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Mitochondrial processing peptidase subunit

Substrate recognition and binding subunit of the essential mitochondrial processing protease (MPP), which cleaves the mitochondrial sequence off newly imported precursors proteins.

AlphaFold DB , UniProt , Accession A0A077ZAA1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 476 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	56.8	Low	76.8	Confident	193 Å²	193	104.5 Å²	104.5	95%	0.951	57%	0.566	S	S	*	*				0	129.1	0	-150.6	178.6	-79.4	0	0	107	Q3 L6	M1-Q3 PolarHBondContact O-N 3.14Å; M1-L6 HydrophobicContact SD-CD2 4.24Å
2	C	63.3	Low	77.2	Confident	86 Å²	86	102.2 Å²	102.2	58%	0.581	56%	0.562	S	S	*	*			trans	-57	133.1	-175.6	-177.5	0	0	0	0	110.5	Y4 V5	C2-Y4 PolarHBondContact O-N 3.26Å; C2-Y4 VanDerWaalsContact O-N 3.1Å; C2-V5 HydrophobicContact CB-CG2 4.13Å; C2-V5 WeakPolarHBondContact O-CB 3.42Å; C2-V5 PolarHBondContact O-N 3.14Å
3	Q	74.2	Confident	77.5	Confident	176 Å²	176	102.7 Å²	102.7	82%	0.822	55%	0.551	S	S	*	*	H	α-helix	trans	-54.8	-31.4	-179.2	-78.2	-177.7	-23.4	0	0	112.3	M1 V5 L6 S7	M1-Q3 PolarHBondContact O-N 3.14Å; Q3-V5 PolarHBondContact O-N 3.26Å; Q3-L6 PolarHBondContact O-N 3.13Å; Q3-S7 PolarHBondContact O-N 3.2Å
4	Y	80.1	Confident	77.9	Confident	158 Å²	158	98.2 Å²	98.2	62%	0.62	53%	0.526	S	S	*	.	H	α-helix	trans	-59.6	-41.8	174.5	-175.4	-102.1	0	0	0	113	C2 L6 S7 L8	C2-Y4 PolarHBondContact O-N 3.26Å; C2-Y4 VanDerWaalsContact O-N 3.1Å; Y4-L6 PolarHBondContact O-N 2.97Å; Y4-S7 PolarHBondContact O-N 2.9Å; Y4-S7 PolarHBondContact O-OG 3Å; Y4-L8 HydrophobicContact CD1-CD1 4.5Å; Y4-L8 HydrophobicContact CE1-CD1 4.27Å; Y4-L8 HydrophobicContact CE1-CD2 4.07Å; Y4-L8 HydrophobicContact CE1-CG 4.36Å; Y4-L8 PolarHBondContact O-N 3.05Å
5	V	76	Confident	78.3	Confident	52 Å²	52	96.9 Å²	96.9	32%	0.315	53%	0.525	S	S	.	.	H	α-helix	trans	-63.8	-32.2	-179.3	177.8	0	0	0	0	111.5	C2 Q3 S7 L8 R13	C2-V5 HydrophobicContact CB-CG2 4.13Å; C2-V5 WeakPolarHBondContact O-CB 3.42Å; C2-V5 PolarHBondContact O-N 3.14Å; Q3-V5 PolarHBondContact O-N 3.26Å; V5-S7 VanDerWaalsContact C-N 3.32Å; V5-L8 PolarHBondContact O-N 2.91Å; V5-R13 HydrophobicContact CG1-CG 4.37Å; V5-R13 WeakPolarHBondContact O-CD 3.33Å
6	L	78.8	Confident	78.6	Confident	100 Å²	100	104.9 Å²	104.9	52%	0.524	55%	0.554	S	S	.	*	H	α-helix	trans	-73.4	-24.4	176.9	-64.3	175.3	0	0	0	112.9	M1 Q3 Y4 L8	M1-L6 HydrophobicContact SD-CD2 4.24Å; Q3-L6 PolarHBondContact O-N 3.13Å; Y4-L6 PolarHBondContact O-N 2.97Å; L6-L8 VanDerWaalsContact C-N 3.31Å
7	S	85.2	Confident	78.8	Confident	87 Å²	87	103.2 Å²	103.2	61%	0.608	57%	0.568	S	S	*	*	H	α-helix	trans	-78.9	-13.5	175	72	0	0	0	0	113.8	Q3 Y4 V5	Q3-S7 PolarHBondContact O-N 3.2Å; Y4-S7 PolarHBondContact O-N 2.9Å; Y4-S7 PolarHBondContact O-OG 3Å; V5-S7 VanDerWaalsContact C-N 3.32Å
8	L	84.3	Confident	79.1	Confident	49 Å²	49	104.1 Å²	104.1	26%	0.257	57%	0.567	S	S	.	*	S	Bend	trans	-74.8	147.9	178.5	-64.1	174.6	0	0	0	111.2	Y4 V5 L6 C12	Y4-L8 HydrophobicContact CD1-CD1 4.5Å; Y4-L8 HydrophobicContact CE1-CD1 4.27Å; Y4-L8 HydrophobicContact CE1-CD2 4.07Å; Y4-L8 HydrophobicContact CE1-CG 4.36Å; Y4-L8 PolarHBondContact O-N 3.05Å; V5-L8 PolarHBondContact O-N 2.91Å; L6-L8 VanDerWaalsContact C-N 3.31Å; L8-C12 HydrophobicContact CB-CB 3.86Å; L8-C12 HydrophobicContact CD1-CB 4.32Å
9	P	83.6	Confident	79.2	Confident	80 Å²	80	104.8 Å²	104.8	52%	0.519	58%	0.577	S	S	.	*			trans	-49.5	147.4	171.4	-26.6	34.4	0	0	0	111.9	T11 C12	P9-T11 PolarHBondContact O-N 3.1Å; P9-T11 VanDerWaalsContact O-N 3.11Å; P9-C12 WeakPolarHBondContact O-CB 3.36Å; P9-C12 PolarHBondContact O-N 3.28Å
10	T	82.1	Confident	79.4	Confident	88 Å²	88	102.9 Å²	102.9	54%	0.54	57%	0.566	S	S	.	*	G	3₁₀ helix	trans	-54.3	-35	-178	-52.6	0	0	0	0	112.9	C12 R13	T10-C12 VanDerWaalsContact C-N 3.28Å; T10-C12 PolarHBondContact O-N 3.18Å; T10-R13 PolarHBondContact O-N 2.79Å; T10-R13 PolarHBondContact OG1-NH2 2.83Å
11	T	80	Confident	79.5	Confident	80 Å²	80	101.5 Å²	101.5	49%	0.491	56%	0.562	S	S	.	*	G	3₁₀ helix	trans	-58.7	-36.6	174.7	47.2	0	0	0	0	113.1	P9 R13 I14	P9-T11 PolarHBondContact O-N 3.1Å; P9-T11 VanDerWaalsContact O-N 3.11Å; T11-R13 PolarHBondContact O-N 2.74Å; T11-I14 PolarHBondContact O-N 2.93Å
12	C	81.8	Confident	80.7	Confident	77 Å²	77	100.4 Å²	100.4	52%	0.52	56%	0.56	S	S	.	*	G	3₁₀ helix	trans	-74.7	-10.9	177.3	-58.6	0	0	0	0	113.6	L8 P9 T10	L8-C12 HydrophobicContact CB-CB 3.86Å; L8-C12 HydrophobicContact CD1-CB 4.32Å; P9-C12 WeakPolarHBondContact O-CB 3.36Å; P9-C12 PolarHBondContact O-N 3.28Å; T10-C12 VanDerWaalsContact C-N 3.28Å; T10-C12 PolarHBondContact O-N 3.18Å
13	R	81.6	Confident	81.5	Confident	109 Å²	109	101.6 Å²	101.6	41%	0.411	56%	0.56	S	S	.	*	G	3₁₀ helix	trans	-96.8	-6.7	179.3	-64.3	-176.3	-74.1	168.5	0.6	113	V5 T10 T11	V5-R13 HydrophobicContact CG1-CG 4.37Å; V5-R13 WeakPolarHBondContact O-CD 3.33Å; T10-R13 PolarHBondContact O-N 2.79Å; T10-R13 PolarHBondContact OG1-NH2 2.83Å; T11-R13 PolarHBondContact O-N 2.74Å
14	I	83	Confident	82	Confident	40 Å²	40	98.5 Å²	98.5	21%	0.205	56%	0.555	C	S	.	*	S	Bend	trans	-81.1	124.4	179.3	-64.6	169	0	0	0	108.1	T11 H18 L20 P21	T11-I14 PolarHBondContact O-N 2.93Å; I14-H18 HydrophobicContact CG2-CB 3.71Å; I14-L20 HydrophobicContact CB-CD2 3.93Å; I14-L20 HydrophobicContact CD1-CD2 3.61Å; I14-L20 HydrophobicContact CG1-CD2 4.34Å; I14-L20 HydrophobicContact CG2-CD2 4.12Å; I14-P21 HydrophobicContact CD1-CG 3.85Å
15	P	84.1	Confident	82	Confident	78 Å²	78	97.1 Å²	97.1	51%	0.506	56%	0.563	S	S	.	*			trans	-60.7	142	176.3	-17.3	28.5	0	0	0	110.2	G17 H18	P15-G17 PolarHBondContact O-N 2.92Å; P15-H18 PolarHBondContact O-N 3.1Å
16	F	82.8	Confident	82.2	Confident	225 Å²	225	99.4 Å²	99.4	99%	0.987	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.4	-23.6	-178.4	-73.7	-65.1	0	0	0	115.1	H18	F16-H18 VanDerWaalsContact C-N 3.25Å; F16-H18 PolarHBondContact O-N 2.82Å
17	G	81.6	Confident	82.3	Confident	77 Å²	77	104.1 Å²	104.1	79%	0.794	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	-4.5	175.4	0	0	0	0	0	115.2	P15	P15-G17 PolarHBondContact O-N 2.92Å
18	H	83.9	Confident	81.9	Confident	118 Å²	118	108.2 Å²	108.2	55%	0.546	60%	0.6	S	S	.	*	S	Bend	trans	-110.7	140.4	-177.3	-62.5	70.1	0	0	0	110.4	I14 P15 F16 L20	I14-H18 HydrophobicContact CG2-CB 3.71Å; P15-H18 PolarHBondContact O-N 3.1Å; F16-H18 VanDerWaalsContact C-N 3.25Å; F16-H18 PolarHBondContact O-N 2.82Å; H18-L20 PolarHBondContact O-N 3.03Å
19	P	81.3	Confident	81.5	Confident	119 Å²	119	111.6 Å²	111.6	77%	0.773	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-62	136.7	174.6	27	-33.1	0	0	0	109.8
20	L	83.2	Confident	80.9	Confident	65 Å²	65	117 Å²	117	34%	0.34	64%	0.643	S	S	.	*	P	Polyproline II helix	trans	-69.2	133.4	170.7	-71.6	172.6	0	0	0	108.9	I14 H18 L23	I14-L20 HydrophobicContact CB-CD2 3.93Å; I14-L20 HydrophobicContact CD1-CD2 3.61Å; I14-L20 HydrophobicContact CG1-CD2 4.34Å; I14-L20 HydrophobicContact CG2-CD2 4.12Å; H18-L20 PolarHBondContact O-N 3.03Å; L20-L23 HydrophobicContact CB-CB 4.31Å; L20-L23 HydrophobicContact CB-CD1 3.68Å; L20-L23 HydrophobicContact CB-CG 4.29Å; L20-L23 HydrophobicContact CD1-CD1 3.52Å; L20-L23 HydrophobicContact CG-CD1 4.23Å; L20-L23 PolarHBondContact O-N 3.24Å
21	P	81.1	Confident	79.9	Confident	75 Å²	75	118.5 Å²	118.5	49%	0.487	64%	0.643	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.2	147.1	174.3	25.8	-31.9	0	0	0	109.5	I14 L23	I14-P21 HydrophobicContact CD1-CG 3.85Å; P21-L23 PolarHBondContact O-N 2.93Å; P21-L23 VanDerWaalsContact O-N 3.11Å
22	D	82.2	Confident	79.1	Confident	170 Å²	170	117.7 Å²	117.7	91%	0.909	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	65.5	4.3	179.7	-46.3	-47.1	0	0	0	116.1
23	L	81.7	Confident	78.1	Confident	110 Å²	110	120.1 Å²	120.1	58%	0.576	65%	0.653	S	S	*	*	S	Bend	trans	-97.7	143.1	169.7	-75.8	177	0	0	0	111.8	L20 P21	L20-L23 HydrophobicContact CB-CB 4.31Å; L20-L23 HydrophobicContact CB-CD1 3.68Å; L20-L23 HydrophobicContact CB-CG 4.29Å; L20-L23 HydrophobicContact CD1-CD1 3.52Å; L20-L23 HydrophobicContact CG-CD1 4.23Å; L20-L23 PolarHBondContact O-N 3.24Å; P21-L23 PolarHBondContact O-N 2.93Å; P21-L23 VanDerWaalsContact O-N 3.11Å
24	P	83.1	Confident	77	Confident	111 Å²	111	123.2 Å²	123.2	72%	0.721	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-62.9	142.8	177.9	24.9	-32.1	0	0	0	110.7	V26	P24-V26 PolarHBondContact O-N 3.48Å
25	T	80.9	Confident	75.8	Confident	130 Å²	130	124.3 Å²	124.3	80%	0.798	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-58	126.4	175.2	-46.7	0	0	0	0	109.9	K27	T25-K27 PolarHBondContact O-N 3.27Å
26	V	79.3	Confident	75	Confident	99 Å²	99	125.9 Å²	125.9	60%	0.6	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-58.8	121	179	-179.9	0	0	0	0	109.5	P24 F28	P24-V26 PolarHBondContact O-N 3.48Å; V26-F28 HydrophobicContact CB-CE2 4.13Å; V26-F28 HydrophobicContact CB-CZ 4.18Å; V26-F28 HydrophobicContact CG1-CD1 4.08Å; V26-F28 HydrophobicContact CG1-CD2 4.16Å; V26-F28 HydrophobicContact CG1-CE1 3.79Å; V26-F28 HydrophobicContact CG1-CE2 3.87Å; V26-F28 HydrophobicContact CG1-CG 4.26Å; V26-F28 HydrophobicContact CG1-CZ 3.68Å
27	K	80.6	Confident	74.3	Confident	200 Å²	200	119.5 Å²	119.5	87%	0.87	65%	0.654	S	S	*	*			trans	-93.1	99.5	169.7	-67.9	-177.4	-178.9	178.2	0	108.3	T25	T25-K27 PolarHBondContact O-N 3.27Å
28	F	78.8	Confident	73.9	Confident	173 Å²	173	118 Å²	118	76%	0.759	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-68.2	137.9	173.9	-62.8	-81.4	0	0	0	110.4	V26 K30	V26-F28 HydrophobicContact CB-CE2 4.13Å; V26-F28 HydrophobicContact CB-CZ 4.18Å; V26-F28 HydrophobicContact CG1-CD1 4.08Å; V26-F28 HydrophobicContact CG1-CD2 4.16Å; V26-F28 HydrophobicContact CG1-CE1 3.79Å; V26-F28 HydrophobicContact CG1-CE2 3.87Å; V26-F28 HydrophobicContact CG1-CG 4.26Å; V26-F28 HydrophobicContact CG1-CZ 3.68Å; F28-K30 PolarHBondContact O-N 3.45Å
29	S	75.7	Confident	73.7	Confident	120 Å²	120	117.3 Å²	117.3	84%	0.839	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-62.7	132.8	167	50.2	0	0	0	0	108.8
30	K	70.8	Confident	73.9	Confident	193 Å²	193	113 Å²	113	84%	0.839	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-90.4	147.8	170.5	-65.9	-174.4	-179.3	-178	0	108.6	F28	F28-K30 PolarHBondContact O-N 3.45Å
31	K	61.4	Low	73.9	Confident	120 Å²	120	114 Å²	114	52%	0.522	60%	0.597	S	S	.	*	P	Polyproline II helix	trans	-52.6	132.7	168.4	-177.1	-169.9	168.1	-170.6	0	109.1	I35 L37	K31-I35 WeakPolarHBondContact CE-O 3.48Å; K31-I35 PolarHBondContact NZ-O 2.88Å; K31-L37 HydrophobicContact CD-CD1 4.3Å
32	P	62.1	Low	74.1	Confident	62 Å²	62	113 Å²	113	40%	0.403	59%	0.59	S	S	.	*	P	Polyproline II helix	trans	-57.7	133.7	170.3	-21.1	31.8	0	0	0	109.9	E34 I35	P32-E34 PolarHBondContact O-N 2.78Å; P32-E34 VanDerWaalsContact O-N 3.13Å; P32-I35 HydrophobicContact CB-CD1 4.21Å; P32-I35 HydrophobicContact CB-CG1 4.29Å; P32-I35 HydrophobicContact CG-CD1 3.9Å; P32-I35 PolarHBondContact O-N 3.41Å
33	P	62	Low	74.1	Confident	128 Å²	128	108.7 Å²	108.7	83%	0.831	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.7	-22	-177.9	23.3	-31.8	0	0	0	113.1
34	E	57.3	Low	74.2	Confident	175 Å²	175	107.6 Å²	107.6	82%	0.818	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-18.7	-174.9	-66.2	149.9	-168	0	0	114.3	P32 E36	P32-E34 PolarHBondContact O-N 2.78Å; P32-E34 VanDerWaalsContact O-N 3.13Å; E34-E36 PolarHBondContact O-N 2.99Å
35	I	58.5	Low	74.2	Confident	62 Å²	62	106 Å²	106	32%	0.318	55%	0.549	S	S	.	.			trans	-89.4	101.7	-175.3	-59.4	176.8	0	0	0	109.2	K31 P32 L37	K31-I35 WeakPolarHBondContact CE-O 3.48Å; K31-I35 PolarHBondContact NZ-O 2.88Å; P32-I35 HydrophobicContact CB-CD1 4.21Å; P32-I35 HydrophobicContact CB-CG1 4.29Å; P32-I35 HydrophobicContact CG-CD1 3.9Å; P32-I35 PolarHBondContact O-N 3.41Å; I35-L37 HydrophobicContact CG2-CD2 4.27Å; I35-L37 HydrophobicContact CG2-CG 4.49Å; I35-L37 PolarHBondContact O-N 3.22Å
36	E	66.8	Low	74.4	Confident	111 Å²	111	109.9 Å²	109.9	52%	0.519	56%	0.558	S	S	.	*			trans	-74.9	105.2	162.5	-73.5	178.6	169.1	0	0	108.5	E34 Y38 K39	E34-E36 PolarHBondContact O-N 2.99Å; E36-Y38 PolarHBondContact O-N 3.01Å; E36-K39 HydrophobicContact CB-CB 3.8Å; E36-K39 HydrophobicContact CB-CD 4.35Å; E36-K39 PolarHBondContact O-N 3.18Å; E36-K39 VanDerWaalsContact OE2-CD 3.27Å; E36-K39 WeakPolarHBondContact OE2-CD 3.26Å; E36-K39 WeakPolarHBondContact OE2-CE 3.29Å; E36-K39 IonicContact OE2-NZ 2.74Å; E36-K39 PolarHBondContact OE2-NZ 2.73Å
