O-N 3.11Å; R381-L383 PolarHBondContact O-N 2.77Å; L383-L385 PolarHBondContact O-N 3.06Å; L383-A386 HydrophobicContact CD1-CB 4.34Å; L383-A386 WeakPolarHBondContact O-CB 3.39Å; L383-A386 PolarHBondContact O-N 3.33Å; L383-T387 HydrophobicContact CD1-CG2 3.87Å; L383-T387 HydrophobicContact CD2-CG2 4.21Å; L383-T387 HydrophobicContact CG-CG2 3.75Å; L383-T387 PolarHBondContact O-N 2.77Å; L383-T387 VanDerWaalsContact O-N 3.13Å; L383-T387 PolarHBondContact O-OG1 3.21Å; L383-L391 HydrophobicContact CB-CD2 3.95Å; L383-L391 HydrophobicContact CD2-CD2 4.34Å; L383-L391 HydrophobicContact CG-CD2 4.29Å; L383-V422 HydrophobicContact CB-CG2 4.07Å; L383-V422 HydrophobicContact CD1-CG2 4.25Å
384	F	97.1	Very high	97	Very high	12 Å²	12	29.6 Å²	29.6	5%	0.053	17%	0.166	C	C	.	.	H	α-helix	trans	-52.2	-35.6	-176.1	88.8	-90.5	0	0	0	112.8	H335 Y367 R381 S382 A386 T387 G388 D389 L391	H335-F384 HydrophobicContact CB-CZ 4.29Å; H335-F384 AromaticContact CD2-CD2 3.85Å; H335-F384 AromaticContact CD2-CE2 3.14Å; H335-F384 WeakPolarHBondContact CD2-CE2 3.47Å; H335-F384 AromaticContact CD2-CZ 3.25Å; H335-F384 WeakPolarHBondContact CD2-CZ 3.45Å; H335-F384 AromaticContact CG-CZ 3.67Å; H335-F384 AromaticContact NE2-CD2 3.65Å; H335-F384 AromaticContact NE2-CE2 3.43Å; H335-F384 WeakPolarHBondContact NE2-CE2 3.43Å; H335-F384 AromaticContact NE2-CZ 3.62Å; Y367-F384 HydrophobicContact CE1-CE1 4.1Å; R381-F384 WeakPolarHBondContact O-CB 3.06Å; R381-F384 VanDerWaalsContact O-CD1 3.25Å; R381-F384 WeakPolarHBondContact O-CD1 3.39Å; R381-F384 PolarHBondContact O-N 3.28Å; S382-F384 PolarHBondContact O-N 3.47Å; F384-A386 VanDerWaalsContact C-N 3.34Å; F384-A386 PolarHBondContact O-N 2.91Å; F384-T387 PolarHBondContact O-N 2.92Å; F384-G388 WeakPolarHBondContact O-CA 3.42Å; F384-G388 PolarHBondContact O-N 2.62Å; F384-D389 PolarHBondContact O-N 3.26Å; F384-L391 HydrophobicContact CB-CD1 4.27Å; F384-L391 HydrophobicContact CB-CD2 4.09Å; F384-L391 HydrophobicContact CB-CG 4.43Å
385	L	96.2	Very high	97.1	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.01	16%	0.164	C	C	.	.	H	α-helix	trans	-63.2	-41.8	178.3	-72.3	175.6	0	0	0	112	V341 T343 Y367 L383	V341-L385 HydrophobicContact CB-CD2 4.47Å; V341-L385 HydrophobicContact CG1-CD2 3.86Å; T343-L385 HydrophobicContact CG2-CB 4.17Å; T343-L385 HydrophobicContact CG2-CD1 4.13Å; T343-L385 HydrophobicContact CG2-CD2 3.77Å; T343-L385 HydrophobicContact CG2-CG 4.25Å; T343-L385 PolarHBondContact OG1-O 2.92Å; T343-L385 VanDerWaalsContact OG1-O 3.11Å; Y367-L385 HydrophobicContact CD1-CD1 3.84Å; Y367-L385 HydrophobicContact CD2-CD1 3.41Å; Y367-L385 VanDerWaalsContact CD2-CD1 3.41Å; Y367-L385 HydrophobicContact CE1-CD1 4.49Å; Y367-L385 HydrophobicContact CE2-CD1 4.1Å; Y367-L385 HydrophobicContact CG-CD1 3.24Å; L383-L385 PolarHBondContact O-N 3.06Å
386	A	98	Very high	97	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-75.2	-34.2	-178.5	0	0	0	0	0	111.7	T101 R102 M360 L361 A364 L383 F384	T101-A386 CarbonylContact C-O 3.53Å; T101-A386 WeakPolarHBondContact CA-O 3.39Å; T101-A386 VanDerWaalsContact CB-O 3.31Å; T101-A386 WeakPolarHBondContact CB-O 3.33Å; T101-A386 HydrophobicContact CG2-CB 3.79Å; R102-A386 PolarHBondContact N-O 2.84Å; M360-A386 HydrophobicContact CB-CB 3.77Å; M360-A386 WeakPolarHBondContact O-CB 3.48Å; L361-A386 HydrophobicContact CD2-CB 4.5Å; A364-A386 HydrophobicContact CB-CB 4.29Å; L383-A386 HydrophobicContact CD1-CB 4.34Å; L383-A386 WeakPolarHBondContact O-CB 3.39Å; L383-A386 PolarHBondContact O-N 3.33Å; F384-A386 VanDerWaalsContact C-N 3.34Å; F384-A386 PolarHBondContact O-N 2.91Å
387	T	98.2	Very high	96.9	Very high	7 Å²	7	33.6 Å²	33.6	4%	0.043	17%	0.174	C	C	.	.	H	α-helix	trans	-104.8	2	-170.8	58.2	0	0	0	0	114.2	P99 T101 L383 F384 V390	P99-T387 HydrophobicContact CB-CG2 3.88Å; P99-T387 HydrophobicContact CG-CG2 4.28Å; T101-T387 HydrophobicContact CG2-CG2 4.46Å; L383-T387 HydrophobicContact CD1-CG2 3.87Å; L383-T387 HydrophobicContact CD2-CG2 4.21Å; L383-T387 HydrophobicContact CG-CG2 3.75Å; L383-T387 PolarHBondContact O-N 2.77Å; L383-T387 VanDerWaalsContact O-N 3.13Å; L383-T387 PolarHBondContact O-OG1 3.21Å; F384-T387 PolarHBondContact O-N 2.92Å; T387-V390 VanDerWaalsContact CB-O 3.27Å; T387-V390 WeakPolarHBondContact CB-O 3.38Å; T387-V390 PolarHBondContact OG1-O 2.86Å
388	G	95.4	Very high	96.9	Very high	23 Å²	23	36.8 Å²	36.8	24%	0.237	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	40.6	-178.2	0	0	0	0	0	113.5	R102 F384 V390	R102-G388 VanDerWaalsContact CZ-CA 3.47Å; F384-G388 WeakPolarHBondContact O-CA 3.42Å; F384-G388 PolarHBondContact O-N 2.62Å; G388-V390 PolarHBondContact O-N 3.2Å
389	D	93.9	Very high	97	Very high	104 Å²	104	38.8 Å²	38.8	56%	0.556	19%	0.193	S	C	*	.	S	Bend	trans	67.8	17.1	-179	-153.3	23	0	0	0	115.2	F384	F384-D389 PolarHBondContact O-N 3.26Å