37	L	68.5	Low	74.5	Confident	91 Å²	91	109.9 Å²	109.9	48%	0.476	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.7	137.7	174.1	-71.7	167	0	0	0	107.9	K31 I35 K39	K31-L37 HydrophobicContact CD-CD1 4.3Å; I35-L37 HydrophobicContact CG2-CD2 4.27Å; I35-L37 HydrophobicContact CG2-CG 4.49Å; I35-L37 PolarHBondContact O-N 3.22Å; L37-K39 PolarHBondContact O-N 2.75Å
38	Y	73.4	Confident	74.6	Confident	45 Å²	45	101.4 Å²	101.4	18%	0.176	52%	0.523	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	12.7	-179.6	-41.6	-73.7	0	0	0	116.1	E36 T40 E54 P412	E36-Y38 PolarHBondContact O-N 3.01Å; Y38-T40 PolarHBondContact O-N 3.17Å; Y38-T40 VanDerWaalsContact O-N 3.17Å; Y38-E54 WeakPolarHBondContact CA-OE1 3.5Å; Y38-E54 VanDerWaalsContact CD1-OE1 3.31Å; Y38-E54 WeakPolarHBondContact CD1-OE1 3.28Å; Y38-P412 HydrophobicContact CD1-CG 3.63Å; Y38-P412 HydrophobicContact CD2-CG 4.06Å; Y38-P412 HydrophobicContact CE1-CG 3.61Å; Y38-P412 HydrophobicContact CE2-CG 4.03Å; Y38-P412 HydrophobicContact CG-CG 3.86Å
39	K	80	Confident	74.9	Confident	105 Å²	105	93.8 Å²	93.8	46%	0.457	49%	0.491	S	S	.	.			trans	-71.9	107.4	167.2	-171.1	-169	-158.5	132.7	0	109.7	E36 L37 P55	E36-K39 HydrophobicContact CB-CB 3.8Å; E36-K39 HydrophobicContact CB-CD 4.35Å; E36-K39 PolarHBondContact O-N 3.18Å; E36-K39 VanDerWaalsContact OE2-CD 3.27Å; E36-K39 WeakPolarHBondContact OE2-CD 3.26Å; E36-K39 WeakPolarHBondContact OE2-CE 3.29Å; E36-K39 IonicContact OE2-NZ 2.74Å; E36-K39 PolarHBondContact OE2-NZ 2.73Å; L37-K39 PolarHBondContact O-N 2.75Å; K39-P55 WeakPolarHBondContact O-CD 3.4Å
40	T	84.6	Confident	75.3	Confident	27 Å²	27	88 Å²	88	17%	0.166	45%	0.451	C	S	.	.			trans	-88.2	129.5	175.7	-53	0	0	0	0	110.3	Y38 V42 A52 S53 E54 L399 R409	Y38-T40 PolarHBondContact O-N 3.17Å; Y38-T40 VanDerWaalsContact O-N 3.17Å; T40-V42 HydrophobicContact CG2-CG2 4.04Å; T40-A52 HydrophobicContact CG2-CB 3.96Å; T40-S53 WeakPolarHBondContact CA-O 3.19Å; T40-E54 PolarHBondContact OG1-OE2 3.35Å; T40-E54 VanDerWaalsContact OG1-OE2 3.07Å; T40-L399 HydrophobicContact CG2-CD1 3.63Å; T40-R409 HydrophobicContact CG2-CB 4.32Å; T40-R409 WeakPolarHBondContact OG1-CB 3.19Å; T40-R409 VanDerWaalsContact OG1-CG 3.27Å; T40-R409 WeakPolarHBondContact OG1-CG 3.26Å
41	N	83.4	Confident	76.1	Confident	86 Å²	86	81.1 Å²	81.1	46%	0.46	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	139.9	166.9	-60.3	-52.6	0	0	0	109.1	A52 S53	N41-A52 CarbonylContact O-C 3.42Å; N41-A52 WeakPolarHBondContact O-CA 3.18Å; N41-A52 WeakPolarHBondContact O-CB 3.33Å; N41-S53 PolarHBondContact N-O 3.07Å; N41-S53 PolarHBondContact O-N 3.19Å
42	V	84.3	Confident	77.2	Confident	54 Å²	54	76.2 Å²	76.2	33%	0.327	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	134.7	-169	170.3	0	0	0	0	108.6	T40 V51 A52 E228 E229	T40-V42 HydrophobicContact CG2-CG2 4.04Å; V42-V51 CarbonylContact C-O 3.56Å; V42-V51 WeakPolarHBondContact CA-O 3.4Å; V42-A52 HydrophobicContact CG2-CB 4.43Å; V42-E228 HydrophobicContact CB-CB 4.06Å; V42-E228 HydrophobicContact CB-CG 4.2Å; V42-E228 HydrophobicContact CG1-CB 3.57Å; V42-E228 HydrophobicContact CG1-CG 3.49Å; V42-E228 VanDerWaalsContact CG1-CG 3.49Å; V42-E228 HydrophobicContact CG2-CB 3.65Å; V42-E228 HydrophobicContact CG2-CG 3.74Å; V42-E228 WeakPolarHBondContact CG2-OE2 3.41Å; V42-E229 HydrophobicContact CG1-CB 3.96Å
43	T	83.6	Confident	78.4	Confident	81 Å²	81	76.2 Å²	76.2	50%	0.497	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	123.1	179.4	-58.5	0	0	0	0	110.2	V51	T43-V51 PolarHBondContact N-O 3.39Å; T43-V51 WeakPolarHBondContact O-CA 3.32Å; T43-V51 PolarHBondContact O-N 3.02Å
44	I	83.4	Confident	79.4	Confident	86 Å²	86	71.2 Å²	71.2	44%	0.441	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	122.5	171.8	-50.3	175.8	0	0	0	108.1	E229	I44-E229 HydrophobicContact CD1-CB 3.91Å; I44-E229 HydrophobicContact CG1-CB 4Å
45	L	83.8	Confident	80.3	Confident	78 Å²	78	65.8 Å²	65.8	41%	0.408	35%	0.353	S	S	.	.			trans	-74.7	158	173.5	-56.5	-176.3	0	0	0	110.3	N47 G48 V49 V51	L45-N47 WeakPolarHBondContact CB-OD1 3.45Å; L45-N47 PolarHBondContact O-N 3.31Å; L45-N47 VanDerWaalsContact O-N 3.09Å; L45-G48 PolarHBondContact O-N 3.03Å; L45-V49 WeakPolarHBondContact CB-O 3.11Å; L45-V49 HydrophobicContact CD1-CB 4.24Å; L45-V49 HydrophobicContact CD1-CG1 4.38Å; L45-V49 PolarHBondContact N-O 3.19Å; L45-V51 HydrophobicContact CD1-CG2 3.84Å; L45-V51 HydrophobicContact CD2-CG2 4.17Å; L45-V51 HydrophobicContact CG-CG2 3.85Å
46	E	84	Confident	81	Confident	212 Å²	212	65.7 Å²	65.7	99%	0.991	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-29.2	-178.5	-63.8	-178.5	173.4	0	0	113.7	G48	E46-G48 PolarHBondContact O-N 3.31Å
47	N	82.2	Confident	81.3	Confident	99 Å²	99	69.2 Å²	69.2	53%	0.529	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-2.2	177.6	67.9	-3.9	0	0	0	113.5	L45 V49 P221	L45-N47 WeakPolarHBondContact CB-OD1 3.45Å; L45-N47 PolarHBondContact O-N 3.31Å; L45-N47 VanDerWaalsContact O-N 3.09Å; N47-V49 VanDerWaalsContact C-N 3.32Å; N47-V49 WeakPolarHBondContact OD1-CB 3.23Å; N47-V49 PolarHBondContact OD1-N 2.96Å; N47-P221 WeakPolarHBondContact O-CB 3.37Å
48	G	82.2	Confident	81.7	Confident	21 Å²	21	66.8 Å²	66.8	22%	0.216	37%	0.366	C	S	.	.	S	Bend	trans	83.5	1.2	-177.5	0	0	0	0	0	114.6	L45 E46 T50 P221	L45-G48 PolarHBondContact O-N 3.03Å; E46-G48 PolarHBondContact O-N 3.31Å; G48-T50 PolarHBondContact O-OG1 3.34Å; G48-P221 CarbonylContact O-C 3.57Å
49	V	84.3	Confident	82.1	Confident	13 Å²	13	71.7 Å²	71.7	8%	0.079	39%	0.391	C	S	.	.			trans	-67.9	139.5	164.8	175.3	0	0	0	0	108.1	L45 N47 P221 V226	L45-V49 WeakPolarHBondContact CB-O 3.11Å; L45-V49 HydrophobicContact CD1-CB 4.24Å; L45-V49 HydrophobicContact CD1-CG1 4.38Å; L45-V49 PolarHBondContact N-O 3.19Å; N47-V49 VanDerWaalsContact C-N 3.32Å; N47-V49 WeakPolarHBondContact OD1-CB 3.23Å; N47-V49 PolarHBondContact OD1-N 2.96Å; V49-P221 HydrophobicContact CG2-CB 3.8Å; V49-V226 HydrophobicContact CG1-CB 4.34Å; V49-V226 HydrophobicContact CG1-CG2 3.68Å
50	T	84.7	Confident	82.2	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	129.1	-169.7	-63.9	0	0	0	0	105.5	G48 I224 I225 V226 G227 E228 E229	G48-T50 PolarHBondContact O-OG1 3.34Å; T50-I224 WeakPolarHBondContact CB-O 3.47Å; T50-I224 PolarHBondContact N-O 3.45Å; T50-I225 HydrophobicContact CG2-CB 4.39Å; T50-I225 HydrophobicContact CG2-CD1 4.4Å; T50-I225 HydrophobicContact CG2-CG1 3.4Å; T50-I225 VanDerWaalsContact CG2-CG1 3.4Å; T50-V226 CarbonylContact O-C 3.43Å; T50-V226 VanDerWaalsContact O-CA 3.26Å; T50-V226 WeakPolarHBondContact O-CA 3.45Å; T50-V226 VanDerWaalsContact O-CB 3.32Å; T50-V226 WeakPolarHBondContact O-CB 3.42Å; T50-V226 PolarHBondContact O-N 2.94Å; T50-G227 CarbonylContact C-O 3.58Å; T50-G227 WeakPolarHBondContact CG2-O 3.36Å; T50-E228 CarbonylContact C-O 3.53Å; T50-E228 WeakPolarHBondContact CG2-O 3.43Å; T50-E229 WeakPolarHBondContact CG2-O 3.32Å; T50-E229 PolarHBondContact OG1-O 2.88Å
51	V	86.6	Confident	82.2	Confident	47 Å²	47	70.9 Å²	70.9	29%	0.285	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	127.4	175.2	-175.7	0	0	0	0	113.8	V42 T43 L45 V226 G227 E228	V42-V51 CarbonylContact C-O 3.56Å; V42-V51 WeakPolarHBondContact CA-O 3.4Å; T43-V51 PolarHBondContact N-O 3.39Å; T43-V51 WeakPolarHBondContact O-CA 3.32Å; T43-V51 PolarHBondContact O-N 3.02Å; L45-V51 HydrophobicContact CD1-CG2 3.84Å; L45-V51 HydrophobicContact CD2-CG2 4.17Å; L45-V51 HydrophobicContact CG-CG2 3.85Å; V51-V226 CarbonylContact C-O 3.59Å; V51-V226 WeakPolarHBondContact CA-O 3.47Å; V51-V226 HydrophobicContact CG2-CB 4.22Å; V51-G227 CarbonylContact C-O 3.48Å; V51-G227 WeakPolarHBondContact CA-O 3.43Å; V51-G227 PolarHBondContact N-O 3.18Å; V51-E228 CarbonylContact C-O 3.51Å; V51-E228 PolarHBondContact N-O 3.11Å; V51-E228 VanDerWaalsContact N-O 3.07Å; V51-E228 VanDerWaalsContact O-O 3.09Å
52	A	86.6	Confident	82.5	Confident	17 Å²	17	68.1 Å²	68.1	14%	0.14	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	148.7	172.1	0	0	0	0	0	114	T40 N41 V42 V226 G227 E228 I403	T40-A52 HydrophobicContact CG2-CB 3.96Å; N41-A52 CarbonylContact O-C 3.42Å; N41-A52 WeakPolarHBondContact O-CA 3.18Å; N41-A52 WeakPolarHBondContact O-CB 3.33Å; V42-A52 HydrophobicContact CG2-CB 4.43Å; A52-V226 PolarHBondContact N-O 3.47Å; A52-G227 VanDerWaalsContact CA-CA 3.49Å; A52-G227 PolarHBondContact N-O 3.25Å; A52-E228 HydrophobicContact CB-CB 3.72Å; A52-I403 HydrophobicContact CB-CD1 4.06Å
53	S	86	Confident	82.8	Confident	62 Å²	62	67.1 Å²	67.1	43%	0.434	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	147.2	-173.8	56.8	0	0	0	0	109.7	T40 N41	T40-S53 WeakPolarHBondContact CA-O 3.19Å; N41-S53 PolarHBondContact N-O 3.07Å; N41-S53 PolarHBondContact O-N 3.19Å
54	E	82.4	Confident	83.3	Confident	24 Å²	24	63.5 Å²	63.5	11%	0.112	35%	0.345	C	S	.	.			trans	-132.4	131.5	174.3	-156.9	174.9	112	0	0	108.1	Y38 T40 T56 R395 L399	Y38-E54 WeakPolarHBondContact CA-OE1 3.5Å; Y38-E54 VanDerWaalsContact CD1-OE1 3.31Å; Y38-E54 WeakPolarHBondContact CD1-OE1 3.28Å; T40-E54 PolarHBondContact OG1-OE2 3.35Å; T40-E54 VanDerWaalsContact OG1-OE2 3.07Å; E54-T56 PolarHBondContact O-N 3.33Å; E54-R395 VanDerWaalsContact CD-NH2 3.34Å; E54-R395 VanDerWaalsContact CG-NH2 3.34Å; E54-R395 IonicContact OE1-CZ 3.61Å; E54-R395 IonicContact OE1-NE 3.11Å; E54-R395 PolarHBondContact OE1-NE 2.83Å; E54-R395 IonicContact OE1-NH2 2.62Å; E54-R395 PolarHBondContact OE1-NH2 2.77Å; E54-L399 HydrophobicContact CB-CD2 4.42Å
55	P	76.4	Confident	83.7	Confident	60 Å²	60	59.5 Å²	59.5	39%	0.39	33%	0.325	S	S	.	.			trans	-65.5	133.6	-178.7	26.3	-32.2	0	0	0	110.2	K39 R395	K39-P55 WeakPolarHBondContact O-CD 3.4Å; P55-R395 PolarHBondContact O-NH2 2.83Å
56	T	73.2	Confident	84.2	Confident	61 Å²	61	55.8 Å²	55.8	37%	0.374	31%	0.306	S	S	.	.			trans	-127.7	147	174.7	60.2	0	0	0	0	110.3	E54	E54-T56 PolarHBondContact O-N 3.33Å
57	F	73.8	Confident	84.7	Confident	185 Å²	185	45.7 Å²	45.7	81%	0.811	26%	0.258	S	S	*	.	S	Bend	trans	-79.7	144.4	173.1	-174.8	-93.5	0	0	0	111.5	R392	F57-R392 PolarHBondContact O-NH2 2.85Å
58	G	76.8	Confident	85.1	Confident	39 Å²	39	41.6 Å²	41.6	40%	0.402	24%	0.237	S	C	.	.	S	Bend	trans	103.3	173.4	173.1	0	0	0	0	0	114.6	F60	G58-F60 VanDerWaalsContact C-N 3.32Å; G58-F60 PolarHBondContact O-N 3.17Å
59	E	81.5	Confident	85.7	Confident	149 Å²	149	40.6 Å²	40.6	70%	0.696	23%	0.226	S	C	*	.	S	Bend	trans	-83.4	-4.8	-174.9	-62.9	-63.3	133.2	0	0	114	R129 A130	E59-R129 CarbonylContact O-C 3.16Å; E59-R129 WeakPolarHBondContact O-CA 3.45Å; E59-A130 PolarHBondContact O-N 2.95Å
60	F	82.3	Confident	86.2	Confident	94 Å²	94	40 Å²	40	41%	0.412	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	140.4	178.8	-82.5	-99.9	0	0	0	111.1	G58 C128 R129 R392	G58-F60 VanDerWaalsContact C-N 3.32Å; G58-F60 PolarHBondContact O-N 3.17Å; F60-C128 WeakPolarHBondContact CA-O 3.37Å; F60-C128 WeakPolarHBondContact CD1-O 3.38Å; F60-R129 HydrophobicContact CE1-CG 4.16Å; F60-R129 HydrophobicContact CE2-CG 4.25Å; F60-R129 HydrophobicContact CZ-CG 3.96Å; F60-R392 PolarHBondContact O-NE 2.83Å
61	C	84.5	Confident	86.8	Confident	20 Å²	20	40 Å²	40	14%	0.135	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	159	178.3	66.4	0	0	0	0	110.7	S127 C128	C61-S127 WeakPolarHBondContact O-CA 3.23Å; C61-C128 PolarHBondContact N-O 3.4Å; C61-C128 PolarHBondContact O-N 3.07Å
62	T	90.8	Very high	87.3	Confident	29 Å²	29	38.4 Å²	38.4	18%	0.178	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	121.3	165.8	-62.5	0	0	0	0	107.6	S126 S127 R392 F396	T62-S126 CarbonylContact C-O 3.52Å; T62-S126 VanDerWaalsContact CA-O 3.26Å; T62-S126 WeakPolarHBondContact CA-O 3.26Å; T62-S127 PolarHBondContact OG1-OG 3.29Å; T62-R392 VanDerWaalsContact OG1-CB 3.22Å; T62-R392 WeakPolarHBondContact OG1-CB 3.13Å; T62-F396 HydrophobicContact CG2-CB 3.69Å; T62-F396 HydrophobicContact CG2-CD2 4.18Å; T62-F396 HydrophobicContact CG2-CG 3.88Å