390	V	97.2	Very high	96.9	Very high	60 Å²	60	40.5 Å²	40.5	36%	0.364	20%	0.204	S	C	.	.			trans	-87.2	113.7	166.2	-172.4	0	0	0	0	108.3	P99 T387 G388 W401	P99-V390 HydrophobicContact CB-CB 4.07Å; P99-V390 HydrophobicContact CB-CG1 3.87Å; P99-V390 HydrophobicContact CG-CB 4.14Å; P99-V390 HydrophobicContact CG-CG1 3.69Å; P99-V390 WeakPolarHBondContact CG-O 3.27Å; T387-V390 VanDerWaalsContact CB-O 3.27Å; T387-V390 WeakPolarHBondContact CB-O 3.38Å; T387-V390 PolarHBondContact OG1-O 2.86Å; G388-V390 PolarHBondContact O-N 3.2Å; V390-W401 HydrophobicContact CG1-CB 4.37Å; V390-W401 HydrophobicContact CG1-CD2 4.48Å; V390-W401 HydrophobicContact CG1-CG 3.9Å
391	L	98.3	Very high	97	Very high	20 Å²	20	41.2 Å²	41.2	11%	0.105	21%	0.207	C	C	.	.			trans	-124.3	142.3	-175.3	-64.9	173.4	0	0	0	110.2	R381 L383 F384 L393 V400 W401	R381-L391 VanDerWaalsContact NH1-CG 3.25Å; L383-L391 HydrophobicContact CB-CD2 3.95Å; L383-L391 HydrophobicContact CD2-CD2 4.34Å; L383-L391 HydrophobicContact CG-CD2 4.29Å; F384-L391 HydrophobicContact CB-CD1 4.27Å; F384-L391 HydrophobicContact CB-CD2 4.09Å; F384-L391 HydrophobicContact CB-CG 4.43Å; L391-L393 PolarHBondContact O-N 3.36Å; L391-V400 WeakPolarHBondContact O-CG2 3.27Å; L391-W401 WeakPolarHBondContact O-CB 3.39Å
392	P	98.6	Very high	97	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.019	20%	0.204	C	C	.	.	S	Bend	trans	-62.1	-41.8	178.4	-22.7	32.4	0	0	0	113.3	E46 L98 R399 V400 W401	E46-P392 HydrophobicContact CB-CB 3.96Å; E46-P392 HydrophobicContact CG-CB 4.19Å; E46-P392 WeakPolarHBondContact OE2-CB 3.35Å; L98-P392 HydrophobicContact CD2-CG 3.91Å; P392-R399 CarbonylContact O-C 3.6Å; P392-R399 WeakPolarHBondContact O-CA 3.31Å; P392-V400 PolarHBondContact O-N 2.92Å; P392-W401 WeakPolarHBondContact CA-O 3.32Å; P392-W401 HydrophobicContact CB-CE3 4.47Å; P392-W401 HydrophobicContact CG-CE3 4.33Å; P392-W401 PolarHBondContact O-N 3Å; P392-W401 VanDerWaalsContact O-N 3.08Å
393	L	98.4	Very high	96.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-114.8	145.7	-179.3	-54.1	-179.4	0	0	0	111.3	E46 F49 T59 L391 E398 R399	E46-L393 HydrophobicContact CB-CD1 4.14Å; E46-L393 HydrophobicContact CB-CD2 3.97Å; E46-L393 HydrophobicContact CB-CG 3.91Å; F49-L393 HydrophobicContact CD1-CD1 4.14Å; F49-L393 HydrophobicContact CD2-CD1 4.26Å; F49-L393 HydrophobicContact CE1-CD1 3.79Å; F49-L393 HydrophobicContact CE2-CB 4.31Å; F49-L393 HydrophobicContact CE2-CD1 3.92Å; F49-L393 HydrophobicContact CG-CD1 4.35Å; F49-L393 HydrophobicContact CZ-CB 4.35Å; F49-L393 HydrophobicContact CZ-CD1 3.67Å; T59-L393 HydrophobicContact CG2-CD1 4.04Å; L391-L393 PolarHBondContact O-N 3.36Å; L393-E398 CarbonylContact C-O 3.53Å; L393-E398 WeakPolarHBondContact CA-O 3.36Å; L393-R399 HydrophobicContact CD2-CB 4.05Å
394	N	97.1	Very high	96.9	Very high	45 Å²	45	49.1 Å²	49.1	24%	0.241	25%	0.253	C	S	.	.			trans	-82	-179	168.6	71.6	15.1	0	0	0	112	K396 G397 E398 V400	N394-K396 PolarHBondContact O-N 2.59Å; N394-K396 VanDerWaalsContact O-N 3.11Å; N394-K396 WeakPolarHBondContact OD1-CA 3.19Å; N394-K396 WeakPolarHBondContact OD1-CB 3.48Å; N394-K396 PolarHBondContact OD1-N 2.75Å; N394-G397 PolarHBondContact O-N 2.84Å; N394-G397 PolarHBondContact OD1-N 3.46Å; N394-E398 PolarHBondContact N-O 3.33Å; N394-E398 PolarHBondContact ND2-OE2 3.37Å; N394-E398 PolarHBondContact OD1-N 2.93Å; N394-V400 HydrophobicContact CB-CG1 3.82Å; N394-V400 HydrophobicContact CB-CG2 4.32Å
395	E	94.5	Very high	96.9	Very high	122 Å²	122	54.5 Å²	54.5	57%	0.57	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-19.6	-179.6	-66.7	-52.5	139.8	0	0	115.1	Q377 R381 G397	Q377-E395 PolarHBondContact NE2-O 3.46Å; Q377-E395 PolarHBondContact NE2-OE2 2.97Å; R381-E395 WeakPolarHBondContact CD-OE1 3.17Å; E395-G397 VanDerWaalsContact C-N 3.34Å
396	K	94.1	Very high	97	Very high	153 Å²	153	55.9 Å²	55.9	67%	0.665	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	1.4	175.2	-62.6	-179.6	-179.5	176.8	0	112.9	Y51 N394 E398	Y51-K396 PolarHBondContact OH-O 3.32Å; N394-K396 PolarHBondContact O-N 2.59Å; N394-K396 VanDerWaalsContact O-N 3.11Å; N394-K396 WeakPolarHBondContact OD1-CA 3.19Å; N394-K396 WeakPolarHBondContact OD1-CB 3.48Å; N394-K396 PolarHBondContact OD1-N 2.75Å; K396-E398 VanDerWaalsContact C-N 3.32Å; K396-E398 HydrophobicContact CB-CG 4.13Å
397	G	96	Very high	97	Very high	7 Å²	7	59.3 Å²	59.3	7%	0.072	31%	0.305	C	S	.	.	S	Bend	trans	73.5	21.1	-174.4	0	0	0	0	0	113.8	G48 N394 E395	G48-G397 WeakPolarHBondContact CA-O 3.31Å; N394-G397 PolarHBondContact O-N 2.84Å; N394-G397 PolarHBondContact OD1-N 3.46Å; E395-G397 VanDerWaalsContact C-N 3.34Å
398	E	97	Very high	97	Very high	104 Å²	104	59 Å²	59	49%	0.486	30%	0.303	S	S	.	.			trans	-91	136.7	175.2	-55.4	164	152.3	0	0	109.3	L393 N394 K396 V400	L393-E398 CarbonylContact C-O 3.53Å; L393-E398 WeakPolarHBondContact CA-O 3.36Å; N394-E398 PolarHBondContact N-O 3.33Å; N394-E398 PolarHBondContact ND2-OE2 3.37Å; N394-E398 PolarHBondContact OD1-N 2.93Å; K396-E398 VanDerWaalsContact C-N 3.32Å; K396-E398 HydrophobicContact CB-CG 4.13Å; E398-V400 PolarHBondContact O-N 2.84Å