63	I	90.2	Very high	87.7	Confident	33 Å²	33	38 Å²	38	17%	0.169	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	157.3	178.5	59	164.3	0	0	0	109.2	A125 S126 A133 V136 L137 I140	I63-A125 CarbonylContact O-C 3.41Å; I63-A125 WeakPolarHBondContact O-CA 3.39Å; I63-S126 PolarHBondContact N-O 3.32Å; I63-S126 PolarHBondContact O-N 3.1Å; I63-A133 HydrophobicContact CD1-CB 4.23Å; I63-A133 VanDerWaalsContact CD1-O 3.22Å; I63-A133 WeakPolarHBondContact CD1-O 3.46Å; I63-A133 HydrophobicContact CG2-CB 4.41Å; I63-V136 HydrophobicContact CD1-CB 3.91Å; I63-V136 HydrophobicContact CD1-CG1 3.87Å; I63-V136 HydrophobicContact CG1-CG1 4.34Å; I63-L137 HydrophobicContact CD1-CB 4.03Å; I63-I140 HydrophobicContact CD1-CD1 4.38Å; I63-I140 HydrophobicContact CG1-CD1 4.32Å
64	G	92.5	Very high	88.2	Confident	4 Å²	4	35.1 Å²	35.1	4%	0.041	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.9	177.3	-177.7	0	0	0	0	0	112.6	Y124 F396	G64-Y124 CarbonylContact C-O 2.88Å; G64-Y124 WeakPolarHBondContact CA-O 3.12Å; G64-F396 VanDerWaalsContact CA-CZ 3.42Å
65	A	93	Very high	88.7	Confident	2 Å²	2	36.6 Å²	36.6	2%	0.017	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	137.6	170.1	0	0	0	0	0	109	Y124 I140 L144 I224 I225 V226	A65-Y124 PolarHBondContact N-O 2.94Å; A65-Y124 PolarHBondContact O-N 3.03Å; A65-I140 HydrophobicContact CB-CG2 4.09Å; A65-L144 HydrophobicContact CB-CD1 3.54Å; A65-I224 HydrophobicContact CB-CG2 4.32Å; A65-I225 CarbonylContact C-O 3.6Å; A65-I225 VanDerWaalsContact CA-O 3.3Å; A65-I225 WeakPolarHBondContact CA-O 3.45Å; A65-V226 HydrophobicContact CB-CG2 4.28Å
66	V	94.1	Very high	89.5	Confident	1 Å²	1	43 Å²	43	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	126	176.7	-174.5	0	0	0	0	108.6	L122 I123 I225 F396 T400 L404	V66-L122 CarbonylContact C-O 3.13Å; V66-L122 WeakPolarHBondContact CA-O 3.37Å; V66-I123 HydrophobicContact CG1-CG1 4Å; V66-I123 HydrophobicContact CG2-CB 4.4Å; V66-I123 HydrophobicContact CG2-CG1 4.14Å; V66-I123 HydrophobicContact CG2-CG2 4.1Å; V66-I225 PolarHBondContact N-O 2.69Å; V66-I225 PolarHBondContact O-N 3.36Å; V66-F396 HydrophobicContact CG2-CE1 3.8Å; V66-F396 HydrophobicContact CG2-CZ 4.05Å; V66-T400 HydrophobicContact CG2-CG2 3.8Å; V66-T400 WeakPolarHBondContact CG2-OG1 3.43Å; V66-L404 HydrophobicContact CG1-CD1 3.65Å
67	V	93.6	Very high	90.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	129	178.2	-166.1	0	0	0	0	108.7	A69 S121 L122 L144 Y218 Y219 R223 I224	V67-A69 HydrophobicContact CB-CB 4.25Å; V67-A69 HydrophobicContact CG1-CB 3.8Å; V67-A69 PolarHBondContact O-N 3.08Å; V67-S121 WeakPolarHBondContact O-CA 3.35Å; V67-L122 HydrophobicContact CB-CB 4.5Å; V67-L122 PolarHBondContact N-O 2.8Å; V67-L122 PolarHBondContact O-N 3.45Å; V67-L144 HydrophobicContact CG2-CD2 3.72Å; V67-Y218 WeakPolarHBondContact CG1-O 3.24Å; V67-Y219 HydrophobicContact CG1-CD2 3.85Å; V67-Y219 HydrophobicContact CG1-CE2 4.15Å; V67-Y219 HydrophobicContact CG1-CG 4.12Å; V67-Y219 HydrophobicContact CG2-CD1 4.32Å; V67-Y219 HydrophobicContact CG2-CE1 4.21Å; V67-R223 CarbonylContact C-O 3.05Å; V67-R223 WeakPolarHBondContact CA-O 3.4Å; V67-I224 HydrophobicContact CG1-CG1 4.12Å; V67-I224 HydrophobicContact CG2-CG1 4.18Å
68	N	92.4	Very high	91.7	Very high	13 Å²	13	33.9 Å²	33.9	7%	0.07	18%	0.182	C	C	.	.	S	Bend	trans	-73	73.3	169.2	-162.2	-24.5	0	0	0	110.6	Y73 D120 R223 M231 V233 L404	N68-Y73 WeakPolarHBondContact OD1-CE2 3.44Å; N68-Y73 PolarHBondContact OD1-OH 3.03Å; N68-D120 PolarHBondContact OD1-O 2.73Å; N68-R223 HydrophobicContact CB-CB 4.28Å; N68-R223 HydrophobicContact CB-CG 4.48Å; N68-R223 PolarHBondContact N-O 3.25Å; N68-R223 PolarHBondContact O-NH1 3.13Å; N68-M231 HydrophobicContact CB-CE 3.99Å; N68-V233 WeakPolarHBondContact ND2-CG1 3.47Å; N68-V233 WeakPolarHBondContact ND2-CG2 3.49Å; N68-L404 HydrophobicContact CB-CD2 3.6Å
69	A	93.9	Very high	92.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.172	C	C	.	.			trans	-146.3	170.3	-176.7	0	0	0	0	0	107.8	V67 D120 S121 L122 F214 Y219	V67-A69 HydrophobicContact CB-CB 4.25Å; V67-A69 HydrophobicContact CG1-CB 3.8Å; V67-A69 PolarHBondContact O-N 3.08Å; A69-D120 CarbonylContact O-C 3.53Å; A69-S121 CarbonylContact O-C 3.21Å; A69-S121 WeakPolarHBondContact O-CA 3.42Å; A69-S121 PolarHBondContact O-N 2.8Å; A69-L122 HydrophobicContact CB-CD1 3.6Å; A69-L122 PolarHBondContact O-N 3Å; A69-F214 HydrophobicContact CB-CE1 4.08Å; A69-F214 HydrophobicContact CB-CZ 4.25Å; A69-Y219 HydrophobicContact CB-CE2 4.3Å
70	G	95.7	Very high	93.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	146.2	179	-176.4	0	0	0	0	0	111.2	R72 Y73 S82 K119	G70-R72 PolarHBondContact O-N 2.92Å; G70-R72 VanDerWaalsContact O-N 3.07Å; G70-Y73 PolarHBondContact O-N 3.39Å; G70-S82 VanDerWaalsContact CA-OG 3.24Å; G70-S82 WeakPolarHBondContact CA-OG 3.23Å; G70-K119 CarbonylContact C-O 3.6Å
71	S	97.5	Very high	94.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-59.2	-25.9	-174.3	48.5	0	0	0	0	113.9	Y73 E74 S82 K119 L194 P195 K196	S71-Y73 PolarHBondContact O-N 2.97Å; S71-Y73 VanDerWaalsContact O-N 3.13Å; S71-E74 WeakPolarHBondContact O-CB 3.38Å; S71-E74 PolarHBondContact O-N 3.42Å; S71-E74 VanDerWaalsContact O-N 3.14Å; S71-S82 PolarHBondContact N-OG 3.21Å; S71-K119 PolarHBondContact N-O 3.35Å; S71-K119 WeakPolarHBondContact OG-CA 3.47Å; S71-L194 WeakPolarHBondContact O-CB 3.41Å; S71-L194 VanDerWaalsContact O-CD1 3.27Å; S71-L194 WeakPolarHBondContact O-CD1 3.22Å; S71-P195 WeakPolarHBondContact CB-O 3.28Å; S71-K196 WeakPolarHBondContact OG-CA 3.17Å
72	R	95.9	Very high	94.8	Very high	13 Å²	13	21.7 Å²	21.7	5%	0.049	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-62.9	-20.3	176.6	80.1	-178	-78.8	159.1	4	114.2	G70 K119 D120 T191 S236 D336	G70-R72 PolarHBondContact O-N 2.92Å; G70-R72 VanDerWaalsContact O-N 3.07Å; R72-K119 WeakPolarHBondContact CB-O 3.18Å; R72-K119 WeakPolarHBondContact CG-O 3.42Å; R72-K119 PolarHBondContact N-O 3.44Å; R72-D120 HydrophobicContact CG-CB 4.47Å; R72-T191 VanDerWaalsContact CA-O 3.26Å; R72-T191 WeakPolarHBondContact CA-O 3.07Å; R72-S236 PolarHBondContact NH2-O 3.4Å; R72-S236 VanDerWaalsContact NH2-O 3.12Å; R72-D336 IonicContact CZ-OD1 2.72Å; R72-D336 IonicContact CZ-OD2 2.59Å; R72-D336 IonicContact NH1-OD1 3.45Å; R72-D336 PolarHBondContact NH1-OD1 3.07Å; R72-D336 IonicContact NH1-OD2 2.68Å; R72-D336 VanDerWaalsContact NH2-CG 3.33Å; R72-D336 IonicContact NH2-OD1 2.82Å; R72-D336 PolarHBondContact NH2-OD1 2.97Å; R72-D336 IonicContact NH2-OD2 2.92Å; R72-D336 PolarHBondContact NH2-OD2 3.38Å
73	Y	95.5	Very high	95.2	Very high	10 Å²	10	20.4 Å²	20.4	4%	0.039	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-100.9	6.8	-178.2	-55.9	-64.9	0	0	0	112.9	N68 G70 S71 A75 Y218 V233 D234	N68-Y73 WeakPolarHBondContact OD1-CE2 3.44Å; N68-Y73 PolarHBondContact OD1-OH 3.03Å; G70-Y73 PolarHBondContact O-N 3.39Å; S71-Y73 PolarHBondContact O-N 2.97Å; S71-Y73 VanDerWaalsContact O-N 3.13Å; Y73-A75 VanDerWaalsContact C-N 3.28Å; Y73-A75 PolarHBondContact O-N 2.77Å; Y73-Y218 HydrophobicContact CD1-CE1 4.46Å; Y73-Y218 HydrophobicContact CG-CE1 4.29Å; Y73-Y218 WeakPolarHBondContact O-CE2 3.41Å; Y73-Y218 PolarHBondContact O-OH 3.09Å; Y73-V233 HydrophobicContact CE1-CG1 4.47Å; Y73-V233 WeakPolarHBondContact OH-CG1 3.21Å; Y73-D234 HydrophobicContact CD1-CB 3.91Å; Y73-D234 WeakPolarHBondContact CD1-OD2 3.48Å; Y73-D234 HydrophobicContact CE1-CB 3.75Å
74	E	96	Very high	95.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.097	C	C	.	.			trans	-86.2	10	-177	-66.4	179.8	-169.4	0	0	113.2	S71 K76 F77 K79 G80 I81 S82 F214	S71-E74 WeakPolarHBondContact O-CB 3.38Å; S71-E74 PolarHBondContact O-N 3.42Å; S71-E74 VanDerWaalsContact O-N 3.14Å; E74-K76 PolarHBondContact O-N 3.08Å; E74-F77 HydrophobicContact CB-CB 4.39Å; E74-F77 CarbonylContact O-C 3.56Å; E74-F77 PolarHBondContact O-N 3Å; E74-K79 HydrophobicContact CB-CD 4.29Å; E74-K79 PolarHBondContact O-NZ 3.2Å; E74-K79 WeakPolarHBondContact OE2-CA 3.32Å; E74-G80 PolarHBondContact OE2-N 2.89Å; E74-I81 HydrophobicContact CG-CB 4.44Å; E74-I81 PolarHBondContact OE1-N 3.19Å; E74-I81 PolarHBondContact OE2-N 3.19Å; E74-S82 WeakPolarHBondContact OE1-CB 3.03Å; E74-S82 PolarHBondContact OE1-N 3.36Å; E74-S82 PolarHBondContact OE1-OG 3.01Å; E74-F214 HydrophobicContact CG-CD2 4.39Å; E74-F214 HydrophobicContact CG-CE2 3.73Å; E74-F214 HydrophobicContact CG-CZ 4.45Å
75	A	93.7	Very high	95.8	Very high	55 Å²	55	18.7 Å²	18.7	46%	0.455	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.3	-42.6	-175.8	0	0	0	0	0	113.4	Y73 K79 L194	Y73-A75 VanDerWaalsContact C-N 3.28Å; Y73-A75 PolarHBondContact O-N 2.77Å; A75-K79 VanDerWaalsContact C-NZ 3.33Å; A75-K79 PolarHBondContact O-NZ 3.44Å; A75-L194 HydrophobicContact CB-CD1 4.16Å
76	K	93.5	Very high	96.1	Very high	195 Å²	195	20.1 Å²	20.1	85%	0.848	10%	0.102	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.2	7.7	179.9	-61.1	-179.5	-178.3	174.5	0	114.5	E74	E74-K76 PolarHBondContact O-N 3.08Å
77	F	95.6	Very high	96.2	Very high	24 Å²	24	23.3 Å²	23.3	11%	0.105	12%	0.116	C	C	.	.	S	Bend	trans	-120.2	159.9	-177.6	-62.8	-88.7	0	0	0	110.1	E74 K79 I81 F214 Y218	E74-F77 HydrophobicContact CB-CB 4.39Å; E74-F77 CarbonylContact O-C 3.56Å; E74-F77 PolarHBondContact O-N 3Å; F77-K79 PolarHBondContact O-NZ 2.8Å; F77-I81 HydrophobicContact CB-CG1 4.13Å; F77-F214 HydrophobicContact CD1-CB 4.05Å; F77-F214 HydrophobicContact CD1-CD2 4.3Å; F77-F214 AromaticContact CD2-CD2 3.88Å; F77-F214 HydrophobicContact CD2-CD2 3.88Å; F77-F214 HydrophobicContact CE1-CB 3.89Å; F77-F214 HydrophobicContact CE1-CD2 4.46Å; F77-F214 HydrophobicContact CE2-CD2 4.06Å; F77-F214 HydrophobicContact CG-CD2 4.01Å; F77-F214 HydrophobicContact CZ-CB 4.3Å; F77-F214 HydrophobicContact CZ-CD2 4.35Å; F77-Y218 HydrophobicContact CD2-CE2 4.23Å; F77-Y218 AromaticContact CE2-CE2 3.57Å; F77-Y218 HydrophobicContact CE2-CE2 3.57Å; F77-Y218 HydrophobicContact CZ-CE2 4.24Å
78	P	96.4	Very high	96.5	Very high	31 Å²	31	23.4 Å²	23.4	20%	0.201	12%	0.116	C	C	.	.			trans	-53.1	140.9	164.1	-22.6	33.5	0	0	0	110.1	G80 I81 I206	P78-G80 PolarHBondContact O-N 2.96Å; P78-I81 WeakPolarHBondContact O-CG1 3.45Å; P78-I206 HydrophobicContact CB-CD1 4.29Å; P78-I206 HydrophobicContact CB-CG1 3.7Å; P78-I206 HydrophobicContact CG-CG1 4.36Å
79	K	97.2	Very high	96.7	Very high	45 Å²	45	23.5 Å²	23.5	20%	0.196	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	120.3	-177.5	-46.9	-53.4	174.9	-152.6	0	110	E74 A75 F77 L194 P195 C198 Q199 N202	E74-K79 HydrophobicContact CB-CD 4.29Å; E74-K79 PolarHBondContact O-NZ 3.2Å; E74-K79 WeakPolarHBondContact OE2-CA 3.32Å; A75-K79 VanDerWaalsContact C-NZ 3.33Å; A75-K79 PolarHBondContact O-NZ 3.44Å; F77-K79 PolarHBondContact O-NZ 2.8Å; K79-L194 HydrophobicContact CD-CD2 4.13Å; K79-P195 HydrophobicContact CB-CG 3.76Å; K79-P195 HydrophobicContact CG-CG 4.12Å; K79-C198 PolarHBondContact O-SG 3.31Å; K79-Q199 HydrophobicContact CB-CG 4.39Å; K79-N202 PolarHBondContact N-ND2 3.37Å; K79-N202 PolarHBondContact O-ND2 2.87Å
80	G	97.3	Very high	96.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	125.3	2.6	-175.6	0	0	0	0	0	115.1	E74 P78 S82 H83 F84	E74-G80 PolarHBondContact OE2-N 2.89Å; P78-G80 PolarHBondContact O-N 2.96Å; G80-S82 VanDerWaalsContact C-N 3.34Å; G80-S82 PolarHBondContact O-N 3.12Å; G80-H83 WeakPolarHBondContact O-CB 3.31Å; G80-H83 PolarHBondContact O-N 3.45Å; G80-H83 VanDerWaalsContact O-N 3.13Å; G80-F84 WeakPolarHBondContact O-CD2 3.29Å; G80-F84 PolarHBondContact O-N 2.65Å
81	I	98	Very high	96.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-58.9	-45.7	-178.5	-67.9	-68.5	0	0	0	111.4	E74 F77 P78 H83 F84 L85 I206 D210 L211 F214	E74-I81 HydrophobicContact CG-CB 4.44Å; E74-I81 PolarHBondContact OE1-N 3.19Å; E74-I81 PolarHBondContact OE2-N 3.19Å; F77-I81 HydrophobicContact CB-CG1 4.13Å; P78-I81 WeakPolarHBondContact O-CG1 3.45Å; I81-H83 VanDerWaalsContact C-N 3.27Å; I81-H83 PolarHBondContact O-N 2.95Å; I81-F84 PolarHBondContact O-N 2.69Å; I81-L85 HydrophobicContact CG2-CD1 3.83Å; I81-L85 HydrophobicContact CG2-CG 4.23Å; I81-L85 WeakPolarHBondContact O-CG 3Å; I81-L85 PolarHBondContact O-N 2.85Å; I81-I206 HydrophobicContact CD1-CB 4.46Å; I81-I206 HydrophobicContact CD1-CD1 4.2Å; I81-I206 HydrophobicContact CD1-CG1 3.98Å; I81-I206 HydrophobicContact CD1-CG2 3.72Å; I81-D210 HydrophobicContact CD1-CB 3.74Å; I81-L211 HydrophobicContact CD1-CD2 4.09Å; I81-L211 HydrophobicContact CG2-CD2 4.24Å; I81-F214 HydrophobicContact CB-CD2 4.36Å; I81-F214 HydrophobicContact CB-CG 4.42Å; I81-F214 HydrophobicContact CG2-CB 3.55Å; I81-F214 HydrophobicContact CG2-CD1 3.73Å; I81-F214 HydrophobicContact CG2-CD2 3.82Å; I81-F214 HydrophobicContact CG2-CE1 4.33Å; I81-F214 HydrophobicContact CG2-CE2 4.43Å; I81-F214 HydrophobicContact CG2-CG 3.42Å; I81-F214 VanDerWaalsContact CG2-CG 3.42Å