399	R	97.6	Very high	97.2	Very high	97 Å²	97	58.5 Å²	58.5	37%	0.366	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-65.8	121.3	177.2	-173.9	179.1	62.5	-145.6	0.5	110.9	E46 P392 L393 W401	E46-R399 WeakPolarHBondContact O-CD 3.32Å; P392-R399 CarbonylContact O-C 3.6Å; P392-R399 WeakPolarHBondContact O-CA 3.31Å; L393-R399 HydrophobicContact CD2-CB 4.05Å; R399-W401 VanDerWaalsContact CG-O 3.29Å; R399-W401 WeakPolarHBondContact CG-O 3.49Å
400	V	97.9	Very high	97.4	Very high	64 Å²	64	53.6 Å²	53.6	39%	0.388	27%	0.269	S	S	.	.			trans	-116.2	-14.4	175	-64.9	0	0	0	0	112.8	L391 P392 N394 E398	L391-V400 WeakPolarHBondContact O-CG2 3.27Å; P392-V400 PolarHBondContact O-N 2.92Å; N394-V400 HydrophobicContact CB-CG1 3.82Å; N394-V400 HydrophobicContact CB-CG2 4.32Å; E398-V400 PolarHBondContact O-N 2.84Å
401	W	98.5	Very high	97.5	Very high	16 Å²	16	50.9 Å²	50.9	6%	0.061	25%	0.253	C	S	.	.	S	Bend	trans	-144.1	145.1	171.8	-176.4	94.4	0	0	0	111.1	M97 L98 P99 V390 L391 P392 R399 F410	M97-W401 HydrophobicContact CE-CH2 3.7Å; M97-W401 HydrophobicContact CE-CZ2 4.31Å; M97-W401 HydrophobicContact CE-CZ3 4.04Å; M97-W401 HydrophobicContact CG-CH2 3.89Å; M97-W401 HydrophobicContact CG-CZ3 4.31Å; M97-W401 HydrophobicContact SD-CH2 4.49Å; L98-W401 WeakPolarHBondContact O-CH2 3.18Å; P99-W401 HydrophobicContact CB-CH2 4.35Å; P99-W401 HydrophobicContact CB-CZ2 4.11Å; P99-W401 VanDerWaalsContact CD-CZ3 3.44Å; P99-W401 HydrophobicContact CG-CD2 3.66Å; P99-W401 HydrophobicContact CG-CE3 3.66Å; P99-W401 HydrophobicContact CG-CG 4.31Å; P99-W401 HydrophobicContact CG-CH2 4.01Å; P99-W401 HydrophobicContact CG-CZ2 4.01Å; P99-W401 HydrophobicContact CG-CZ3 3.85Å; V390-W401 HydrophobicContact CG1-CB 4.37Å; V390-W401 HydrophobicContact CG1-CD2 4.48Å; V390-W401 HydrophobicContact CG1-CG 3.9Å; L391-W401 WeakPolarHBondContact O-CB 3.39Å; P392-W401 WeakPolarHBondContact CA-O 3.32Å; P392-W401 HydrophobicContact CB-CE3 4.47Å; P392-W401 HydrophobicContact CG-CE3 4.33Å; P392-W401 PolarHBondContact O-N 3Å; P392-W401 VanDerWaalsContact O-N 3.08Å; R399-W401 VanDerWaalsContact CG-O 3.29Å; R399-W401 WeakPolarHBondContact CG-O 3.49Å; W401-F410 HydrophobicContact CH2-CB 3.83Å; W401-F410 HydrophobicContact CZ2-CB 4.04Å
402	P	98.3	Very high	97.5	Very high	4 Å²	4	50 Å²	50	3%	0.026	25%	0.248	C	C	.	.	S	Bend	cis	-69.9	154.2	-12.2	33.8	-39.6	0	0	0	111.1	L45 I73 L76 M97	L45-P402 HydrophobicContact CD1-CG 4.22Å; L45-P402 HydrophobicContact CD2-CG 4.1Å; I73-P402 HydrophobicContact CD1-CB 3.43Å; I73-P402 VanDerWaalsContact CD1-CB 3.43Å; I73-P402 HydrophobicContact CD1-CG 4.43Å; I73-P402 HydrophobicContact CG2-CB 4.43Å; L76-P402 HydrophobicContact CD1-CG 4.06Å; L76-P402 HydrophobicContact CD2-CG 3.78Å; L76-P402 HydrophobicContact CG-CG 4.47Å; M97-P402 HydrophobicContact CE-CB 3.87Å; M97-P402 HydrophobicContact CE-CG 3.49Å; M97-P402 VanDerWaalsContact CE-CG 3.49Å
403	K	95.5	Very high	97.5	Very high	126 Å²	126	49.9 Å²	49.9	55%	0.548	25%	0.247	S	C	.	.			trans	-133.1	167.6	167.6	57.8	176.1	177.8	-169.3	0	110.2	Q405 D406	K403-Q405 PolarHBondContact O-N 3.48Å; K403-D406 VanDerWaalsContact CE-OD1 3.27Å; K403-D406 WeakPolarHBondContact CE-OD1 3.01Å; K403-D406 WeakPolarHBondContact CG-OD1 3.42Å; K403-D406 WeakPolarHBondContact CG-OD2 3.32Å; K403-D406 PolarHBondContact N-OD2 2.97Å; K403-D406 WeakPolarHBondContact O-CB 3.22Å; K403-D406 PolarHBondContact O-N 3.34Å
404	A	97	Very high	97.5	Very high	62 Å²	62	53.8 Å²	53.8	51%	0.512	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	138.5	177.6	0	0	0	0	0	111	I73 D406	I73-A404 CarbonylContact O-C 3.52Å; I73-A404 WeakPolarHBondContact O-CA 3.34Å; A404-D406 VanDerWaalsContact C-N 3.28Å; A404-D406 PolarHBondContact O-N 3.22Å
405	Q	97.6	Very high	97.6	Very high	125 Å²	125	52.2 Å²	52.2	58%	0.584	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	-0	-178.5	-53.2	-61.7	-54.2	0	0	116.5	I73 K403	I73-Q405 PolarHBondContact O-N 2.94Å; K403-Q405 PolarHBondContact O-N 3.48Å
406	D	98.4	Very high	97.7	Very high	31 Å²	31	49.4 Å²	49.4	17%	0.166	26%	0.255	C	S	.	.			trans	-62.6	148.3	167.4	-71.7	-18	0	0	0	110.3	K72 I73 K403 A404 A408	K72-D406 CarbonylContact C-O 3.57Å; K72-D406 WeakPolarHBondContact CA-O 3.12Å; I73-D406 PolarHBondContact N-O 2.94Å; K403-D406 VanDerWaalsContact CE-OD1 3.27Å; K403-D406 WeakPolarHBondContact CE-OD1 3.01Å; K403-D406 WeakPolarHBondContact CG-OD1 3.42Å; K403-D406 WeakPolarHBondContact CG-OD2 3.32Å; K403-D406 PolarHBondContact N-OD2 2.97Å; K403-D406 WeakPolarHBondContact O-CB 3.22Å; K403-D406 PolarHBondContact O-N 3.34Å; A404-D406 VanDerWaalsContact C-N 3.28Å; A404-D406 PolarHBondContact O-N 3.22Å; D406-A408 PolarHBondContact O-N 2.89Å
407	D	97.9	Very high	98	Very high	73 Å²	73	42.4 Å²	42.4	39%	0.39	23%	0.226	S	C	.	.	B	Isolated β-bridge	trans	-59.7	134.3	169.4	-72.2	-42.9	0	0	0	109.9	K72 S409	K72-D407 WeakPolarHBondContact CE-OD1 3.29Å; K72-D407 IonicContact NZ-OD1 3.41Å; K72-D407 PolarHBondContact NZ-OD1 3.27Å; K72-D407 IonicContact NZ-OD2 3.97Å; D407-S409 PolarHBondContact O-N 3.32Å
408	A	98.3	Very high	98.1	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.222	C	C	.	.			trans	-77.1	49.7	173.8	0	0	0	0	0	111.2	I68 G71 I73 D406 F410 K434 G435	I68-A408 HydrophobicContact CD1-CB 4.22Å; I68-A408 HydrophobicContact CG1-CB 4.1Å; I68-A408 HydrophobicContact CG2-CB 3.71Å; G71-A408 WeakPolarHBondContact O-CB 3.41Å; G71-A408 PolarHBondContact O-N 2.91Å; I73-A408 HydrophobicContact CG1-CB 3.96Å; D406-A408 PolarHBondContact O-N 2.89Å; A408-F410 HydrophobicContact CB-CE1 4.28Å; A408-K434 PolarHBondContact O-N 3.06Å; A408-G435 PolarHBondContact O-N 3.31Å
409	S	98.3	Very high	98.2	Very high	13 Å²	13	37.1 Å²	37.1	9%	0.091	20%	0.199	C	C	.	.			trans	-106.5	103.2	173.9	-61.5	0	0	0	0	109	T100 D407 F432 K434	T100-S409 PolarHBondContact N-O 2.99Å; T100-S409 VanDerWaalsContact N-O 3.15Å; D407-S409 PolarHBondContact O-N 3.32Å; S409-F432 CarbonylContact C-O 3.57Å; S409-F432 VanDerWaalsContact CA-O 3.32Å; S409-F432 WeakPolarHBondContact CA-O 3.31Å; S409-K434 PolarHBondContact OG-N 3.49Å
410	F	98.8	Very high	98.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	172.5	-171.5	60.8	-94.7	0	0	0	110.8	L40 I68 M97 L98 W401 A408 L412 F432	L40-F410 HydrophobicContact CD2-CE2 3.81Å; L40-F410 HydrophobicContact CD2-CZ 3.68Å; I68-F410 HydrophobicContact CD1-CE1 3.66Å; I68-F410 HydrophobicContact CD1-CZ 3.91Å; M97-F410 HydrophobicContact CG-CB 3.7Å; M97-F410 HydrophobicContact CG-CD2 3.52Å; M97-F410 HydrophobicContact CG-CE2 4.29Å; M97-F410 HydrophobicContact CG-CG 3.69Å; M97-F410 HydrophobicContact SD-CB 4.1Å; M97-F410 HydrophobicContact SD-CD1 3.95Å; M97-F410 HydrophobicContact SD-CD2 3.61Å; M97-F410 HydrophobicContact SD-CE1 4.27Å; M97-F410 HydrophobicContact SD-CE2 3.93Å; M97-F410 HydrophobicContact SD-CG 3.61Å; M97-F410 HydrophobicContact SD-CZ 4.26Å; L98-F410 CarbonylContact O-C 3.55Å; L98-F410 VanDerWaalsContact O-CA 3.27Å; L98-F410 WeakPolarHBondContact O-CA 3.31Å; L98-F410 VanDerWaalsContact O-CB 3.25Å; L98-F410 WeakPolarHBondContact O-CB 3.44Å; W401-F410 HydrophobicContact CH2-CB 3.83Å; W401-F410 HydrophobicContact CZ2-CB 4.04Å; A408-F410 HydrophobicContact CB-CE1 4.28Å; F410-L412 HydrophobicContact CD2-CD2 4.11Å; F410-L412 HydrophobicContact CD2-CG 4.47Å; F410-L412 HydrophobicContact CE2-CD2 3.97Å; F410-L412 HydrophobicContact CE2-CG 4.22Å; F410-F432 HydrophobicContact CD1-CB 4.04Å; F410-F432 HydrophobicContact CD2-CB 4.15Å; F410-F432 AromaticContact CD2-CD2 3.86Å; F410-F432 HydrophobicContact CD2-CD2 3.86Å; F410-F432 HydrophobicContact CD2-CG 4.23Å; F410-F432 HydrophobicContact CE1-CB 3.76Å; F410-F432 HydrophobicContact CE1-CD1 4.33Å; F410-F432 HydrophobicContact CE1-CD2 4.43Å; F410-F432 AromaticContact CE1-CG 3.95Å; F410-F432 HydrophobicContact CE1-CG 3.95Å; F410-F432 HydrophobicContact CE2-CB 3.91Å; F410-F432 HydrophobicContact CE2-CD1 4.3Å; F410-F432 AromaticContact CE2-CD2 3.17Å; F410-F432 HydrophobicContact CE2-CD2 3.17Å; F410-F432 AromaticContact CE2-CE2 3.65Å; F410-F432 HydrophobicContact CE2-CE2 3.65Å; F410-F432 AromaticContact CE2-CG 3.55Å; F410-F432 HydrophobicContact CE2-CG 3.55Å; F410-F432 HydrophobicContact CE2-CZ 4.38Å; F410-F432 HydrophobicContact CG-CB 4.21Å; F410-F432 HydrophobicContact CZ-CB 3.7Å; F410-F432 AromaticContact CZ-CD1 3.75Å; F410-F432 HydrophobicContact CZ-CD1 3.75Å; F410-F432 AromaticContact CZ-CD2 3.51Å; F410-F432 HydrophobicContact CZ-CD2 3.51Å; F410-F432 HydrophobicContact CZ-CE1 4.2Å; F410-F432 AromaticContact CZ-CE2 3.99Å; F410-F432 HydrophobicContact CZ-CE2 3.99Å; F410-F432 AromaticContact CZ-CG 3.37Å; F410-F432 HydrophobicContact CZ-CG 3.37Å; F410-F432 HydrophobicContact CZ-CZ 4.31Å; F410-F432 PolarHBondContact N-O 3.11Å; F410-F432 VanDerWaalsContact N-O 3.07Å; F410-F432 PolarHBondContact O-N 2.91Å
411	V	98.7	Very high	98.3	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.024	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	138.2	177.1	68.4	0	0	0	0	110.3	M97 L98 V413 R428 A430	M97-V411 WeakPolarHBondContact CA-O 3.29Å; L98-V411 HydrophobicContact CB-CG1 4.07Å; L98-V411 PolarHBondContact N-O 3.27Å; L98-V411 PolarHBondContact O-N 3.09Å; V411-V413 HydrophobicContact CG1-CG2 3.9Å; V411-R428 HydrophobicContact CB-CG 4.49Å; V411-R428 HydrophobicContact CG2-CB 3.94Å; V411-R428 HydrophobicContact CG2-CG 3.22Å; V411-A430 WeakPolarHBondContact CG2-O 3.34Å
412	L	98.8	Very high	98.3	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	122	173.7	-61.1	-173.3	0	0	0	109.4	A92 K95 L96 M97 F410 R428 T429 A430 F432 V442	A92-L412 HydrophobicContact CB-CD1 3.71Å; A92-L412 HydrophobicContact CB-CD2 4.25Å; K95-L412 HydrophobicContact CB-CB 3.91Å; L96-L412 CarbonylContact O-C 3.45Å; L96-L412 WeakPolarHBondContact O-CA 3.38Å; M97-L412 HydrophobicContact CB-CD2 3.95Å; M97-L412 HydrophobicContact CG-CD2 4.28Å; F410-L412 HydrophobicContact CD2-CD2 4.11Å; F410-L412 HydrophobicContact CD2-CG 4.47Å; F410-L412 HydrophobicContact CE2-CD2 3.97Å; F410-L412 HydrophobicContact CE2-CG 4.22Å; L412-R428 WeakPolarHBondContact O-CA 3.31Å; L412-T429 PolarHBondContact O-N 2.89Å; L412-T429 PolarHBondContact O-OG1 3.28Å; L412-A430 HydrophobicContact CB-CB 4.23Å; L412-A430 HydrophobicContact CD1-CB 4.05Å; L412-A430 HydrophobicContact CG-CB 4.29Å; L412-A430 PolarHBondContact N-O 3.34Å; L412-F432 HydrophobicContact CD1-CE2 4.15Å; L412-F432 HydrophobicContact CG-CE2 4.36Å; L412-V442 HydrophobicContact CD1-CG1 3.69Å