82	S	98.3	Very high	96.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-63	-35.6	178.1	-52.2	0	0	0	0	111.8	G70 S71 E74 G80 L85 E86	G70-S82 VanDerWaalsContact CA-OG 3.24Å; G70-S82 WeakPolarHBondContact CA-OG 3.23Å; S71-S82 PolarHBondContact N-OG 3.21Å; E74-S82 WeakPolarHBondContact OE1-CB 3.03Å; E74-S82 PolarHBondContact OE1-N 3.36Å; E74-S82 PolarHBondContact OE1-OG 3.01Å; G80-S82 VanDerWaalsContact C-N 3.34Å; G80-S82 PolarHBondContact O-N 3.12Å; S82-L85 PolarHBondContact O-N 3.37Å; S82-E86 PolarHBondContact O-N 3.08Å
83	H	98.3	Very high	96.8	Very high	3 Å²	3	25.4 Å²	25.4	1%	0.014	13%	0.13	C	C	.	.	H	α-helix	trans	-67.7	-40.8	175.9	-168.1	-169.2	0	0	0	111.2	G80 I81 K87 H117 C198	G80-H83 WeakPolarHBondContact O-CB 3.31Å; G80-H83 PolarHBondContact O-N 3.45Å; G80-H83 VanDerWaalsContact O-N 3.13Å; I81-H83 VanDerWaalsContact C-N 3.27Å; I81-H83 PolarHBondContact O-N 2.95Å; H83-K87 WeakPolarHBondContact O-CG 3.46Å; H83-K87 PolarHBondContact O-N 2.95Å; H83-H117 AromaticContact CD2-CE1 3.64Å; H83-H117 AromaticContact CG-CE1 3.86Å; H83-C198 HydrophobicContact CB-CB 4.41Å
84	F	98.5	Very high	96.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64.7	-45.6	172.7	-91.8	-100.3	0	0	0	112.2	G80 I81 E86 K87 L88 I154 A157 R158 V161 I206 L211	G80-F84 WeakPolarHBondContact O-CD2 3.29Å; G80-F84 PolarHBondContact O-N 2.65Å; I81-F84 PolarHBondContact O-N 2.69Å; F84-E86 VanDerWaalsContact C-N 3.26Å; F84-E86 PolarHBondContact O-N 3.17Å; F84-K87 PolarHBondContact O-N 3.24Å; F84-L88 WeakPolarHBondContact O-CB 2.93Å; F84-L88 VanDerWaalsContact O-CG 3.31Å; F84-L88 WeakPolarHBondContact O-CG 3.03Å; F84-L88 PolarHBondContact O-N 3.13Å; F84-I154 HydrophobicContact CE1-CG2 4.41Å; F84-A157 HydrophobicContact CD1-CB 4.31Å; F84-R158 HydrophobicContact CE1-CB 3.86Å; F84-R158 HydrophobicContact CE1-CG 4.47Å; F84-R158 HydrophobicContact CZ-CB 3.96Å; F84-R158 HydrophobicContact CZ-CG 4.09Å; F84-V161 HydrophobicContact CD2-CG1 4.46Å; F84-V161 HydrophobicContact CD2-CG2 4.17Å; F84-V161 HydrophobicContact CE2-CB 4.41Å; F84-V161 HydrophobicContact CE2-CG1 4.06Å; F84-V161 HydrophobicContact CE2-CG2 4.32Å; F84-V161 HydrophobicContact CG-CG2 4.44Å; F84-I206 HydrophobicContact CB-CG2 4.49Å; F84-I206 HydrophobicContact CD1-CG2 4.14Å; F84-I206 HydrophobicContact CD2-CB 4.39Å; F84-I206 HydrophobicContact CD2-CD1 3.65Å; F84-I206 HydrophobicContact CD2-CG2 4.1Å; F84-I206 HydrophobicContact CE1-CG2 4.36Å; F84-I206 HydrophobicContact CE2-CB 4.18Å; F84-I206 HydrophobicContact CE2-CD1 3.69Å; F84-I206 HydrophobicContact CE2-CG1 4.5Å; F84-I206 HydrophobicContact CE2-CG2 4.33Å; F84-I206 HydrophobicContact CG-CG2 4Å; F84-I206 HydrophobicContact CZ-CB 4.29Å; F84-I206 HydrophobicContact CZ-CG2 4.44Å; F84-L211 HydrophobicContact CB-CD2 3.75Å
85	L	98.4	Very high	96.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61	-35.3	178.8	-71.3	174.5	0	0	0	112.2	I81 S82 L88 A89 L122 F149 L211 F214 M215 Y219	I81-L85 HydrophobicContact CG2-CD1 3.83Å; I81-L85 HydrophobicContact CG2-CG 4.23Å; I81-L85 WeakPolarHBondContact O-CG 3Å; I81-L85 PolarHBondContact O-N 2.85Å; S82-L85 PolarHBondContact O-N 3.37Å; L85-L88 PolarHBondContact O-N 3.03Å; L85-A89 PolarHBondContact O-N 3.23Å; L85-L122 HydrophobicContact CB-CD2 3.81Å; L85-L122 HydrophobicContact CD1-CD2 4.49Å; L85-F149 HydrophobicContact CD2-CE2 3.96Å; L85-F149 HydrophobicContact CD2-CZ 4Å; L85-L211 HydrophobicContact CD2-CB 4.38Å; L85-L211 HydrophobicContact CD2-CD2 4Å; L85-L211 HydrophobicContact CG-CD2 4.09Å; L85-F214 HydrophobicContact CD1-CD1 3.55Å; L85-F214 HydrophobicContact CD1-CE1 3.86Å; L85-M215 HydrophobicContact CD1-CG 4.05Å; L85-M215 HydrophobicContact CD2-CG 3.89Å; L85-M215 HydrophobicContact CD2-SD 3.63Å; L85-Y219 HydrophobicContact CD1-CE2 4.27Å
86	E	98	Very high	96.8	Very high	33 Å²	33	35.5 Å²	35.5	15%	0.154	16%	0.164	C	C	.	.	H	α-helix	trans	-58.8	-48	171.4	-171.9	-169.8	105.6	0	0	111.4	S82 F84 L88 A89 C115 Q116 H117	S82-E86 PolarHBondContact O-N 3.08Å; F84-E86 VanDerWaalsContact C-N 3.26Å; F84-E86 PolarHBondContact O-N 3.17Å; E86-L88 VanDerWaalsContact C-N 3.28Å; E86-L88 PolarHBondContact O-N 2.94Å; E86-A89 VanDerWaalsContact O-CB 3.29Å; E86-A89 WeakPolarHBondContact O-CB 3.23Å; E86-A89 PolarHBondContact O-N 2.87Å; E86-C115 HydrophobicContact CG-CB 4.33Å; E86-C115 WeakPolarHBondContact CG-O 3.04Å; E86-Q116 WeakPolarHBondContact OE2-CA 3.34Å; E86-H117 IonicContact OE2-CE1 2.95Å; E86-H117 PolarHBondContact OE2-CE1 3.48Å; E86-H117 IonicContact OE2-CG 3.13Å; E86-H117 PolarHBondContact OE2-N 2.91Å; E86-H117 IonicContact OE2-ND1 3.54Å; E86-H117 PolarHBondContact OE2-ND1 3.35Å
87	K	97.4	Very high	96.9	Very high	68 Å²	68	33.7 Å²	33.7	30%	0.296	16%	0.156	S	C	.	.	H	α-helix	trans	-76.3	-17.4	-177.7	-55.6	-45.9	173.5	179.9	0	113.8	H83 F84 A157 V160 V161 N164	H83-K87 WeakPolarHBondContact O-CG 3.46Å; H83-K87 PolarHBondContact O-N 2.95Å; F84-K87 PolarHBondContact O-N 3.24Å; K87-A157 HydrophobicContact CB-CB 4.01Å; K87-V160 HydrophobicContact CD-CG1 3.9Å; K87-V160 HydrophobicContact CG-CG1 4Å; K87-V161 HydrophobicContact CG-CG2 3.93Å; K87-N164 WeakPolarHBondContact CE-ND2 3.46Å; K87-N164 PolarHBondContact NZ-ND2 3.19Å
88	L	98	Very high	96.8	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-3.6	173.9	-69.7	168.5	0	0	0	112.8	F84 L85 E86 T91 F149 E153 I154 A157 L211	F84-L88 WeakPolarHBondContact O-CB 2.93Å; F84-L88 VanDerWaalsContact O-CG 3.31Å; F84-L88 WeakPolarHBondContact O-CG 3.03Å; F84-L88 PolarHBondContact O-N 3.13Å; L85-L88 PolarHBondContact O-N 3.03Å; E86-L88 VanDerWaalsContact C-N 3.28Å; E86-L88 PolarHBondContact O-N 2.94Å; L88-T91 HydrophobicContact CD2-CG2 4.39Å; L88-T91 WeakPolarHBondContact O-CB 3.43Å; L88-T91 VanDerWaalsContact O-CG2 3.26Å; L88-T91 WeakPolarHBondContact O-CG2 3.39Å; L88-T91 PolarHBondContact O-N 3.4Å; L88-T91 PolarHBondContact O-OG1 3.35Å; L88-F149 HydrophobicContact CB-CD1 3.99Å; L88-F149 HydrophobicContact CB-CE1 3.59Å; L88-F149 HydrophobicContact CB-CZ 4.12Å; L88-F149 HydrophobicContact CD1-CD1 4.16Å; L88-F149 HydrophobicContact CD1-CD2 4.37Å; L88-F149 HydrophobicContact CD1-CE1 4.28Å; L88-F149 HydrophobicContact CD1-CE2 4.48Å; L88-F149 HydrophobicContact CD1-CG 4.21Å; L88-F149 HydrophobicContact CD1-CZ 4.43Å; L88-F149 HydrophobicContact CD2-CD1 4.15Å; L88-F149 HydrophobicContact CG-CD1 4.34Å; L88-F149 HydrophobicContact CG-CE1 4.38Å; L88-E153 HydrophobicContact CD2-CB 3.95Å; L88-I154 HydrophobicContact CD1-CG1 4.43Å; L88-I154 HydrophobicContact CD2-CG1 4.48Å; L88-A157 HydrophobicContact CD2-CB 3.67Å; L88-A157 HydrophobicContact CG-CB 3.73Å; L88-L211 HydrophobicContact CD1-CD1 3.51Å; L88-L211 HydrophobicContact CD1-CD2 4.37Å
89	A	97	Very high	96.6	Very high	14 Å²	14	36.6 Å²	36.6	12%	0.116	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	141.2	174.7	0	0	0	0	0	110.7	L85 E86 T91 C115 Y124	L85-A89 PolarHBondContact O-N 3.23Å; E86-A89 VanDerWaalsContact O-CB 3.29Å; E86-A89 WeakPolarHBondContact O-CB 3.23Å; E86-A89 PolarHBondContact O-N 2.87Å; A89-T91 PolarHBondContact O-N 3.49Å; A89-C115 HydrophobicContact CB-CB 3.21Å; A89-Y124 HydrophobicContact CB-CD1 3.99Å; A89-Y124 HydrophobicContact CB-CE1 3.45Å; A89-Y124 VanDerWaalsContact CB-CE1 3.45Å
90	F	96	Very high	96.5	Very high	25 Å²	25	39.9 Å²	39.9	11%	0.11	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	28.4	-179.3	-47.5	-74.3	0	0	0	113.8	I102 V113 C115 Y124 L139 I140 S143	F90-I102 HydrophobicContact CB-CG2 4.48Å; F90-I102 WeakPolarHBondContact O-CD1 3.46Å; F90-V113 HydrophobicContact CB-CG2 4.27Å; F90-V113 HydrophobicContact CD1-CB 4.2Å; F90-V113 HydrophobicContact CD1-CG2 3.95Å; F90-V113 HydrophobicContact CD2-CB 4.13Å; F90-V113 HydrophobicContact CD2-CG2 3.63Å; F90-V113 HydrophobicContact CE1-CB 3.9Å; F90-V113 HydrophobicContact CE1-CG1 4.2Å; F90-V113 HydrophobicContact CE1-CG2 4.17Å; F90-V113 HydrophobicContact CE2-CB 3.83Å; F90-V113 HydrophobicContact CE2-CG2 3.87Å; F90-V113 HydrophobicContact CG-CB 4.3Å; F90-V113 HydrophobicContact CG-CG2 3.67Å; F90-V113 HydrophobicContact CZ-CB 3.71Å; F90-V113 HydrophobicContact CZ-CG1 4.42Å; F90-V113 HydrophobicContact CZ-CG2 4.13Å; F90-C115 HydrophobicContact CE2-CB 4.11Å; F90-Y124 HydrophobicContact CE2-CD1 4.3Å; F90-Y124 HydrophobicContact CZ-CD1 4.15Å; F90-L139 HydrophobicContact CD1-CD1 4.49Å; F90-L139 HydrophobicContact CD1-CD2 4.34Å; F90-L139 HydrophobicContact CD1-CG 4.06Å; F90-L139 HydrophobicContact CE1-CG 4.43Å; F90-I140 HydrophobicContact CE1-CG1 3.96Å; F90-I140 HydrophobicContact CZ-CG1 4.29Å; F90-S143 PolarHBondContact N-OG 2.67Å
91	T	96	Very high	96.4	Very high	14 Å²	14	42.7 Å²	42.7	9%	0.086	21%	0.208	C	C	.	.	S	Bend	trans	-85.1	169.9	163.3	59.4	0	0	0	0	110.4	L88 A89 S93 I102 E153	L88-T91 HydrophobicContact CD2-CG2 4.39Å; L88-T91 WeakPolarHBondContact O-CB 3.43Å; L88-T91 VanDerWaalsContact O-CG2 3.26Å; L88-T91 WeakPolarHBondContact O-CG2 3.39Å; L88-T91 PolarHBondContact O-N 3.4Å; L88-T91 PolarHBondContact O-OG1 3.35Å; A89-T91 PolarHBondContact O-N 3.49Å; T91-S93 PolarHBondContact O-N 2.93Å; T91-I102 VanDerWaalsContact C-CD1 3.44Å; T91-I102 VanDerWaalsContact O-CD1 3.28Å; T91-I102 WeakPolarHBondContact O-CD1 3.4Å; T91-E153 HydrophobicContact CG2-CG 4.46Å
92	P	97	Very high	96.3	Very high	11 Å²	11	42.9 Å²	42.9	7%	0.071	21%	0.209	C	C	.	.			trans	-48.5	137.4	-179.1	-32.4	39.1	0	0	0	114	F96 N148	P92-F96 CarbonylContact C-O 3.51Å; P92-F96 VanDerWaalsContact CA-O 3.3Å; P92-F96 WeakPolarHBondContact CA-O 3.37Å; P92-N148 WeakPolarHBondContact O-CA 3.48Å; P92-N148 WeakPolarHBondContact O-CB 3.26Å; P92-N148 PolarHBondContact O-N 3.01Å
93	S	96.2	Very high	96.1	Very high	4 Å²	4	45.8 Å²	45.8	3%	0.028	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-119.2	-176.7	-178.7	82.1	0	0	0	0	110.6	T91 K95 F96 E142 H146	T91-S93 PolarHBondContact O-N 2.93Å; S93-K95 VanDerWaalsContact C-N 3.31Å; S93-K95 PolarHBondContact O-N 2.87Å; S93-K95 PolarHBondContact OG-N 3.3Å; S93-F96 PolarHBondContact N-O 3.21Å; S93-F96 PolarHBondContact OG-N 2.91Å; S93-E142 VanDerWaalsContact CB-OE2 3.3Å; S93-E142 WeakPolarHBondContact CB-OE2 3.28Å; S93-E142 PolarHBondContact OG-OE2 3.44Å; S93-H146 CarbonylContact C-O 3.57Å; S93-H146 VanDerWaalsContact CA-O 3.27Å; S93-H146 WeakPolarHBondContact CA-O 3.11Å; S93-H146 VanDerWaalsContact CB-O 3.3Å; S93-H146 WeakPolarHBondContact CB-O 3.48Å
94	K	95.2	Very high	95.9	Very high	166 Å²	166	51.7 Å²	51.7	72%	0.722	25%	0.254	S	S	*	.	S	Bend	trans	-60.2	-41.1	173.3	-174	-179.5	178.3	-175.3	0	112.1	H146	K94-H146 HydrophobicContact CB-CB 3.92Å; K94-H146 PolarHBondContact N-O 3.48Å
95	K	95.9	Very high	95.7	Very high	98 Å²	98	53.6 Å²	53.6	43%	0.426	26%	0.264	S	S	.	.	S	Bend	trans	-82.2	-46.6	179.2	-170.7	175.6	-174.4	178.9	0	112.7	S93 E138 E142	S93-K95 VanDerWaalsContact C-N 3.31Å; S93-K95 PolarHBondContact O-N 2.87Å; S93-K95 PolarHBondContact OG-N 3.3Å; K95-E138 IonicContact NZ-OE1 2.59Å; K95-E138 PolarHBondContact NZ-OE1 3.49Å; K95-E138 IonicContact NZ-OE2 2.67Å; K95-E138 PolarHBondContact NZ-OE2 3.47Å; K95-E142 HydrophobicContact CB-CG 3.88Å; K95-E142 WeakPolarHBondContact CB-OE2 3.44Å; K95-E142 HydrophobicContact CD-CG 4.48Å; K95-E142 PolarHBondContact N-OE2 2.89Å