413	V	98.7	Very high	98.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	139	-171.6	-170	0	0	0	0	109.9	L96 L98 V411 A415 A421 S426 R428	L96-V413 HydrophobicContact CB-CB 4.49Å; L96-V413 PolarHBondContact N-O 3.44Å; L96-V413 PolarHBondContact O-N 2.87Å; L98-V413 HydrophobicContact CB-CG2 4.49Å; L98-V413 HydrophobicContact CD1-CG2 4.02Å; L98-V413 HydrophobicContact CG-CG2 4.27Å; V411-V413 HydrophobicContact CG1-CG2 3.9Å; V413-A415 HydrophobicContact CG1-CB 4.05Å; V413-A415 PolarHBondContact O-N 2.77Å; V413-A421 HydrophobicContact CG1-CB 4.04Å; V413-S426 VanDerWaalsContact CG1-CB 3.49Å; V413-R428 HydrophobicContact CG2-CG 4.1Å
414	D	98.2	Very high	98.4	Very high	82 Å²	82	36.4 Å²	36.4	44%	0.439	20%	0.197	S	C	.	.	S	Bend	trans	-81	75.1	172	-155.1	34.1	0	0	0	110.3	K95 S426 P427	K95-D414 HydrophobicContact CD-CB 4.06Å; K95-D414 WeakPolarHBondContact CE-OD1 3.41Å; K95-D414 IonicContact NZ-OD1 2.86Å; K95-D414 PolarHBondContact NZ-OD1 2.81Å; D414-S426 VanDerWaalsContact O-CB 3.31Å; D414-S426 WeakPolarHBondContact O-CB 3.41Å; D414-S426 PolarHBondContact O-OG 2.56Å; D414-P427 HydrophobicContact CB-CG 3.88Å; D414-P427 PolarHBondContact N-O 2.78Å
415	A	98.6	Very high	98.5	Very high	12 Å²	12	36.1 Å²	36.1	10%	0.099	19%	0.186	C	C	.	.	S	Bend	trans	-149.5	159.7	178.5	0	0	0	0	0	109.6	L96 V413 E420 A421	L96-A415 VanDerWaalsContact CB-O 3.29Å; L96-A415 WeakPolarHBondContact CB-O 3.09Å; L96-A415 HydrophobicContact CD2-CB 4.03Å; V413-A415 HydrophobicContact CG1-CB 4.05Å; V413-A415 PolarHBondContact O-N 2.77Å; A415-E420 HydrophobicContact CB-CB 4.34Å; A415-E420 HydrophobicContact CB-CG 4.25Å; A415-A421 HydrophobicContact CB-CB 3.91Å
416	S	98.5	Very high	98.5	Very high	63 Å²	63	30.4 Å²	30.4	44%	0.441	16%	0.16	S	C	.	.	S	Bend	trans	-86.4	-25.8	173.2	65.2	0	0	0	0	113.1	T61 E420	T61-S416 WeakPolarHBondContact CG2-O 3.45Å; S416-E420 VanDerWaalsContact CB-OE2 3.27Å; S416-E420 WeakPolarHBondContact CB-OE2 3.26Å; S416-E420 PolarHBondContact N-OE2 3.03Å; S416-E420 PolarHBondContact OG-OE2 2.86Å
417	C	98.8	Very high	98.5	Very high	6 Å²	6	32.7 Å²	32.7	4%	0.041	18%	0.177	C	C	.	.	S	Bend	trans	-157.4	170.7	176.8	65.7	0	0	0	0	111.7	T59 T61 L96 E376 A419 E420 A421	T59-C417 HydrophobicContact CG2-CB 3.87Å; T61-C417 HydrophobicContact CG2-CB 4.5Å; L96-C417 WeakPolarHBondContact CD2-O 3.47Å; E376-C417 PolarHBondContact OE1-SG 2.95Å; E376-C417 VanDerWaalsContact OE1-SG 3.36Å; C417-A419 VanDerWaalsContact C-N 3.32Å; C417-A419 PolarHBondContact O-N 3.02Å; C417-E420 PolarHBondContact O-N 3.11Å; C417-E420 PolarHBondContact SG-N 2.89Å; C417-A421 PolarHBondContact O-N 2.8Å
418	S	98.7	Very high	98.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-65.3	-33	178.1	56.2	0	0	0	0	112.8	E46 S380 A421 V422	E46-S418 WeakPolarHBondContact OE1-CA 3.26Å; E46-S418 WeakPolarHBondContact OE1-CB 3.41Å; E46-S418 PolarHBondContact OE1-N 2.78Å; E46-S418 PolarHBondContact OE1-OG 3.28Å; E46-S418 PolarHBondContact OE2-OG 3.28Å; S380-S418 VanDerWaalsContact CB-OG 3.24Å; S380-S418 WeakPolarHBondContact CB-OG 3.01Å; S418-A421 PolarHBondContact O-N 2.86Å; S418-V422 WeakPolarHBondContact O-CG2 3.33Å; S418-V422 PolarHBondContact O-N 2.58Å
419	A	98.6	Very high	98.4	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.008	18%	0.175	C	C	.	.	H	α-helix	trans	-60.3	-46.5	174.4	0	0	0	0	0	111.1	E376 L379 C417 A423	E376-A419 HydrophobicContact CG-CB 4.41Å; E376-A419 WeakPolarHBondContact O-CB 3.4Å; E376-A419 WeakPolarHBondContact OE2-CB 3.3Å; L379-A419 HydrophobicContact CB-CB 3.81Å; C417-A419 VanDerWaalsContact C-N 3.32Å; C417-A419 PolarHBondContact O-N 3.02Å; A419-A423 VanDerWaalsContact O-CB 3.22Å; A419-A423 WeakPolarHBondContact O-CB 3.38Å; A419-A423 PolarHBondContact O-N 2.86Å
420	E	98.7	Very high	98.4	Very high	71 Å²	71	31.6 Å²	31.6	33%	0.332	17%	0.17	S	C	.	.	H	α-helix	trans	-63.8	-46.4	172.8	-178.7	-178.6	-171.1	0	0	111.3	A415 S416 C417 V422 A423 R424	A415-E420 HydrophobicContact CB-CB 4.34Å; A415-E420 HydrophobicContact CB-CG 4.25Å; S416-E420 VanDerWaalsContact CB-OE2 3.27Å; S416-E420 WeakPolarHBondContact CB-OE2 3.26Å; S416-E420 PolarHBondContact N-OE2 3.03Å; S416-E420 PolarHBondContact OG-OE2 2.86Å; C417-E420 PolarHBondContact O-N 3.11Å; C417-E420 PolarHBondContact SG-N 2.89Å; E420-V422 VanDerWaalsContact C-N 3.27Å; E420-V422 PolarHBondContact O-N 2.72Å; E420-A423 PolarHBondContact O-N 3.34Å; E420-R424 HydrophobicContact CG-CG 3.95Å; E420-R424 VanDerWaalsContact O-CB 3.32Å; E420-R424 WeakPolarHBondContact O-CB 3.3Å; E420-R424 PolarHBondContact O-N 3.23Å