96	F	95.4	Very high	95.4	Very high	13 Å²	13	55.8 Å²	55.8	6%	0.057	28%	0.275	C	S	.	.			trans	-99.9	101.4	-176.2	-54.8	-69.3	0	0	0	109.9	P92 S93 N98 E101 I102 I105 L139 E142	P92-F96 CarbonylContact C-O 3.51Å; P92-F96 VanDerWaalsContact CA-O 3.3Å; P92-F96 WeakPolarHBondContact CA-O 3.37Å; S93-F96 PolarHBondContact N-O 3.21Å; S93-F96 PolarHBondContact OG-N 2.91Å; F96-N98 VanDerWaalsContact C-N 3.33Å; F96-N98 PolarHBondContact O-N 3.48Å; F96-E101 WeakPolarHBondContact CA-OE2 3.31Å; F96-E101 HydrophobicContact CB-CB 4.45Å; F96-I102 HydrophobicContact CB-CD1 4.27Å; F96-I102 HydrophobicContact CB-CG1 3.66Å; F96-I102 HydrophobicContact CG-CG1 4.25Å; F96-I105 HydrophobicContact CD1-CG1 4.27Å; F96-I105 HydrophobicContact CE1-CD1 4.17Å; F96-I105 HydrophobicContact CE1-CG1 3.72Å; F96-I105 HydrophobicContact CZ-CG1 4.4Å; F96-L139 HydrophobicContact CD2-CD1 3.86Å; F96-L139 HydrophobicContact CE2-CB 4.33Å; F96-L139 HydrophobicContact CE2-CD1 3.9Å; F96-E142 HydrophobicContact CD2-CB 4.01Å; F96-E142 HydrophobicContact CD2-CG 4.04Å; F96-E142 HydrophobicContact CE2-CB 3.98Å; F96-E142 HydrophobicContact CE2-CG 3.76Å
97	K	94.2	Very high	95.2	Very high	156 Å²	156	61.3 Å²	61.3	68%	0.678	30%	0.301	S	S	*	.			trans	-78.3	-16.7	-162	-64.7	179	-177.9	174.5	0	114.6	E101	K97-E101 PolarHBondContact N-OE2 3.35Å
98	N	94.2	Very high	95.1	Very high	62 Å²	62	66.2 Å²	66.2	33%	0.332	32%	0.322	S	S	.	.	S	Bend	trans	-152.4	164	-176.2	54.5	66.6	0	0	0	109.9	F96 D100 E101 I102	F96-N98 VanDerWaalsContact C-N 3.33Å; F96-N98 PolarHBondContact O-N 3.48Å; N98-D100 PolarHBondContact O-N 3.25Å; N98-D100 WeakPolarHBondContact OD1-CB 3.28Å; N98-D100 PolarHBondContact OD1-N 3.34Å; N98-E101 PolarHBondContact ND2-OE1 2.96Å; N98-E101 VanDerWaalsContact ND2-OE1 3.13Å; N98-E101 PolarHBondContact O-N 3.48Å; N98-E101 WeakPolarHBondContact OD1-CG 3.49Å; N98-E101 PolarHBondContact OD1-N 3.35Å; N98-I102 PolarHBondContact O-N 3.24Å
99	S	92.9	Very high	94.8	Very high	54 Å²	54	67 Å²	67	38%	0.378	33%	0.326	S	S	.	.	H	α-helix	trans	-66	-24.3	-177.9	-49.1	0	0	0	0	113.2	I102 T103	S99-I102 PolarHBondContact O-N 3.5Å; S99-T103 WeakPolarHBondContact O-CB 3.41Å; S99-T103 PolarHBondContact O-N 2.89Å; S99-T103 PolarHBondContact O-OG1 3.32Å
100	D	94.7	Very high	94.4	Very high	114 Å²	114	67.8 Å²	67.8	61%	0.61	34%	0.335	S	S	*	.	H	α-helix	trans	-67.8	-42.2	176.5	-65.3	-17.5	0	0	0	111.1	N98 I102 T103 Q104	N98-D100 PolarHBondContact O-N 3.25Å; N98-D100 WeakPolarHBondContact OD1-CB 3.28Å; N98-D100 PolarHBondContact OD1-N 3.34Å; D100-I102 VanDerWaalsContact C-N 3.32Å; D100-I102 PolarHBondContact O-N 2.84Å; D100-T103 PolarHBondContact O-N 3.39Å; D100-Q104 WeakPolarHBondContact O-CB 3.29Å; D100-Q104 WeakPolarHBondContact O-CG 3.31Å; D100-Q104 PolarHBondContact O-N 3.39Å
101	E	95	Very high	94.2	Very high	59 Å²	59	67 Å²	67	28%	0.276	33%	0.333	S	S	.	.	H	α-helix	trans	-60.5	-41.5	174.8	-76.2	173.8	-153.4	0	0	111.5	F96 K97 N98 Q104 I105	F96-E101 WeakPolarHBondContact CA-OE2 3.31Å; F96-E101 HydrophobicContact CB-CB 4.45Å; K97-E101 PolarHBondContact N-OE2 3.35Å; N98-E101 PolarHBondContact ND2-OE1 2.96Å; N98-E101 VanDerWaalsContact ND2-OE1 3.13Å; N98-E101 PolarHBondContact O-N 3.48Å; N98-E101 WeakPolarHBondContact OD1-CG 3.49Å; N98-E101 PolarHBondContact OD1-N 3.35Å; E101-Q104 PolarHBondContact O-N 3.21Å; E101-I105 WeakPolarHBondContact O-CG1 3.42Å; E101-I105 PolarHBondContact O-N 2.89Å; E101-I105 VanDerWaalsContact O-N 3.08Å
102	I	94.8	Very high	94	Very high	5 Å²	5	72.4 Å²	72.4	3%	0.026	36%	0.36	C	S	.	.	H	α-helix	trans	-64.6	-47.7	176.9	-63.6	177	0	0	0	110.4	F90 T91 F96 N98 S99 D100 Q104 I105 M106 L139	F90-I102 HydrophobicContact CB-CG2 4.48Å; F90-I102 WeakPolarHBondContact O-CD1 3.46Å; T91-I102 VanDerWaalsContact C-CD1 3.44Å; T91-I102 VanDerWaalsContact O-CD1 3.28Å; T91-I102 WeakPolarHBondContact O-CD1 3.4Å; F96-I102 HydrophobicContact CB-CD1 4.27Å; F96-I102 HydrophobicContact CB-CG1 3.66Å; F96-I102 HydrophobicContact CG-CG1 4.25Å; N98-I102 PolarHBondContact O-N 3.24Å; S99-I102 PolarHBondContact O-N 3.5Å; D100-I102 VanDerWaalsContact C-N 3.32Å; D100-I102 PolarHBondContact O-N 2.84Å; I102-Q104 VanDerWaalsContact C-N 3.33Å; I102-Q104 PolarHBondContact O-N 2.96Å; I102-I105 PolarHBondContact O-N 3.09Å; I102-M106 HydrophobicContact CG2-SD 4Å; I102-M106 WeakPolarHBondContact O-CG 3.41Å; I102-M106 PolarHBondContact O-N 2.83Å; I102-L139 HydrophobicContact CG1-CD1 4.18Å; I102-L139 HydrophobicContact CG2-CD1 3.92Å; I102-L139 HydrophobicContact CG2-CD2 4.19Å
103	T	94.5	Very high	93.9	Very high	61 Å²	61	72.9 Å²	72.9	37%	0.374	36%	0.363	S	S	.	.	H	α-helix	trans	-60.7	-42.3	178.3	-56.3	0	0	0	0	111.2	S99 D100 I105 M106 E107	S99-T103 WeakPolarHBondContact O-CB 3.41Å; S99-T103 PolarHBondContact O-N 2.89Å; S99-T103 PolarHBondContact O-OG1 3.32Å; D100-T103 PolarHBondContact O-N 3.39Å; T103-I105 PolarHBondContact O-N 3.04Å; T103-M106 WeakPolarHBondContact O-CB 3.45Å; T103-M106 PolarHBondContact O-N 2.91Å; T103-E107 HydrophobicContact CG2-CG 4.26Å; T103-E107 WeakPolarHBondContact O-CG 3.15Å; T103-E107 PolarHBondContact O-N 3.12Å
104	Q	94.6	Very high	93.8	Very high	126 Å²	126	76.6 Å²	76.6	59%	0.589	38%	0.383	S	S	*	.	H	α-helix	trans	-61.6	-41.4	175.9	-75.8	172.8	19.6	0	0	112.3	D100 E101 I102 M106 K108	D100-Q104 WeakPolarHBondContact O-CB 3.29Å; D100-Q104 WeakPolarHBondContact O-CG 3.31Å; D100-Q104 PolarHBondContact O-N 3.39Å; E101-Q104 PolarHBondContact O-N 3.21Å; I102-Q104 VanDerWaalsContact C-N 3.33Å; I102-Q104 PolarHBondContact O-N 2.96Å; Q104-M106 VanDerWaalsContact C-N 3.34Å; Q104-K108 WeakPolarHBondContact O-CB 3.39Å; Q104-K108 PolarHBondContact O-N 2.86Å
105	I	93.4	Very high	93.9	Very high	41 Å²	41	69 Å²	69	21%	0.21	35%	0.351	C	S	.	.	H	α-helix	trans	-63	-43.6	174.7	-68	-67.1	0	0	0	110.4	F96 E101 I102 T103 N109 L139	F96-I105 HydrophobicContact CD1-CG1 4.27Å; F96-I105 HydrophobicContact CE1-CD1 4.17Å; F96-I105 HydrophobicContact CE1-CG1 3.72Å; F96-I105 HydrophobicContact CZ-CG1 4.4Å; E101-I105 WeakPolarHBondContact O-CG1 3.42Å; E101-I105 PolarHBondContact O-N 2.89Å; E101-I105 VanDerWaalsContact O-N 3.08Å; I102-I105 PolarHBondContact O-N 3.09Å; T103-I105 PolarHBondContact O-N 3.04Å; I105-N109 WeakPolarHBondContact O-CB 3.47Å; I105-N109 PolarHBondContact O-N 3.27Å; I105-N109 PolarHBondContact O-ND2 3.3Å; I105-L139 HydrophobicContact CG2-CD2 4.31Å
106	M	93.6	Very high	93.8	Very high	45 Å²	45	68.6 Å²	68.6	22%	0.222	35%	0.35	C	S	.	.	H	α-helix	trans	-62.5	-52.9	178.3	-69.9	170.9	54.5	0	0	111.9	I102 T103 Q104 N109 G110 A111 V113 L139	I102-M106 HydrophobicContact CG2-SD 4Å; I102-M106 WeakPolarHBondContact O-CG 3.41Å; I102-M106 PolarHBondContact O-N 2.83Å; T103-M106 WeakPolarHBondContact O-CB 3.45Å; T103-M106 PolarHBondContact O-N 2.91Å; Q104-M106 VanDerWaalsContact C-N 3.34Å; M106-N109 CarbonylContact O-C 3.54Å; M106-N109 PolarHBondContact O-N 3.45Å; M106-G110 PolarHBondContact O-N 3.05Å; M106-A111 PolarHBondContact O-N 2.83Å; M106-V113 HydrophobicContact CE-CG2 3.65Å; M106-V113 HydrophobicContact CG-CG1 4.17Å; M106-V113 HydrophobicContact SD-CG1 4.34Å; M106-V113 HydrophobicContact SD-CG2 3.61Å; M106-L139 HydrophobicContact CG-CD2 3.96Å
107	E	93.5	Very high	93.9	Very high	149 Å²	149	68.2 Å²	68.2	70%	0.696	35%	0.349	S	S	*	.	H	α-helix	trans	-64	-44.6	-178.5	-71.5	-173.5	171	0	0	112.3	T103 N109 G110	T103-E107 HydrophobicContact CG2-CG 4.26Å; T103-E107 WeakPolarHBondContact O-CG 3.15Å; T103-E107 PolarHBondContact O-N 3.12Å; E107-N109 PolarHBondContact O-N 3.45Å; E107-G110 PolarHBondContact O-N 3.3Å; E107-G110 VanDerWaalsContact O-N 3.11Å
108	K	94.5	Very high	94	Very high	172 Å²	172	62.5 Å²	62.5	75%	0.748	33%	0.327	S	S	*	.	H	α-helix	trans	-57.5	-35.8	177.4	-180	179.8	176.6	-176.3	0	112	Q104	Q104-K108 WeakPolarHBondContact O-CB 3.39Å; Q104-K108 PolarHBondContact O-N 2.86Å
109	N	91.5	Very high	94	Very high	18 Å²	18	60.1 Å²	60.1	10%	0.096	31%	0.313	C	S	.	.	H	α-helix	trans	-95	-5.4	-178	-72.5	-67.1	0	0	0	113.5	I105 M106 E107 A111 S132 V136	I105-N109 WeakPolarHBondContact O-CB 3.47Å; I105-N109 PolarHBondContact O-N 3.27Å; I105-N109 PolarHBondContact O-ND2 3.3Å; M106-N109 CarbonylContact O-C 3.54Å; M106-N109 PolarHBondContact O-N 3.45Å; E107-N109 PolarHBondContact O-N 3.45Å; N109-A111 HydrophobicContact CB-CB 4.27Å; N109-A111 PolarHBondContact O-N 2.86Å; N109-S132 WeakPolarHBondContact OD1-CB 3.45Å; N109-S132 PolarHBondContact OD1-OG 3.03Å; N109-V136 HydrophobicContact CB-CG2 3.99Å
110	G	90	Very high	94.1	Very high	30 Å²	30	59 Å²	59	31%	0.309	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	37.4	-170.5	0	0	0	0	0	112.1	M106 E107	M106-G110 PolarHBondContact O-N 3.05Å; E107-G110 PolarHBondContact O-N 3.3Å; E107-G110 VanDerWaalsContact O-N 3.11Å
111	A	91.9	Very high	94.1	Very high	8 Å²	8	54 Å²	54	7%	0.066	28%	0.277	C	S	.	.			trans	-93.7	133.2	-177	0	0	0	0	0	110.7	M106 N109 S127 C128 V136	M106-A111 PolarHBondContact O-N 2.83Å; N109-A111 HydrophobicContact CB-CB 4.27Å; N109-A111 PolarHBondContact O-N 2.86Å; A111-S127 WeakPolarHBondContact CA-O 3.47Å; A111-C128 HydrophobicContact CB-CB 3.76Å; A111-V136 HydrophobicContact CB-CG1 4.23Å; A111-V136 HydrophobicContact CB-CG2 3.54Å
112	I	92.1	Very high	94.1	Very high	128 Å²	128	51.1 Å²	51.1	66%	0.656	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.5	115.9	168.7	-59.4	169.3	0	0	0	105.7	S126 S127	I112-S126 CarbonylContact O-C 3.57Å; I112-S126 WeakPolarHBondContact O-CA 3.4Å; I112-S126 WeakPolarHBondContact O-CB 3.04Å; I112-S126 PolarHBondContact O-OG 2.89Å; I112-S127 PolarHBondContact N-O 3.37Å; I112-S127 PolarHBondContact O-N 2.79Å
113	V	93.6	Very high	94.1	Very high	22 Å²	22	51.6 Å²	51.6	13%	0.133	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	146.9	178.6	-53	0	0	0	0	109.6	F90 M106 A125 L139	F90-V113 HydrophobicContact CB-CG2 4.27Å; F90-V113 HydrophobicContact CD1-CB 4.2Å; F90-V113 HydrophobicContact CD1-CG2 3.95Å; F90-V113 HydrophobicContact CD2-CB 4.13Å; F90-V113 HydrophobicContact CD2-CG2 3.63Å; F90-V113 HydrophobicContact CE1-CB 3.9Å; F90-V113 HydrophobicContact CE1-CG1 4.2Å; F90-V113 HydrophobicContact CE1-CG2 4.17Å; F90-V113 HydrophobicContact CE2-CB 3.83Å; F90-V113 HydrophobicContact CE2-CG2 3.87Å; F90-V113 HydrophobicContact CG-CB 4.3Å; F90-V113 HydrophobicContact CG-CG2 3.67Å; F90-V113 HydrophobicContact CZ-CB 3.71Å; F90-V113 HydrophobicContact CZ-CG1 4.42Å; F90-V113 HydrophobicContact CZ-CG2 4.13Å; M106-V113 HydrophobicContact CE-CG2 3.65Å; M106-V113 HydrophobicContact CG-CG1 4.17Å; M106-V113 HydrophobicContact SD-CG1 4.34Å; M106-V113 HydrophobicContact SD-CG2 3.61Å; V113-A125 CarbonylContact C-O 3.47Å; V113-A125 WeakPolarHBondContact CA-O 3.32Å; V113-L139 HydrophobicContact CG1-CD2 4.13Å
114	D	94.1	Very high	94.2	Very high	82 Å²	82	48.8 Å²	48.8	44%	0.439	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	150.3	175	-171	32.4	0	0	0	110.2	Q116 A125	D114-Q116 WeakPolarHBondContact OD2-CG 3.44Å; D114-Q116 PolarHBondContact OD2-NE2 3.13Å; D114-A125 PolarHBondContact N-O 3.43Å; D114-A125 PolarHBondContact O-N 2.88Å
115	C	96.6	Very high	94.2	Very high	6 Å²	6	43.7 Å²	43.7	4%	0.041	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	135.3	171.7	-173.8	0	0	0	0	109.7	E86 A89 F90 I123 Y124	E86-C115 HydrophobicContact CG-CB 4.33Å; E86-C115 WeakPolarHBondContact CG-O 3.04Å; A89-C115 HydrophobicContact CB-CB 3.21Å; F90-C115 HydrophobicContact CE2-CB 4.11Å; C115-I123 CarbonylContact C-O 2.64Å; C115-I123 WeakPolarHBondContact CA-O 3.22Å; C115-Y124 HydrophobicContact CB-CD1 4.27Å; C115-Y124 HydrophobicContact CB-CE1 4.4Å
116	Q	95.8	Very high	94.1	Very high	89 Å²	89	41.9 Å²	41.9	42%	0.416	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	138.8	177.8	-60.5	-176.6	17.9	0	0	110.7	E86 D114 L122 I123	E86-Q116 WeakPolarHBondContact OE2-CA 3.34Å; D114-Q116 WeakPolarHBondContact OD2-CG 3.44Å; D114-Q116 PolarHBondContact OD2-NE2 3.13Å; Q116-L122 WeakPolarHBondContact O-CA 3.27Å; Q116-I123 PolarHBondContact N-O 3.31Å; Q116-I123 PolarHBondContact O-N 3.5Å
117	H	97	Very high	93.9	Very high	6 Å²	6	41.6 Å²	41.6	3%	0.028	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	142.1	169	77.4	-73	0	0	0	111.9	H83 E86 S121 L122 K196	H83-H117 AromaticContact CD2-CE1 3.64Å; H83-H117 AromaticContact CG-CE1 3.86Å; E86-H117 IonicContact OE2-CE1 2.95Å; E86-H117 PolarHBondContact OE2-CE1 3.48Å; E86-H117 IonicContact OE2-CG 3.13Å; E86-H117 PolarHBondContact OE2-N 2.91Å; E86-H117 IonicContact OE2-ND1 3.54Å; E86-H117 PolarHBondContact OE2-ND1 3.35Å; H117-S121 CarbonylContact C-O 3.53Å; H117-S121 WeakPolarHBondContact CA-O 3.27Å; H117-L122 HydrophobicContact CB-CD2 4.29Å; H117-L122 HydrophobicContact CB-CG 3.98Å; H117-K196 PolarHBondContact NE2-O 2.88Å; H117-K196 VanDerWaalsContact NE2-O 3.12Å; H117-K196 VanDerWaalsContact O-CE 3.24Å; H117-K196 WeakPolarHBondContact O-CE 3.5Å