421	A	98.8	Very high	98.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-55.2	-43.8	-179.5	0	0	0	0	0	112.2	L96 L98 L361 V413 A415 C417 S418 I425 S426	L96-A421 HydrophobicContact CD2-CB 4.43Å; L98-A421 HydrophobicContact CD1-CB 3.82Å; L361-A421 HydrophobicContact CD1-CB 4.48Å; V413-A421 HydrophobicContact CG1-CB 4.04Å; A415-A421 HydrophobicContact CB-CB 3.91Å; C417-A421 PolarHBondContact O-N 2.8Å; S418-A421 PolarHBondContact O-N 2.86Å; A421-I425 VanDerWaalsContact O-CA 3.28Å; A421-I425 WeakPolarHBondContact O-CA 3.43Å; A421-I425 PolarHBondContact O-N 2.85Å; A421-I425 VanDerWaalsContact O-N 3.09Å; A421-S426 PolarHBondContact O-N 3.14Å
422	V	98.6	Very high	98.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-69.8	-53.3	174.7	172.8	0	0	0	0	110.6	L361 A364 N365 A368 L383 S418 E420 R424 I425	L361-V422 HydrophobicContact CD2-CG2 4.39Å; A364-V422 HydrophobicContact CB-CG1 4.18Å; A364-V422 HydrophobicContact CB-CG2 4.21Å; N365-V422 WeakPolarHBondContact CB-O 3.38Å; N365-V422 PolarHBondContact ND2-O 3.03Å; A368-V422 HydrophobicContact CB-CG1 4.22Å; L383-V422 HydrophobicContact CB-CG2 4.07Å; L383-V422 HydrophobicContact CD1-CG2 4.25Å; S418-V422 WeakPolarHBondContact O-CG2 3.33Å; S418-V422 PolarHBondContact O-N 2.58Å; E420-V422 VanDerWaalsContact C-N 3.27Å; E420-V422 PolarHBondContact O-N 2.72Å; V422-R424 PolarHBondContact O-N 3.37Å; V422-I425 PolarHBondContact O-N 3.23Å
423	A	98.4	Very high	98.3	Very high	39 Å²	39	31.5 Å²	31.5	32%	0.322	17%	0.17	S	C	.	.	H	α-helix	trans	-61.2	-32.4	-174.2	0	0	0	0	0	113.6	N365 L379 A419 E420	N365-A423 PolarHBondContact ND2-O 3.34Å; N365-A423 VanDerWaalsContact ND2-O 3.11Å; L379-A423 HydrophobicContact CD1-CB 4.2Å; L379-A423 HydrophobicContact CD2-CB 4.19Å; A419-A423 VanDerWaalsContact O-CB 3.22Å; A419-A423 WeakPolarHBondContact O-CB 3.38Å; A419-A423 PolarHBondContact O-N 2.86Å; E420-A423 PolarHBondContact O-N 3.34Å
424	R	98.1	Very high	98.2	Very high	181 Å²	181	35.4 Å²	35.4	68%	0.683	19%	0.186	S	C	*	.	H	α-helix	trans	-104.2	-4.1	-176	-59.2	-59.1	-59.6	144.5	3.3	113.8	E420 V422 S426	E420-R424 HydrophobicContact CG-CG 3.95Å; E420-R424 VanDerWaalsContact O-CB 3.32Å; E420-R424 WeakPolarHBondContact O-CB 3.3Å; E420-R424 PolarHBondContact O-N 3.23Å; V422-R424 PolarHBondContact O-N 3.37Å; R424-S426 PolarHBondContact O-N 3.48Å
425	I	98.2	Very high	98.1	Very high	56 Å²	56	31.7 Å²	31.7	29%	0.287	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	50.3	-169.9	-47.6	172.7	0	0	0	108.6	L361 E362 N365 A421 V422	L361-I425 HydrophobicContact CB-CG2 4.12Å; E362-I425 HydrophobicContact CB-CD1 4.4Å; E362-I425 HydrophobicContact CG-CD1 4.44Å; N365-I425 HydrophobicContact CB-CD1 4.03Å; N365-I425 HydrophobicContact CB-CG1 3.68Å; A421-I425 VanDerWaalsContact O-CA 3.28Å; A421-I425 WeakPolarHBondContact O-CA 3.43Å; A421-I425 PolarHBondContact O-N 2.85Å; A421-I425 VanDerWaalsContact O-N 3.09Å; V422-I425 PolarHBondContact O-N 3.23Å
426	S	98.6	Very high	98	Very high	5 Å²	5	34.8 Å²	34.8	4%	0.035	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-57.4	141.5	-166.7	-72.2	0	0	0	0	111.9	V413 D414 A421 R424 R428	V413-S426 VanDerWaalsContact CG1-CB 3.49Å; D414-S426 VanDerWaalsContact O-CB 3.31Å; D414-S426 WeakPolarHBondContact O-CB 3.41Å; D414-S426 PolarHBondContact O-OG 2.56Å; A421-S426 PolarHBondContact O-N 3.14Å; R424-S426 PolarHBondContact O-N 3.48Å; S426-R428 WeakPolarHBondContact O-CD 3.15Å; S426-R428 PolarHBondContact O-NH1 2.87Å
427	P	97.6	Very high	98	Very high	79 Å²	79	32.3 Å²	32.3	51%	0.513	16%	0.162	S	C	.	.	P	Polyproline II helix	trans	-66.7	149.6	-174.2	27.9	-33.3	0	0	0	111.3	D414	D414-P427 HydrophobicContact CB-CG 3.88Å; D414-P427 PolarHBondContact N-O 2.78Å
428	R	97.5	Very high	97.9	Very high	19 Å²	19	33.4 Å²	33.4	7%	0.072	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	135.5	177.3	-84.7	68.1	78.8	-153	-2.2	109.6	K160 D359 V411 L412 V413 S426 W439	K160-R428 PolarHBondContact O-NE 2.7Å; K160-R428 PolarHBondContact O-NH2 2.78Å; D359-R428 IonicContact OD1-CZ 2.55Å; D359-R428 IonicContact OD1-NH1 3.98Å; D359-R428 IonicContact OD1-NH2 3.05Å; D359-R428 PolarHBondContact OD1-NH2 2.76Å; D359-R428 IonicContact OD2-CZ 2.72Å; D359-R428 IonicContact OD2-NH1 3.83Å; D359-R428 PolarHBondContact OD2-NH1 2.93Å; D359-R428 IonicContact OD2-NH2 3Å; D359-R428 PolarHBondContact OD2-NH2 2.91Å; V411-R428 HydrophobicContact CB-CG 4.49Å; V411-R428 HydrophobicContact CG2-CB 3.94Å; V411-R428 HydrophobicContact CG2-CG 3.22Å; L412-R428 WeakPolarHBondContact O-CA 3.31Å; V413-R428 HydrophobicContact CG2-CG 4.1Å; S426-R428 WeakPolarHBondContact O-CD 3.15Å; S426-R428 PolarHBondContact O-NH1 2.87Å; R428-W439 WeakPolarHBondContact O-CZ3 3.41Å
429	T	96.9	Very high	97.8	Very high	45 Å²	45	36.5 Å²	36.5	28%	0.276	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	-28.4	-178.2	57.9	0	0	0	0	112.7	K95 L412 G440 S441	K95-T429 HydrophobicContact CD-CG2 3.87Å; K95-T429 HydrophobicContact CG-CG2 4.48Å; L412-T429 PolarHBondContact O-N 2.89Å; L412-T429 PolarHBondContact O-OG1 3.28Å; T429-G440 WeakPolarHBondContact O-CA 3.24Å; T429-S441 PolarHBondContact O-N 3.1Å