118	T	95.6	Very high	93.6	Very high	36 Å²	36	34.5 Å²	34.5	22%	0.221	19%	0.188	C	C	.	.			trans	-115	-166.8	168.2	74.2	0	0	0	0	109.4	D120 S121	T118-D120 PolarHBondContact OG1-N 3.02Å; T118-D120 VanDerWaalsContact OG1-N 3.08Å; T118-D120 PolarHBondContact OG1-OD1 2.96Å; T118-S121 PolarHBondContact N-O 3.4Å; T118-S121 PolarHBondContact OG1-N 3.1Å; T118-S121 PolarHBondContact OG1-O 2.83Å
119	K	95.4	Very high	93.2	Very high	11 Å²	11	31.8 Å²	31.8	5%	0.048	17%	0.173	C	C	.	.	S	Bend	trans	-69.2	-25.6	170.1	-72.5	-178.9	175.8	-76.6	0	112.1	G70 S71 R72 D180 H183 L192 L194	G70-K119 CarbonylContact C-O 3.6Å; S71-K119 PolarHBondContact N-O 3.35Å; S71-K119 WeakPolarHBondContact OG-CA 3.47Å; R72-K119 WeakPolarHBondContact CB-O 3.18Å; R72-K119 WeakPolarHBondContact CG-O 3.42Å; R72-K119 PolarHBondContact N-O 3.44Å; K119-D180 WeakPolarHBondContact CE-OD1 2.98Å; K119-D180 IonicContact NZ-OD1 3.97Å; K119-D180 PolarHBondContact NZ-OD1 2.86Å; K119-H183 HydrophobicContact CD-CB 4.47Å; K119-L192 HydrophobicContact CB-CD2 4.08Å; K119-L192 HydrophobicContact CD-CD2 4.35Å; K119-L192 VanDerWaalsContact CD-O 3.31Å; K119-L192 WeakPolarHBondContact CD-O 3.23Å; K119-L192 VanDerWaalsContact CE-O 3.27Å; K119-L192 WeakPolarHBondContact CE-O 3.31Å; K119-L192 PolarHBondContact NZ-O 3.39Å; K119-L194 PolarHBondContact NZ-O 2.78Å
120	D	93.7	Very high	92.9	Very high	30 Å²	30	33.4 Å²	33.4	16%	0.16	19%	0.189	C	C	.	.	S	Bend	trans	-136.9	3.7	-167.3	58.8	-11.3	0	0	0	115	N68 A69 R72 T118 Y334	N68-D120 PolarHBondContact OD1-O 2.73Å; A69-D120 CarbonylContact O-C 3.53Å; R72-D120 HydrophobicContact CG-CB 4.47Å; T118-D120 PolarHBondContact OG1-N 3.02Å; T118-D120 VanDerWaalsContact OG1-N 3.08Å; T118-D120 PolarHBondContact OG1-OD1 2.96Å; D120-Y334 WeakPolarHBondContact OD2-CD1 3.48Å
121	S	94	Very high	92.8	Very high	9 Å²	9	37 Å²	37	6%	0.063	21%	0.21	C	C	.	.			trans	-144.5	148	173.2	-63.4	0	0	0	0	113.5	V67 A69 H117 T118 L404	V67-S121 WeakPolarHBondContact O-CA 3.35Å; A69-S121 CarbonylContact O-C 3.21Å; A69-S121 WeakPolarHBondContact O-CA 3.42Å; A69-S121 PolarHBondContact O-N 2.8Å; H117-S121 CarbonylContact C-O 3.53Å; H117-S121 WeakPolarHBondContact CA-O 3.27Å; T118-S121 PolarHBondContact N-O 3.4Å; T118-S121 PolarHBondContact OG1-N 3.1Å; T118-S121 PolarHBondContact OG1-O 2.83Å; S121-L404 WeakPolarHBondContact OG-CD1 3.41Å
122	L	96.3	Very high	92.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	123.9	155.6	-77.9	96	0	0	0	109.1	V66 V67 A69 L85 Q116 H117 Y124 Y219	V66-L122 CarbonylContact C-O 3.13Å; V66-L122 WeakPolarHBondContact CA-O 3.37Å; V67-L122 HydrophobicContact CB-CB 4.5Å; V67-L122 PolarHBondContact N-O 2.8Å; V67-L122 PolarHBondContact O-N 3.45Å; A69-L122 HydrophobicContact CB-CD1 3.6Å; A69-L122 PolarHBondContact O-N 3Å; L85-L122 HydrophobicContact CB-CD2 3.81Å; L85-L122 HydrophobicContact CD1-CD2 4.49Å; Q116-L122 WeakPolarHBondContact O-CA 3.27Å; H117-L122 HydrophobicContact CB-CD2 4.29Å; H117-L122 HydrophobicContact CB-CG 3.98Å; L122-Y124 HydrophobicContact CB-CE2 3.97Å; L122-Y219 WeakPolarHBondContact CD2-OH 2.74Å
123	I	95.3	Very high	92.4	Very high	14 Å²	14	32.2 Å²	32.2	7%	0.072	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	111.6	-171.3	-57.1	172.7	0	0	0	107.8	V66 C115 Q116 A125 F396 E397	V66-I123 HydrophobicContact CG1-CG1 4Å; V66-I123 HydrophobicContact CG2-CB 4.4Å; V66-I123 HydrophobicContact CG2-CG1 4.14Å; V66-I123 HydrophobicContact CG2-CG2 4.1Å; C115-I123 CarbonylContact C-O 2.64Å; C115-I123 WeakPolarHBondContact CA-O 3.22Å; Q116-I123 PolarHBondContact N-O 3.31Å; Q116-I123 PolarHBondContact O-N 3.5Å; I123-A125 HydrophobicContact CG2-CB 4.19Å; I123-F396 HydrophobicContact CG2-CE1 3.99Å; I123-E397 HydrophobicContact CD1-CG 3.92Å
124	Y	96	Very high	92.2	Very high	3 Å²	3	39.4 Å²	39.4	1%	0.012	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	107.1	172.3	-66.5	-106.7	0	0	0	107.5	G64 A65 A89 F90 C115 L122 S143 L144 Y219	G64-Y124 CarbonylContact C-O 2.88Å; G64-Y124 WeakPolarHBondContact CA-O 3.12Å; A65-Y124 PolarHBondContact N-O 2.94Å; A65-Y124 PolarHBondContact O-N 3.03Å; A89-Y124 HydrophobicContact CB-CD1 3.99Å; A89-Y124 HydrophobicContact CB-CE1 3.45Å; A89-Y124 VanDerWaalsContact CB-CE1 3.45Å; F90-Y124 HydrophobicContact CE2-CD1 4.3Å; F90-Y124 HydrophobicContact CZ-CD1 4.15Å; C115-Y124 HydrophobicContact CB-CD1 4.27Å; C115-Y124 HydrophobicContact CB-CE1 4.4Å; L122-Y124 HydrophobicContact CB-CE2 3.97Å; Y124-S143 WeakPolarHBondContact CE1-OG 3.5Å; Y124-L144 HydrophobicContact CD1-CD2 4.29Å; Y124-L144 HydrophobicContact CD1-CG 4.48Å; Y124-L144 HydrophobicContact CD2-CD2 3.4Å; Y124-L144 VanDerWaalsContact CD2-CD2 3.4Å; Y124-L144 HydrophobicContact CD2-CG 4.26Å; Y124-L144 HydrophobicContact CE1-CD2 4.27Å; Y124-L144 HydrophobicContact CE2-CD2 3.38Å; Y124-L144 HydrophobicContact CE2-CG 4.48Å; Y124-L144 HydrophobicContact CG-CD2 3.89Å; Y124-L144 HydrophobicContact CG-CG 4.26Å; Y124-Y219 HydrophobicContact CE2-CE1 4.28Å; Y124-Y219 PolarHBondContact OH-OH 3.47Å
125	A	93.4	Very high	92.1	Very high	18 Å²	18	37 Å²	37	15%	0.149	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	157.3	-172.4	0	0	0	0	0	112.1	I63 V113 D114 I123 F396	I63-A125 CarbonylContact O-C 3.41Å; I63-A125 WeakPolarHBondContact O-CA 3.39Å; V113-A125 CarbonylContact C-O 3.47Å; V113-A125 WeakPolarHBondContact CA-O 3.32Å; D114-A125 PolarHBondContact N-O 3.43Å; D114-A125 PolarHBondContact O-N 2.88Å; I123-A125 HydrophobicContact CG2-CB 4.19Å; A125-F396 HydrophobicContact CB-CD1 4.2Å; A125-F396 HydrophobicContact CB-CE1 3.97Å
126	S	92.1	Very high	91.8	Very high	3 Å²	3	36.8 Å²	36.8	2%	0.021	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	142.7	173.7	-171.8	0	0	0	0	112.2	T62 I63 I112 V136	T62-S126 CarbonylContact C-O 3.52Å; T62-S126 VanDerWaalsContact CA-O 3.26Å; T62-S126 WeakPolarHBondContact CA-O 3.26Å; I63-S126 PolarHBondContact N-O 3.32Å; I63-S126 PolarHBondContact O-N 3.1Å; I112-S126 CarbonylContact O-C 3.57Å; I112-S126 WeakPolarHBondContact O-CA 3.4Å; I112-S126 WeakPolarHBondContact O-CB 3.04Å; I112-S126 PolarHBondContact O-OG 2.89Å; S126-V136 VanDerWaalsContact CB-CG1 3.45Å; S126-V136 WeakPolarHBondContact OG-CG1 3.4Å
127	S	89.8	Confident	91.6	Very high	40 Å²	40	35.8 Å²	35.8	28%	0.28	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	122.1	161.4	-63.6	0	0	0	0	109.3	C61 T62 A111 I112	C61-S127 WeakPolarHBondContact O-CA 3.23Å; T62-S127 PolarHBondContact OG1-OG 3.29Å; A111-S127 WeakPolarHBondContact CA-O 3.47Å; I112-S127 PolarHBondContact N-O 3.37Å; I112-S127 PolarHBondContact O-N 2.79Å
128	C	87.8	Confident	91.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	173	-177.9	67.3	0	0	0	0	111.5	F60 C61 A111 V136	F60-C128 WeakPolarHBondContact CA-O 3.37Å; F60-C128 WeakPolarHBondContact CD1-O 3.38Å; C61-C128 PolarHBondContact N-O 3.4Å; C61-C128 PolarHBondContact O-N 3.07Å; A111-C128 HydrophobicContact CB-CB 3.76Å; C128-V136 HydrophobicContact CB-CG2 3.97Å
129	R	86.4	Confident	91.4	Very high	115 Å²	115	38 Å²	38	43%	0.434	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	144.6	169.4	-67.6	-176.1	175	93.4	-2	110.3	E59 F60 S131 S132 A133	E59-R129 CarbonylContact O-C 3.16Å; E59-R129 WeakPolarHBondContact O-CA 3.45Å; F60-R129 HydrophobicContact CE1-CG 4.16Å; F60-R129 HydrophobicContact CE2-CG 4.25Å; F60-R129 HydrophobicContact CZ-CG 3.96Å; R129-S131 PolarHBondContact O-N 3.2Å; R129-S132 WeakPolarHBondContact O-CA 3.23Å; R129-S132 WeakPolarHBondContact O-CB 3.39Å; R129-S132 PolarHBondContact O-N 3.24Å; R129-A133 PolarHBondContact O-N 2.78Å
130	A	84.5	Confident	91.3	Very high	51 Å²	51	37.5 Å²	37.5	42%	0.421	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-58.6	-38.6	175.7	0	0	0	0	0	111.6	E59 S132 A133	E59-A130 PolarHBondContact O-N 2.95Å; A130-S132 PolarHBondContact O-N 3.02Å; A130-A133 WeakPolarHBondContact O-CB 3.15Å; A130-A133 PolarHBondContact O-N 3.16Å
131	S	86.6	Confident	91.3	Very high	106 Å²	106	37.8 Å²	37.8	74%	0.741	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-66.5	-15.1	174.8	55.6	0	0	0	0	114.6	R129	R129-S131 PolarHBondContact O-N 3.2Å
132	S	89.7	Confident	91.4	Very high	12 Å²	12	38.5 Å²	38.5	8%	0.084	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-102.5	-1.5	178.7	-70.8	0	0	0	0	113.4	N109 R129 A130 E134 A135 V136	N109-S132 WeakPolarHBondContact OD1-CB 3.45Å; N109-S132 PolarHBondContact OD1-OG 3.03Å; R129-S132 WeakPolarHBondContact O-CA 3.23Å; R129-S132 WeakPolarHBondContact O-CB 3.39Å; R129-S132 PolarHBondContact O-N 3.24Å; A130-S132 PolarHBondContact O-N 3.02Å; S132-E134 VanDerWaalsContact C-N 3.29Å; S132-E134 PolarHBondContact O-N 3.31Å; S132-A135 PolarHBondContact O-N 3.13Å; S132-V136 WeakPolarHBondContact O-CG2 3.43Å; S132-V136 PolarHBondContact O-N 3.31Å; S132-V136 VanDerWaalsContact O-N 3.15Å
133	A	87.3	Confident	91.3	Very high	24 Å²	24	38.8 Å²	38.8	20%	0.198	23%	0.225	C	C	.	.	H	α-helix	trans	-57.2	-40.3	-172	0	0	0	0	0	112.7	I63 R129 A130 V136 L137	I63-A133 HydrophobicContact CD1-CB 4.23Å; I63-A133 VanDerWaalsContact CD1-O 3.22Å; I63-A133 WeakPolarHBondContact CD1-O 3.46Å; I63-A133 HydrophobicContact CG2-CB 4.41Å; R129-A133 PolarHBondContact O-N 2.78Å; A130-A133 WeakPolarHBondContact O-CB 3.15Å; A130-A133 PolarHBondContact O-N 3.16Å; A133-V136 PolarHBondContact O-N 3.49Å; A133-L137 WeakPolarHBondContact O-CB 3.23Å; A133-L137 PolarHBondContact O-N 2.98Å
134	E	88.5	Confident	91.2	Very high	172 Å²	172	38.2 Å²	38.2	80%	0.804	22%	0.222	S	C	*	.	H	α-helix	trans	-61.4	-49.3	179.5	-174.4	178.9	178.3	0	0	112.3	S132 V136 L137 E138	S132-E134 VanDerWaalsContact C-N 3.29Å; S132-E134 PolarHBondContact O-N 3.31Å; E134-V136 VanDerWaalsContact C-N 3.32Å; E134-V136 PolarHBondContact O-N 3.09Å; E134-L137 PolarHBondContact O-N 3.34Å; E134-E138 PolarHBondContact O-N 3.37Å
135	A	91.4	Very high	91.1	Very high	33 Å²	33	42.4 Å²	42.4	27%	0.273	24%	0.24	S	C	.	.	H	α-helix	trans	-65	-36.6	-179.8	0	0	0	0	0	112.4	S132 L139	S132-A135 PolarHBondContact O-N 3.13Å; A135-L139 PolarHBondContact O-N 2.93Å
136	V	91.5	Very high	91.2	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.006	25%	0.253	C	S	.	.	H	α-helix	trans	-76.8	-35.2	179.5	176.3	0	0	0	0	111.3	I63 N109 A111 S126 C128 S132 A133 E134 E138 L139 I140	I63-V136 HydrophobicContact CD1-CB 3.91Å; I63-V136 HydrophobicContact CD1-CG1 3.87Å; I63-V136 HydrophobicContact CG1-CG1 4.34Å; N109-V136 HydrophobicContact CB-CG2 3.99Å; A111-V136 HydrophobicContact CB-CG1 4.23Å; A111-V136 HydrophobicContact CB-CG2 3.54Å; S126-V136 VanDerWaalsContact CB-CG1 3.45Å; S126-V136 WeakPolarHBondContact OG-CG1 3.4Å; C128-V136 HydrophobicContact CB-CG2 3.97Å; S132-V136 WeakPolarHBondContact O-CG2 3.43Å; S132-V136 PolarHBondContact O-N 3.31Å; S132-V136 VanDerWaalsContact O-N 3.15Å; A133-V136 PolarHBondContact O-N 3.49Å; E134-V136 VanDerWaalsContact C-N 3.32Å; E134-V136 PolarHBondContact O-N 3.09Å; V136-E138 VanDerWaalsContact C-N 3.29Å; V136-E138 PolarHBondContact O-N 2.94Å; V136-L139 WeakPolarHBondContact O-CB 3.26Å; V136-L139 PolarHBondContact O-N 2.78Å; V136-I140 HydrophobicContact CG1-CD1 4.28Å; V136-I140 WeakPolarHBondContact O-CG1 3.36Å; V136-I140 PolarHBondContact O-N 3.14Å
137	L	91.2	Very high	91.4	Very high	68 Å²	68	46.4 Å²	46.4	36%	0.356	26%	0.256	S	S	.	.	H	α-helix	trans	-63.9	-36.8	173.1	-173.8	61.7	0	0	0	111.4	I63 A133 E134 L139 I140 A141 V226	I63-L137 HydrophobicContact CD1-CB 4.03Å; A133-L137 WeakPolarHBondContact O-CB 3.23Å; A133-L137 PolarHBondContact O-N 2.98Å; E134-L137 PolarHBondContact O-N 3.34Å; L137-L139 VanDerWaalsContact C-N 3.35Å; L137-I140 PolarHBondContact O-N 3Å; L137-A141 WeakPolarHBondContact O-CB 3.4Å; L137-A141 PolarHBondContact O-N 2.96Å; L137-V226 HydrophobicContact CD1-CG1 4.43Å
138	E	93.5	Very high	91.7	Very high	85 Å²	85	48.5 Å²	48.5	40%	0.397	26%	0.264	S	S	.	.	H	α-helix	trans	-62.8	-40.7	173.2	-172.2	175.9	-138.8	0	0	112.1	K95 E134 V136 I140 A141 E142	K95-E138 IonicContact NZ-OE1 2.59Å; K95-E138 PolarHBondContact NZ-OE1 3.49Å; K95-E138 IonicContact NZ-OE2 2.67Å; K95-E138 PolarHBondContact NZ-OE2 3.47Å; E134-E138 PolarHBondContact O-N 3.37Å; V136-E138 VanDerWaalsContact C-N 3.29Å; V136-E138 PolarHBondContact O-N 2.94Å; E138-I140 PolarHBondContact O-N 3.47Å; E138-A141 PolarHBondContact O-N 3.14Å; E138-E142 WeakPolarHBondContact O-CB 3.39Å; E138-E142 WeakPolarHBondContact O-CG 3.39Å; E138-E142 PolarHBondContact O-N 3.39Å
139	L	94.7	Very high	92.1	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-61	-43.2	173.4	175.8	62.3	0	0	0	112	F90 F96 I102 I105 M106 V113 A135 V136 L137 E142 S143	F90-L139 HydrophobicContact CD1-CD1 4.49Å; F90-L139 HydrophobicContact CD1-CD2 4.34Å; F90-L139 HydrophobicContact CD1-CG 4.06Å; F90-L139 HydrophobicContact CE1-CG 4.43Å; F96-L139 HydrophobicContact CD2-CD1 3.86Å; F96-L139 HydrophobicContact CE2-CB 4.33Å; F96-L139 HydrophobicContact CE2-CD1 3.9Å; I102-L139 HydrophobicContact CG1-CD1 4.18Å; I102-L139 HydrophobicContact CG2-CD1 3.92Å; I102-L139 HydrophobicContact CG2-CD2 4.19Å; I105-L139 HydrophobicContact CG2-CD2 4.31Å; M106-L139 HydrophobicContact CG-CD2 3.96Å; V113-L139 HydrophobicContact CG1-CD2 4.13Å; A135-L139 PolarHBondContact O-N 2.93Å; V136-L139 WeakPolarHBondContact O-CB 3.26Å; V136-L139 PolarHBondContact O-N 2.78Å; L137-L139 VanDerWaalsContact C-N 3.35Å; L139-E142 PolarHBondContact O-N 3.18Å; L139-S143 WeakPolarHBondContact O-CB 3.37Å; L139-S143 PolarHBondContact O-N 3.03Å
140	I	94.3	Very high	92.5	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-62.7	-45.2	175.5	-69.2	157.3	0	0	0	110.7	I63 A65 F90 V136 L137 E138 E142 S143 L144	I63-I140 HydrophobicContact CD1-CD1 4.38Å; I63-I140 HydrophobicContact CG1-CD1 4.32Å; A65-I140 HydrophobicContact CB-CG2 4.09Å; F90-I140 HydrophobicContact CE1-CG1 3.96Å; F90-I140 HydrophobicContact CZ-CG1 4.29Å; V136-I140 HydrophobicContact CG1-CD1 4.28Å; V136-I140 WeakPolarHBondContact O-CG1 3.36Å; V136-I140 PolarHBondContact O-N 3.14Å; L137-I140 PolarHBondContact O-N 3Å; E138-I140 PolarHBondContact O-N 3.47Å; I140-E142 PolarHBondContact O-N 3.21Å; I140-S143 WeakPolarHBondContact O-CB 3.46Å; I140-S143 PolarHBondContact O-N 3.4Å; I140-L144 HydrophobicContact CG2-CD1 3.78Å; I140-L144 WeakPolarHBondContact O-CG 3.46Å; I140-L144 PolarHBondContact O-N 3.08Å
141	A	93.1	Very high	93.1	Very high	36 Å²	36	48.9 Å²	48.9	30%	0.298	27%	0.267	S	S	.	.	H	α-helix	trans	-62.2	-41.8	178.8	0	0	0	0	0	112.3	L137 E138 L144 F145	L137-A141 WeakPolarHBondContact O-CB 3.4Å; L137-A141 PolarHBondContact O-N 2.96Å; E138-A141 PolarHBondContact O-N 3.14Å; A141-L144 PolarHBondContact O-N 3.35Å; A141-F145 HydrophobicContact CB-CD2 4.39Å; A141-F145 VanDerWaalsContact O-CD2 3.3Å; A141-F145 WeakPolarHBondContact O-CD2 3.31Å; A141-F145 PolarHBondContact O-N 3.4Å
142	E	95.3	Very high	93.5	Very high	24 Å²	24	46.8 Å²	46.8	11%	0.112	26%	0.257	C	S	.	.	H	α-helix	trans	-63.3	-41.8	175.6	-81.9	-70.5	133.7	0	0	112.4	S93 K95 F96 E138 L139 I140 L144 H146	S93-E142 VanDerWaalsContact CB-OE2 3.3Å; S93-E142 WeakPolarHBondContact CB-OE2 3.28Å; S93-E142 PolarHBondContact OG-OE2 3.44Å; K95-E142 HydrophobicContact CB-CG 3.88Å; K95-E142 WeakPolarHBondContact CB-OE2 3.44Å; K95-E142 HydrophobicContact CD-CG 4.48Å; K95-E142 PolarHBondContact N-OE2 2.89Å; F96-E142 HydrophobicContact CD2-CB 4.01Å; F96-E142 HydrophobicContact CD2-CG 4.04Å; F96-E142 HydrophobicContact CE2-CB 3.98Å; F96-E142 HydrophobicContact CE2-CG 3.76Å; E138-E142 WeakPolarHBondContact O-CB 3.39Å; E138-E142 WeakPolarHBondContact O-CG 3.39Å; E138-E142 PolarHBondContact O-N 3.39Å; L139-E142 PolarHBondContact O-N 3.18Å; I140-E142 PolarHBondContact O-N 3.21Å; E142-L144 VanDerWaalsContact C-N 3.3Å; E142-L144 PolarHBondContact O-N 3.03Å; E142-H146 CarbonylContact O-C 3.51Å; E142-H146 WeakPolarHBondContact O-CA 3.39Å; E142-H146 PolarHBondContact O-N 3.12Å; E142-H146 IonicContact OE1-CD2 2.63Å; E142-H146 PolarHBondContact OE1-CD2 3.47Å
143	S	95.6	Very high	93.9	Very high	6 Å²	6	48.2 Å²	48.2	4%	0.042	26%	0.262	C	S	.	.	H	α-helix	trans	-61.3	-37.7	175.2	-174.3	0	0	0	0	112.2	F90 Y124 L139 I140	F90-S143 PolarHBondContact N-OG 2.67Å; Y124-S143 WeakPolarHBondContact CE1-OG 3.5Å; L139-S143 WeakPolarHBondContact O-CB 3.37Å; L139-S143 PolarHBondContact O-N 3.03Å; I140-S143 WeakPolarHBondContact O-CB 3.46Å; I140-S143 PolarHBondContact O-N 3.4Å
144	L	93.4	Very high	94.4	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.016	25%	0.253	C	S	.	.	H	α-helix	trans	-78.7	-47.2	-178.6	-74.9	166.2	0	0	0	113.8	A65 V67 Y124 I140 A141 E142 M215 Y219	A65-L144 HydrophobicContact CB-CD1 3.54Å; V67-L144 HydrophobicContact CG2-CD2 3.72Å; Y124-L144 HydrophobicContact CD1-CD2 4.29Å; Y124-L144 HydrophobicContact CD1-CG 4.48Å; Y124-L144 HydrophobicContact CD2-CD2 3.4Å; Y124-L144 VanDerWaalsContact CD2-CD2 3.4Å; Y124-L144 HydrophobicContact CD2-CG 4.26Å; Y124-L144 HydrophobicContact CE1-CD2 4.27Å; Y124-L144 HydrophobicContact CE2-CD2 3.38Å; Y124-L144 HydrophobicContact CE2-CG 4.48Å; Y124-L144 HydrophobicContact CG-CD2 3.89Å; Y124-L144 HydrophobicContact CG-CG 4.26Å; I140-L144 HydrophobicContact CG2-CD1 3.78Å; I140-L144 WeakPolarHBondContact O-CG 3.46Å; I140-L144 PolarHBondContact O-N 3.08Å; A141-L144 PolarHBondContact O-N 3.35Å; E142-L144 VanDerWaalsContact C-N 3.3Å; E142-L144 PolarHBondContact O-N 3.03Å; L144-M215 WeakPolarHBondContact O-CE 3.25Å; L144-Y219 HydrophobicContact CD2-CD1 3.94Å; L144-Y219 HydrophobicContact CD2-CE1 3.58Å
145	F	92.8	Very high	94.8	Very high	90 Å²	90	40.8 Å²	40.8	40%	0.395	23%	0.23	S	C	.	.	H	α-helix	trans	-107.6	-24.1	-165.1	-61.8	-63.2	0	0	0	113.8	A141 I224	A141-F145 HydrophobicContact CB-CD2 4.39Å; A141-F145 VanDerWaalsContact O-CD2 3.3Å; A141-F145 WeakPolarHBondContact O-CD2 3.31Å; A141-F145 PolarHBondContact O-N 3.4Å; F145-I224 HydrophobicContact CE1-CD1 3.28Å; F145-I224 HydrophobicContact CZ-CD1 3.33Å
146	H	95.3	Very high	95.1	Very high	91 Å²	91	43.1 Å²	43.1	42%	0.421	24%	0.241	S	C	.	.	S	Bend	trans	-129.7	38.2	-175.3	-57.2	-40.5	0	0	0	113.8	S93 K94 E142	S93-H146 CarbonylContact C-O 3.57Å; S93-H146 VanDerWaalsContact CA-O 3.27Å; S93-H146 WeakPolarHBondContact CA-O 3.11Å; S93-H146 VanDerWaalsContact CB-O 3.3Å; S93-H146 WeakPolarHBondContact CB-O 3.48Å; K94-H146 HydrophobicContact CB-CB 3.92Å; K94-H146 PolarHBondContact N-O 3.48Å; E142-H146 CarbonylContact O-C 3.51Å; E142-H146 WeakPolarHBondContact O-CA 3.39Å; E142-H146 PolarHBondContact O-N 3.12Å; E142-H146 IonicContact OE1-CD2 2.63Å; E142-H146 PolarHBondContact OE1-CD2 3.47Å
147	P	96.4	Very high	95.4	Very high	14 Å²	14	43.2 Å²	43.2	9%	0.091	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-66.9	146.3	178.1	30.7	-36.1	0	0	0	111	F149 F212 M215	P147-F149 HydrophobicContact CB-CD1 4.01Å; P147-F149 HydrophobicContact CB-CE1 3.39Å; P147-F149 HydrophobicContact CB-CE2 4.2Å; P147-F149 HydrophobicContact CB-CZ 3.51Å; P147-F149 HydrophobicContact CG-CE1 4.14Å; P147-F149 HydrophobicContact CG-CE2 4.09Å; P147-F149 HydrophobicContact CG-CZ 3.72Å; P147-F212 HydrophobicContact CG-CE1 4.01Å; P147-F212 HydrophobicContact CG-CZ 4.38Å; P147-F212 WeakPolarHBondContact O-CZ 3.33Å; P147-M215 HydrophobicContact CG-CE 3.71Å; P147-M215 HydrophobicContact CG-SD 4.11Å
148	N	95.6	Very high	95.7	Very high	84 Å²	84	42 Å²	42	45%	0.449	23%	0.233	S	C	.	.			trans	-118.9	77.2	173.8	-176	22.2	0	0	0	110.2	P92 S150	P92-N148 WeakPolarHBondContact O-CA 3.48Å; P92-N148 WeakPolarHBondContact O-CB 3.26Å; P92-N148 PolarHBondContact O-N 3.01Å; N148-S150 PolarHBondContact O-N 3.42Å
149	F	96.4	Very high	96	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.018	24%	0.238	C	C	.	.			trans	-66.6	102.7	176.2	-52.3	-36.6	0	0	0	110.2	L85 L88 P147 I154 K208 L211 F212 M215	L85-F149 HydrophobicContact CD2-CE2 3.96Å; L85-F149 HydrophobicContact CD2-CZ 4Å; L88-F149 HydrophobicContact CB-CD1 3.99Å; L88-F149 HydrophobicContact CB-CE1 3.59Å; L88-F149 HydrophobicContact CB-CZ 4.12Å; L88-F149 HydrophobicContact CD1-CD1 4.16Å; L88-F149 HydrophobicContact CD1-CD2 4.37Å; L88-F149 HydrophobicContact CD1-CE1 4.28Å; L88-F149 HydrophobicContact CD1-CE2 4.48Å; L88-F149 HydrophobicContact CD1-CG 4.21Å; L88-F149 HydrophobicContact CD1-CZ 4.43Å; L88-F149 HydrophobicContact CD2-CD1 4.15Å; L88-F149 HydrophobicContact CG-CD1 4.34Å; L88-F149 HydrophobicContact CG-CE1 4.38Å; P147-F149 HydrophobicContact CB-CD1 4.01Å; P147-F149 HydrophobicContact CB-CE1 3.39Å; P147-F149 HydrophobicContact CB-CE2 4.2Å; P147-F149 HydrophobicContact CB-CZ 3.51Å; P147-F149 HydrophobicContact CG-CE1 4.14Å; P147-F149 HydrophobicContact CG-CE2 4.09Å; P147-F149 HydrophobicContact CG-CZ 3.72Å; F149-I154 HydrophobicContact CB-CD1 4.05Å; F149-I154 HydrophobicContact CB-CG1 4.04Å; F149-K208 WeakPolarHBondContact O-CD 3.35Å; F149-K208 WeakPolarHBondContact O-CE 3.34Å; F149-K208 PolarHBondContact O-NZ 3.28Å; F149-L211 HydrophobicContact CD2-CB 4.28Å; F149-L211 HydrophobicContact CD2-CD1 4.11Å; F149-L211 HydrophobicContact CE2-CB 4.27Å; F149-F212 HydrophobicContact CB-CE2 4.48Å; F149-F212 HydrophobicContact CD2-CD2 4.47Å; F149-F212 AromaticContact CD2-CE2 3.82Å; F149-F212 HydrophobicContact CD2-CE2 3.82Å; F149-F212 AromaticContact CD2-CZ 3.9Å; F149-F212 HydrophobicContact CD2-CZ 3.9Å; F149-F212 HydrophobicContact CE2-CZ 4.34Å; F149-F212 HydrophobicContact CG-CE2 4.48Å; F149-F212 HydrophobicContact CG-CZ 4.49Å; F149-M215 HydrophobicContact CE2-SD 3.7Å; F149-M215 HydrophobicContact CZ-SD 3.96Å
150	S	95.5	Very high	96.1	Very high	45 Å²	45	45.8 Å²	45.8	32%	0.315	25%	0.254	S	S	.	.			trans	-77.9	159.3	168.9	80.7	0	0	0	0	110	N148 A152 E153 I154	N148-S150 PolarHBondContact O-N 3.42Å; S150-A152 PolarHBondContact O-N 2.92Å; S150-A152 PolarHBondContact OG-N 3.1Å; S150-E153 PolarHBondContact O-N 2.92Å; S150-E153 VanDerWaalsContact O-N 3.11Å; S150-E153 WeakPolarHBondContact OG-CG 3.44Å; S150-E153 PolarHBondContact OG-N 2.73Å; S150-E153 VanDerWaalsContact OG-N 3.16Å; S150-I154 WeakPolarHBondContact O-CG1 3.31Å; S150-I154 PolarHBondContact O-N 3.49Å
151	E	96.6	Very high	96.3	Very high	125 Å²	125	45.8 Å²	45.8	58%	0.584	25%	0.254	S	S	*	.	H	α-helix	trans	-58.6	-31.7	174.9	-65.6	-54.9	136.9	0	0	112.2	A155	E151-A155 WeakPolarHBondContact O-CB 3.28Å; E151-A155 PolarHBondContact O-N 3.19Å
152	A	96.1	Very high	96.6	Very high	63 Å²	63	46 Å²	46	52%	0.521	25%	0.248	S	C	.	.	H	α-helix	trans	-68	-41.1	175.8	0	0	0	0	0	112.2	S150 A155 T156	S150-A152 PolarHBondContact O-N 2.92Å; S150-A152 PolarHBondContact OG-N 3.1Å; A152-A155 PolarHBondContact O-N 2.95Å; A152-T156 PolarHBondContact O-N 3.1Å; A152-T156 PolarHBondContact O-OG1 3.26Å; A152-T156 VanDerWaalsContact O-OG1 3.07Å
153	E	96.7	Very high	96.7	Very high	42 Å²	42	48.1 Å²	48.1	20%	0.196	27%	0.266	C	S	.	.	H	α-helix	trans	-66.1	-42.6	176.2	-67.7	-55.7	153.8	0	0	111.4	L88 T91 S150 A155 T156 A157	L88-E153 HydrophobicContact CD2-CB 3.95Å; T91-E153 HydrophobicContact CG2-CG 4.46Å; S150-E153 PolarHBondContact O-N 2.92Å; S150-E153 VanDerWaalsContact O-N 3.11Å; S150-E153 WeakPolarHBondContact OG-CG 3.44Å; S150-E153 PolarHBondContact OG-N 2.73Å; S150-E153 VanDerWaalsContact OG-N 3.16Å; E153-A155 VanDerWaalsContact C-N 3.3Å; E153-A155 PolarHBondContact O-N 3.46Å; E153-T156 PolarHBondContact O-N 2.85Å; E153-A157 WeakPolarHBondContact O-CB 3.22Å; E153-A157 PolarHBondContact O-N 3.12Å
154	I	98	Very high	96.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63.8	-38.8	176.5	-61.9	171.9	0	0	0	110.4	F84 L88 F149 S150 A157 R158 K208 L211	F84-I154 HydrophobicContact CE1-CG2 4.41Å; L88-I154 HydrophobicContact CD1-CG1 4.43Å; L88-I154 HydrophobicContact CD2-CG1 4.48Å; F149-I154 HydrophobicContact CB-CD1 4.05Å; F149-I154 HydrophobicContact CB-CG1 4.04Å; S150-I154 WeakPolarHBondContact O-CG1 3.31Å; S150-I154 PolarHBondContact O-N 3.49Å; I154-A157 PolarHBondContact O-N 3.38Å; I154-R158 WeakPolarHBondContact O-CB 3.31Å; I154-R158 PolarHBondContact O-N 3.3Å; I154-K208 HydrophobicContact CD1-CB 3.74Å; I154-K208 HydrophobicContact CD1-CG 4.33Å; I154-L211 HydrophobicContact CD1-CD1 4.15Å; I154-L211 HydrophobicContact CG1-CD1 4.21Å