430	A	98	Very high	97.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	147.3	175.9	0	0	0	0	0	111	V411 L412 F432 L437 W439 V442	V411-A430 WeakPolarHBondContact CG2-O 3.34Å; L412-A430 HydrophobicContact CB-CB 4.23Å; L412-A430 HydrophobicContact CD1-CB 4.05Å; L412-A430 HydrophobicContact CG-CB 4.29Å; L412-A430 PolarHBondContact N-O 3.34Å; A430-F432 HydrophobicContact CB-CD2 4.41Å; A430-F432 HydrophobicContact CB-CE2 3.82Å; A430-L437 HydrophobicContact CB-CD1 3.78Å; A430-W439 CarbonylContact C-O 3.6Å; A430-W439 VanDerWaalsContact CA-O 3.27Å; A430-W439 WeakPolarHBondContact CA-O 3.43Å; A430-V442 HydrophobicContact CB-CG1 4.16Å
431	T	98.4	Very high	97.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	130.4	176.9	-56.6	0	0	0	0	109	Q158 G161 T163 V438 W439	Q158-T431 VanDerWaalsContact O-CB 3.31Å; Q158-T431 WeakPolarHBondContact O-CB 3.49Å; Q158-T431 PolarHBondContact O-OG1 3.27Å; G161-T431 WeakPolarHBondContact CA-OG1 3.48Å; T163-T431 HydrophobicContact CG2-CG2 3.45Å; T163-T431 VanDerWaalsContact CG2-CG2 3.45Å; T431-V438 HydrophobicContact CG2-CG2 3.81Å; T431-V438 VanDerWaalsContact O-CG2 3.23Å; T431-V438 WeakPolarHBondContact O-CG2 3.36Å; T431-V438 PolarHBondContact O-N 3.17Å; T431-W439 PolarHBondContact N-O 2.76Å; T431-W439 PolarHBondContact O-N 2.83Å
432	F	98.2	Very high	97.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	140.3	180	-70.5	-105.4	0	0	0	110.6	I33 S409 F410 L412 A430 Q436 L437 V442	I33-F432 HydrophobicContact CD1-CE1 4.02Å; I33-F432 HydrophobicContact CD1-CZ 4.13Å; S409-F432 CarbonylContact C-O 3.57Å; S409-F432 VanDerWaalsContact CA-O 3.32Å; S409-F432 WeakPolarHBondContact CA-O 3.31Å; F410-F432 HydrophobicContact CD1-CB 4.04Å; F410-F432 HydrophobicContact CD2-CB 4.15Å; F410-F432 AromaticContact CD2-CD2 3.86Å; F410-F432 HydrophobicContact CD2-CD2 3.86Å; F410-F432 HydrophobicContact CD2-CG 4.23Å; F410-F432 HydrophobicContact CE1-CB 3.76Å; F410-F432 HydrophobicContact CE1-CD1 4.33Å; F410-F432 HydrophobicContact CE1-CD2 4.43Å; F410-F432 AromaticContact CE1-CG 3.95Å; F410-F432 HydrophobicContact CE1-CG 3.95Å; F410-F432 HydrophobicContact CE2-CB 3.91Å; F410-F432 HydrophobicContact CE2-CD1 4.3Å; F410-F432 AromaticContact CE2-CD2 3.17Å; F410-F432 HydrophobicContact CE2-CD2 3.17Å; F410-F432 AromaticContact CE2-CE2 3.65Å; F410-F432 HydrophobicContact CE2-CE2 3.65Å; F410-F432 AromaticContact CE2-CG 3.55Å; F410-F432 HydrophobicContact CE2-CG 3.55Å; F410-F432 HydrophobicContact CE2-CZ 4.38Å; F410-F432 HydrophobicContact CG-CB 4.21Å; F410-F432 HydrophobicContact CZ-CB 3.7Å; F410-F432 AromaticContact CZ-CD1 3.75Å; F410-F432 HydrophobicContact CZ-CD1 3.75Å; F410-F432 AromaticContact CZ-CD2 3.51Å; F410-F432 HydrophobicContact CZ-CD2 3.51Å; F410-F432 HydrophobicContact CZ-CE1 4.2Å; F410-F432 AromaticContact CZ-CE2 3.99Å; F410-F432 HydrophobicContact CZ-CE2 3.99Å; F410-F432 AromaticContact CZ-CG 3.37Å; F410-F432 HydrophobicContact CZ-CG 3.37Å; F410-F432 HydrophobicContact CZ-CZ 4.31Å; F410-F432 PolarHBondContact N-O 3.11Å; F410-F432 VanDerWaalsContact N-O 3.07Å; F410-F432 PolarHBondContact O-N 2.91Å; L412-F432 HydrophobicContact CD1-CE2 4.15Å; L412-F432 HydrophobicContact CG-CE2 4.36Å; A430-F432 HydrophobicContact CB-CD2 4.41Å; A430-F432 HydrophobicContact CB-CE2 3.82Å; F432-Q436 CarbonylContact C-O 3.54Å; F432-Q436 WeakPolarHBondContact CA-O 3.19Å; F432-L437 HydrophobicContact CD1-CB 4.19Å; F432-L437 HydrophobicContact CD2-CD1 4.16Å; F432-L437 HydrophobicContact CE1-CB 3.84Å; F432-L437 HydrophobicContact CE1-CD1 4.26Å; F432-L437 HydrophobicContact CE2-CD1 3.76Å; F432-L437 HydrophobicContact CZ-CB 4.18Å; F432-L437 HydrophobicContact CZ-CD1 3.81Å; F432-L437 HydrophobicContact CZ-CG 4.45Å; F432-V442 HydrophobicContact CE2-CG1 4.18Å; F432-V442 HydrophobicContact CZ-CG1 4.01Å
433	H	97.8	Very high	96.9	Very high	3 Å²	3	41 Å²	41	1%	0.014	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	117.6	171.1	-173.9	78.4	0	0	0	108.8	T163 A192 E195 G435 Q436 V438	T163-H433 WeakPolarHBondContact CB-ND1 3.45Å; T163-H433 HydrophobicContact CG2-CB 3.94Å; T163-H433 PolarHBondContact OG1-ND1 2.93Å; T163-H433 VanDerWaalsContact OG1-ND1 3.12Å; A192-H433 PolarHBondContact O-CD2 3.02Å; E195-H433 IonicContact OE1-CE1 3.55Å; E195-H433 IonicContact OE1-NE2 2.73Å; H433-G435 VanDerWaalsContact C-N 3.26Å; H433-G435 PolarHBondContact O-N 3.17Å; H433-Q436 PolarHBondContact N-O 3.06Å; H433-Q436 WeakPolarHBondContact O-CB 3.05Å; H433-Q436 PolarHBondContact O-N 3.24Å; H433-V438 HydrophobicContact CB-CG1 3.78Å; H433-V438 HydrophobicContact CB-CG2 4.46Å
434	K	97.1	Very high	95.7	Very high	81 Å²	81	44 Å²	44	35%	0.352	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	44	52.4	-178.2	-62.6	-179.1	-176.4	169.7	0	112.3	G71 E195 A408 S409 Q436	G71-K434 WeakPolarHBondContact CA-O 3.27Å; E195-K434 WeakPolarHBondContact OE1-CE 3.4Å; E195-K434 IonicContact OE1-NZ 3.47Å; E195-K434 PolarHBondContact OE1-NZ 3.37Å; A408-K434 PolarHBondContact O-N 3.06Å; S409-K434 PolarHBondContact OG-N 3.49Å; K434-Q436 PolarHBondContact O-N 3Å
435	G	97.2	Very high	95.6	Very high	4 Å²	4	37.2 Å²	37.2	4%	0.041	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	78	-5.3	176.8	0	0	0	0	0	115.1	Y38 A408 H433	Y38-G435 WeakPolarHBondContact CE1-O 3.08Å; Y38-G435 PolarHBondContact OH-O 2.84Å; A408-G435 PolarHBondContact O-N 3.31Å; H433-G435 VanDerWaalsContact C-N 3.26Å; H433-G435 PolarHBondContact O-N 3.17Å
436	Q	96.6	Very high	95.5	Very high	77 Å²	77	36.2 Å²	36.2	36%	0.36	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	134.2	177.3	-58.3	-176.2	20.6	0	0	110.9	I33 F432 H433 K434 V438	I33-Q436 WeakPolarHBondContact O-CA 3.15Å; F432-Q436 CarbonylContact C-O 3.54Å; F432-Q436 WeakPolarHBondContact CA-O 3.19Å; H433-Q436 PolarHBondContact N-O 3.06Å; H433-Q436 WeakPolarHBondContact O-CB 3.05Å; H433-Q436 PolarHBondContact O-N 3.24Å; K434-Q436 PolarHBondContact O-N 3Å; Q436-V438 PolarHBondContact O-N 3.1Å
437	L	97.3	Very high	95.3	Very high	12 Å²	12	37.9 Å²	37.9	6%	0.063	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	112	171.2	178.3	59.7	0	0	0	109.3	M31 I33 A430 F432 W439	M31-L437 HydrophobicContact CB-CD2 3.81Å; M31-L437 HydrophobicContact CG-CD2 4.02Å; M31-L437 WeakPolarHBondContact O-CD2 3.36Å; M31-L437 HydrophobicContact SD-CD2 4.24Å; I33-L437 HydrophobicContact CB-CB 3.9Å; I33-L437 HydrophobicContact CD1-CB 4.4Å; I33-L437 HydrophobicContact CD1-CD2 4.19Å; I33-L437 HydrophobicContact CG1-CB 4.21Å; I33-L437 HydrophobicContact CG1-CD2 4.24Å; I33-L437 PolarHBondContact O-N 3.12Å; A430-L437 HydrophobicContact CB-CD1 3.78Å; F432-L437 HydrophobicContact CD1-CB 4.19Å; F432-L437 HydrophobicContact CD2-CD1 4.16Å; F432-L437 HydrophobicContact CE1-CB 3.84Å; F432-L437 HydrophobicContact CE1-CD1 4.26Å; F432-L437 HydrophobicContact CE2-CD1 3.76Å; F432-L437 HydrophobicContact CZ-CB 4.18Å; F432-L437 HydrophobicContact CZ-CD1 3.81Å; F432-L437 HydrophobicContact CZ-CG 4.45Å; L437-W439 WeakPolarHBondContact CD1-O 3.35Å
438	V	96.6	Very high	95.2	Very high	28 Å²	28	35.5 Å²	35.5	17%	0.17	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	-21.5	-176.3	-61.2	0	0	0	0	113.5	Q158 T163 T431 H433 Q436	Q158-V438 HydrophobicContact CB-CG2 4.4Å; Q158-V438 HydrophobicContact CG-CG2 4.17Å; T163-V438 HydrophobicContact CG2-CG2 4.02Å; T431-V438 HydrophobicContact CG2-CG2 3.81Å; T431-V438 VanDerWaalsContact O-CG2 3.23Å; T431-V438 WeakPolarHBondContact O-CG2 3.36Å; T431-V438 PolarHBondContact O-N 3.17Å; H433-V438 HydrophobicContact CB-CG1 3.78Å; H433-V438 HydrophobicContact CB-CG2 4.46Å; Q436-V438 PolarHBondContact O-N 3.1Å
439	W	97.1	Very high	95	Very high	66 Å²	66	36.5 Å²	36.5	25%	0.25	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	147.8	173.3	-174.6	97.1	0	0	0	111.1	Q158 S159 R428 A430 T431 L437	Q158-W439 HydrophobicContact CB-CB 3.92Å; S159-W439 VanDerWaalsContact CA-CD2 3.4Å; S159-W439 VanDerWaalsContact CA-CE2 3.49Å; S159-W439 VanDerWaalsContact CB-NE1 3.28Å; R428-W439 WeakPolarHBondContact O-CZ3 3.41Å; A430-W439 CarbonylContact C-O 3.6Å; A430-W439 VanDerWaalsContact CA-O 3.27Å; A430-W439 WeakPolarHBondContact CA-O 3.43Å; T431-W439 PolarHBondContact N-O 2.76Å; T431-W439 PolarHBondContact O-N 2.83Å; L437-W439 WeakPolarHBondContact CD1-O 3.35Å
440	G	96.6	Very high	94.9	Very high	15 Å²	15	35.9 Å²	35.9	16%	0.155	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	88.4	-152.7	173.9	0	0	0	0	0	113	T429	T429-G440 WeakPolarHBondContact O-CA 3.24Å
441	S	95.3	Very high	94.7	Very high	75 Å²	75	38.5 Å²	38.5	52%	0.524	26%	0.255	S	S	.	.			trans	-152.1	154.6	-179.3	59.2	0	0	0	0	112.4	T429	T429-S441 PolarHBondContact O-N 3.1Å
442	V	95.2	Very high	94.4	Very high	17 Å²	17	41.5 Å²	41.5	10%	0.103	28%	0.275	C	S	.	.			trans	-124.3	165.7	164.9	-65.3	0	0	0	0	107.7	M31 I33 L40 Y90 D91 L412 A430 F432	M31-V442 HydrophobicContact CE-CG2 4Å; M31-V442 HydrophobicContact SD-CG2 3.67Å; I33-V442 HydrophobicContact CD1-CG2 3.33Å; L40-V442 HydrophobicContact CD1-CG1 4.42Å; Y90-V442 HydrophobicContact CG-CG2 4.33Å; D91-V442 WeakPolarHBondContact O-CB 3.44Å; L412-V442 HydrophobicContact CD1-CG1 3.69Å; A430-V442 HydrophobicContact CB-CG1 4.16Å; F432-V442 HydrophobicContact CE2-CG1 4.18Å; F432-V442 HydrophobicContact CZ-CG1 4.01Å
443	A	88.3	Confident	94.1	Very high	58 Å²	58	44.9 Å²	44.9	48%	0.479	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-79.9	148.5	170.2	0	0	0	0	0	109.5	Y90 D91	Y90-A443 CarbonylContact C-O 3.54Å; Y90-A443 WeakPolarHBondContact CA-O 3.4Å; Y90-A443 WeakPolarHBondContact CB-O 3.41Å; D91-A443 HydrophobicContact CB-CB 4.1Å; D91-A443 PolarHBondContact N-O 3.02Å; D91-A443 PolarHBondContact O-N 3.28Å; D91-A443 VanDerWaalsContact O-N 3.11Å
444	G	74	Confident	93.7	Very high	103 Å²	103	48.7 Å²	48.7	100%	1.062	32%	0.324	S	S	*	.			trans	-118.6	0	176.2	0	0	0	0	0	112.5

Retrieved 444 of 444 residues in 417.8 ms (Link to these results)

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