155	A	98	Very high	96.8	Very high	39 Å²	39	51.1 Å²	51.1	32%	0.322	28%	0.282	S	S	.	.	H	α-helix	trans	-62.9	-45.5	174.3	0	0	0	0	0	112.6	E151 A152 E153 R158 E159	E151-A155 WeakPolarHBondContact O-CB 3.28Å; E151-A155 PolarHBondContact O-N 3.19Å; A152-A155 PolarHBondContact O-N 2.95Å; E153-A155 VanDerWaalsContact C-N 3.3Å; E153-A155 PolarHBondContact O-N 3.46Å; A155-R158 WeakPolarHBondContact O-CB 3.45Å; A155-R158 PolarHBondContact O-N 3.36Å; A155-E159 PolarHBondContact O-N 3.27Å; A155-E159 VanDerWaalsContact O-N 3.16Å
156	T	97.5	Very high	96.9	Very high	83 Å²	83	51.8 Å²	51.8	51%	0.509	29%	0.286	S	S	.	.	H	α-helix	trans	-61.6	-48	175.3	-58.6	0	0	0	0	111.4	A152 E153 R158 E159 V160	A152-T156 PolarHBondContact O-N 3.1Å; A152-T156 PolarHBondContact O-OG1 3.26Å; A152-T156 VanDerWaalsContact O-OG1 3.07Å; E153-T156 PolarHBondContact O-N 2.85Å; T156-R158 VanDerWaalsContact C-N 3.27Å; T156-R158 PolarHBondContact O-N 3.48Å; T156-E159 PolarHBondContact O-N 3.04Å; T156-V160 WeakPolarHBondContact O-CG2 3.11Å; T156-V160 PolarHBondContact O-N 3.38Å
157	A	97.9	Very high	96.7	Very high	3 Å²	3	49.8 Å²	49.8	3%	0.025	29%	0.286	C	S	.	.	H	α-helix	trans	-58.7	-39.5	177.5	0	0	0	0	0	111.9	F84 K87 L88 E153 I154 V160 V161	F84-A157 HydrophobicContact CD1-CB 4.31Å; K87-A157 HydrophobicContact CB-CB 4.01Å; L88-A157 HydrophobicContact CD2-CB 3.67Å; L88-A157 HydrophobicContact CG-CB 3.73Å; E153-A157 WeakPolarHBondContact O-CB 3.22Å; E153-A157 PolarHBondContact O-N 3.12Å; I154-A157 PolarHBondContact O-N 3.38Å; A157-V160 PolarHBondContact O-N 3.17Å; A157-V161 WeakPolarHBondContact O-CB 3.29Å; A157-V161 VanDerWaalsContact O-CG2 3.25Å; A157-V161 WeakPolarHBondContact O-CG2 3.03Å; A157-V161 PolarHBondContact O-N 2.83Å
158	R	98.2	Very high	96.5	Very high	42 Å²	42	49.7 Å²	49.7	16%	0.158	29%	0.285	C	S	.	.	H	α-helix	trans	-60	-47.3	175.9	-176.8	-178.9	-58.3	106.1	2.2	112.3	F84 I154 A155 T156 V160 V161 K162 F203 D204	F84-R158 HydrophobicContact CE1-CB 3.86Å; F84-R158 HydrophobicContact CE1-CG 4.47Å; F84-R158 HydrophobicContact CZ-CB 3.96Å; F84-R158 HydrophobicContact CZ-CG 4.09Å; I154-R158 WeakPolarHBondContact O-CB 3.31Å; I154-R158 PolarHBondContact O-N 3.3Å; A155-R158 WeakPolarHBondContact O-CB 3.45Å; A155-R158 PolarHBondContact O-N 3.36Å; T156-R158 VanDerWaalsContact C-N 3.27Å; T156-R158 PolarHBondContact O-N 3.48Å; R158-V160 VanDerWaalsContact C-N 3.33Å; R158-V161 PolarHBondContact O-N 3.45Å; R158-K162 HydrophobicContact CG-CD 4.37Å; R158-K162 WeakPolarHBondContact O-CG 3.3Å; R158-K162 PolarHBondContact O-N 2.72Å; R158-F203 WeakPolarHBondContact CD-O 3.49Å; R158-F203 WeakPolarHBondContact CG-O 3.47Å; R158-F203 PolarHBondContact NE-O 3.17Å; R158-D204 WeakPolarHBondContact CD-OD1 3.23Å
159	E	98.2	Very high	96.2	Very high	108 Å²	108	47.4 Å²	47.4	51%	0.505	27%	0.274	S	S	.	.	H	α-helix	trans	-66.5	-37.3	179.6	-63.8	-52.3	119.4	0	0	111.6	A155 T156 K162 S163	A155-E159 PolarHBondContact O-N 3.27Å; A155-E159 VanDerWaalsContact O-N 3.16Å; T156-E159 PolarHBondContact O-N 3.04Å; E159-K162 PolarHBondContact O-N 3.33Å; E159-K162 IonicContact OE1-NZ 2.75Å; E159-K162 PolarHBondContact OE1-NZ 3.2Å; E159-K162 VanDerWaalsContact OE1-NZ 3.11Å; E159-S163 WeakPolarHBondContact O-CB 3.37Å; E159-S163 PolarHBondContact O-N 3.24Å
160	V	98	Very high	95.8	Very high	59 Å²	59	52.8 Å²	52.8	36%	0.358	30%	0.3	S	S	.	.	H	α-helix	trans	-64.1	-43.1	172.3	175.1	0	0	0	0	111.2	K87 T156 A157 R158 S163 N164	K87-V160 HydrophobicContact CD-CG1 3.9Å; K87-V160 HydrophobicContact CG-CG1 4Å; T156-V160 WeakPolarHBondContact O-CG2 3.11Å; T156-V160 PolarHBondContact O-N 3.38Å; A157-V160 PolarHBondContact O-N 3.17Å; R158-V160 VanDerWaalsContact C-N 3.33Å; V160-S163 PolarHBondContact O-N 3.1Å; V160-N164 WeakPolarHBondContact O-CB 3.33Å; V160-N164 PolarHBondContact O-N 2.9Å; V160-N164 PolarHBondContact O-ND2 3.09Å
161	V	98.3	Very high	95.4	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-61.9	-46.3	176.6	163.4	0	0	0	0	111.2	F84 K87 A157 R158 N164 V165 C198 F203	F84-V161 HydrophobicContact CD2-CG1 4.46Å; F84-V161 HydrophobicContact CD2-CG2 4.17Å; F84-V161 HydrophobicContact CE2-CB 4.41Å; F84-V161 HydrophobicContact CE2-CG1 4.06Å; F84-V161 HydrophobicContact CE2-CG2 4.32Å; F84-V161 HydrophobicContact CG-CG2 4.44Å; K87-V161 HydrophobicContact CG-CG2 3.93Å; A157-V161 WeakPolarHBondContact O-CB 3.29Å; A157-V161 VanDerWaalsContact O-CG2 3.25Å; A157-V161 WeakPolarHBondContact O-CG2 3.03Å; A157-V161 PolarHBondContact O-N 2.83Å; R158-V161 PolarHBondContact O-N 3.45Å; V161-N164 PolarHBondContact O-N 3.06Å; V161-V165 WeakPolarHBondContact O-CG2 3.33Å; V161-V165 PolarHBondContact O-N 2.8Å; V161-C198 HydrophobicContact CG1-CB 3.59Å; V161-F203 HydrophobicContact CG1-CD1 4.11Å; V161-F203 HydrophobicContact CG1-CE1 3.89Å
162	K	98.1	Very high	95	Very high	41 Å²	41	50.5 Å²	50.5	18%	0.178	29%	0.286	C	S	.	.	H	α-helix	trans	-56.5	-53.7	175.4	-76.3	174.5	-178.2	170.4	0	110.9	R158 E159 N164 V165 E166 F203 D204	R158-K162 HydrophobicContact CG-CD 4.37Å; R158-K162 WeakPolarHBondContact O-CG 3.3Å; R158-K162 PolarHBondContact O-N 2.72Å; E159-K162 PolarHBondContact O-N 3.33Å; E159-K162 IonicContact OE1-NZ 2.75Å; E159-K162 PolarHBondContact OE1-NZ 3.2Å; E159-K162 VanDerWaalsContact OE1-NZ 3.11Å; K162-N164 VanDerWaalsContact C-N 3.31Å; K162-N164 PolarHBondContact O-N 3.38Å; K162-V165 PolarHBondContact O-N 3.33Å; K162-E166 WeakPolarHBondContact O-CG 3.43Å; K162-E166 PolarHBondContact O-N 3.45Å; K162-F203 HydrophobicContact CB-CE2 4.43Å; K162-F203 HydrophobicContact CD-CD2 4.21Å; K162-F203 HydrophobicContact CG-CB 4.37Å; K162-F203 HydrophobicContact CG-CD1 4.31Å; K162-F203 HydrophobicContact CG-CD2 3.52Å; K162-F203 HydrophobicContact CG-CE2 3.71Å; K162-F203 HydrophobicContact CG-CG 3.84Å; K162-F203 HydrophobicContact CG-CZ 4.21Å; K162-D204 IonicContact NZ-OD1 3.28Å; K162-D204 PolarHBondContact NZ-OD1 2.91Å
163	S	97.5	Very high	94.6	Very high	69 Å²	69	49.6 Å²	49.6	48%	0.483	27%	0.271	S	S	.	.	H	α-helix	trans	-57.6	-41.3	178.8	180	0	0	0	0	112.4	E159 V160 E166 A167	E159-S163 WeakPolarHBondContact O-CB 3.37Å; E159-S163 PolarHBondContact O-N 3.24Å; V160-S163 PolarHBondContact O-N 3.1Å; S163-E166 PolarHBondContact O-N 2.9Å; S163-A167 VanDerWaalsContact O-CB 3.26Å; S163-A167 WeakPolarHBondContact O-CB 3.38Å; S163-A167 PolarHBondContact O-N 3.49Å
164	N	95.9	Very high	94.4	Very high	49 Å²	49	47.7 Å²	47.7	26%	0.262	26%	0.262	S	S	.	.	H	α-helix	trans	-65.6	-45	177.6	-70.9	-21.9	0	0	0	112.6	K87 V160 V161 K162 E166 A167 I168	K87-N164 WeakPolarHBondContact CE-ND2 3.46Å; K87-N164 PolarHBondContact NZ-ND2 3.19Å; V160-N164 WeakPolarHBondContact O-CB 3.33Å; V160-N164 PolarHBondContact O-N 2.9Å; V160-N164 PolarHBondContact O-ND2 3.09Å; V161-N164 PolarHBondContact O-N 3.06Å; K162-N164 VanDerWaalsContact C-N 3.31Å; K162-N164 PolarHBondContact O-N 3.38Å; N164-E166 VanDerWaalsContact C-N 3.33Å; N164-A167 PolarHBondContact O-N 3.44Å; N164-I168 WeakPolarHBondContact O-CD1 3.28Å; N164-I168 VanDerWaalsContact O-CG1 3.26Å; N164-I168 WeakPolarHBondContact O-CG1 3.44Å; N164-I168 PolarHBondContact O-N 2.8Å
165	V	96.3	Very high	94.1	Very high	22 Å²	22	51.6 Å²	51.6	13%	0.133	28%	0.281	C	S	.	.	H	α-helix	trans	-62.7	-43.6	177.7	172.8	0	0	0	0	110.2	V161 K162 I168 T169 F203	V161-V165 WeakPolarHBondContact O-CG2 3.33Å; V161-V165 PolarHBondContact O-N 2.8Å; K162-V165 PolarHBondContact O-N 3.33Å; V165-I168 PolarHBondContact O-N 2.78Å; V165-T169 VanDerWaalsContact O-CG2 3.29Å; V165-T169 WeakPolarHBondContact O-CG2 3.3Å; V165-T169 PolarHBondContact O-N 3.49Å; V165-T169 VanDerWaalsContact O-N 3.15Å; V165-T169 PolarHBondContact O-OG1 2.86Å; V165-F203 HydrophobicContact CB-CZ 4.09Å; V165-F203 HydrophobicContact CG1-CZ 4.18Å; V165-F203 HydrophobicContact CG2-CE1 4.21Å; V165-F203 HydrophobicContact CG2-CZ 4.15Å
166	E	93.8	Very high	94	Very high	104 Å²	104	53 Å²	53	49%	0.486	28%	0.281	S	S	.	.	H	α-helix	trans	-58	-51.6	173.5	-72.7	175.8	-177.9	0	0	111.2	K162 S163 N164 I168 T169 M170	K162-E166 WeakPolarHBondContact O-CG 3.43Å; K162-E166 PolarHBondContact O-N 3.45Å; S163-E166 PolarHBondContact O-N 2.9Å; N164-E166 VanDerWaalsContact C-N 3.33Å; E166-I168 VanDerWaalsContact C-N 3.32Å; E166-I168 PolarHBondContact O-N 3.46Å; E166-T169 PolarHBondContact O-N 3.38Å; E166-T169 PolarHBondContact O-OG1 3.31Å; E166-M170 HydrophobicContact CB-CE 4.42Å; E166-M170 WeakPolarHBondContact O-CB 3.14Å; E166-M170 VanDerWaalsContact O-CG 3.3Å; E166-M170 WeakPolarHBondContact O-CG 3.48Å; E166-M170 PolarHBondContact O-N 3.19Å
167	A	92.4	Very high	94	Very high	50 Å²	50	50.3 Å²	50.3	41%	0.413	26%	0.263	S	S	.	.	H	α-helix	trans	-57.8	-41	179.8	0	0	0	0	0	112.8	S163 N164 T169 M170 K171	S163-A167 VanDerWaalsContact O-CB 3.26Å; S163-A167 WeakPolarHBondContact O-CB 3.38Å; S163-A167 PolarHBondContact O-N 3.49Å; N164-A167 PolarHBondContact O-N 3.44Å; A167-T169 VanDerWaalsContact C-N 3.34Å; A167-T169 PolarHBondContact O-N 3.34Å; A167-M170 PolarHBondContact O-N 2.91Å; A167-K171 WeakPolarHBondContact O-CG 3.46Å; A167-K171 PolarHBondContact O-N 3.12Å
168	I	92.3	Very high	94	Very high	12 Å²	12	50.4 Å²	50.4	6%	0.062	26%	0.263	C	S	.	.	H	α-helix	trans	-61.1	-44.7	175.7	-71.1	162.7	0	0	0	110.6	N164 V165 E166 M170 P174 E176 L177 Y197	N164-I168 WeakPolarHBondContact O-CD1 3.28Å; N164-I168 VanDerWaalsContact O-CG1 3.26Å; N164-I168 WeakPolarHBondContact O-CG1 3.44Å; N164-I168 PolarHBondContact O-N 2.8Å; V165-I168 PolarHBondContact O-N 2.78Å; E166-I168 VanDerWaalsContact C-N 3.32Å; E166-I168 PolarHBondContact O-N 3.46Å; I168-M170 VanDerWaalsContact C-N 3.33Å; I168-M170 PolarHBondContact O-N 3.03Å; I168-P174 WeakPolarHBondContact O-CB 3.2Å; I168-E176 HydrophobicContact CG2-CB 4.16Å; I168-L177 HydrophobicContact CG2-CB 3.83Å; I168-Y197 HydrophobicContact CD1-CD1 3.67Å; I168-Y197 HydrophobicContact CD1-CD2 4.26Å; I168-Y197 HydrophobicContact CD1-CE1 3.42Å; I168-Y197 VanDerWaalsContact CD1-CE1 3.42Å; I168-Y197 HydrophobicContact CD1-CE2 4.06Å; I168-Y197 HydrophobicContact CD1-CG 4.08Å
169	T	89	Confident	93.9	Very high	36 Å²	36	50.3 Å²	50.3	22%	0.221	27%	0.266	C	S	.	.	H	α-helix	trans	-79.5	-13.4	-175.5	69	0	0	0	0	114.4	V165 E166 A167 L177 K249 Y444	V165-T169 VanDerWaalsContact O-CG2 3.29Å; V165-T169 WeakPolarHBondContact O-CG2 3.3Å; V165-T169 PolarHBondContact O-N 3.49Å; V165-T169 VanDerWaalsContact O-N 3.15Å; V165-T169 PolarHBondContact O-OG1 2.86Å; E166-T169 PolarHBondContact O-N 3.38Å; E166-T169 PolarHBondContact O-OG1 3.31Å; A167-T169 VanDerWaalsContact C-N 3.34Å; A167-T169 PolarHBondContact O-N 3.34Å; T169-L177 HydrophobicContact CG2-CD2 4.32Å; T169-K249 PolarHBondContact O-NZ 2.93Å; T169-Y444 PolarHBondContact O-OH 2.78Å
170	M	87.6	Confident	93.9	Very high	117 Å²	117	45.8 Å²	45.8	58%	0.576	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95	-1.2	177	-71	-174.8	-175.7	0	0	113.7	E166 A167 I168 V254	E166-M170 HydrophobicContact CB-CE 4.42Å; E166-M170 WeakPolarHBondContact O-CB 3.14Å; E166-M170 VanDerWaalsContact O-CG 3.3Å; E166-M170 WeakPolarHBondContact O-CG 3.48Å; E166-M170 PolarHBondContact O-N 3.19Å; A167-M170 PolarHBondContact O-N 2.91Å; I168-M170 VanDerWaalsContact C-N 3.33Å; I168-M170 PolarHBondContact O-N 3.03Å; M170-V254 WeakPolarHBondContact O-CG1 3.47Å
171	K	87.5	Confident	93.9	Very high	85 Å²	85	43.9 Å²	43.9	37%	0.37	23%	0.233	S	C	.	.	S	Bend	trans	-72.4	135.8	171.1	-70.3	174.7	-173	179.9	0	109.5	A167 E173 P174 E176	A167-K171 WeakPolarHBondContact O-CG 3.46Å; A167-K171 PolarHBondContact O-N 3.12Å; K171-E173 PolarHBondContact O-N 3.45Å; K171-P174 HydrophobicContact CB-CB 4.32Å; K171-P174 WeakPolarHBondContact O-CD 3.36Å; K171-E176 IonicContact NZ-OE1 3.35Å; K171-E176 PolarHBondContact NZ-OE1 2.85Å
172	P	86.8	Confident	93.9	Very high	36 Å²	36	43.9 Å²	43.9	23%	0.234	23%	0.233	C	C	.	.	S	Bend	trans	-58.1	-31.2	171.9	-25.7	34.3	0	0	0	113.2	F261 H266	P172-F261 HydrophobicContact CB-CB 3.98Å; P172-F261 HydrophobicContact CB-CD1 3.5Å; P172-F261 VanDerWaalsContact CB-CD1 3.5Å; P172-F261 HydrophobicContact CB-CD2 4.28Å; P172-F261 HydrophobicContact CB-CE1 4Å; P172-F261 HydrophobicContact CB-CG 3.66Å; P172-F261 HydrophobicContact CG-CB 4.02Å; P172-F261 HydrophobicContact CG-CD1 4.23Å; P172-F261 HydrophobicContact CG-CD2 4.14Å; P172-F261 HydrophobicContact CG-CG 3.87Å; P172-H266 PolarHBondContact O-CE1 3.22Å; P172-H266 PolarHBondContact O-NE2 3.02Å; P172-H266 VanDerWaalsContact O-NE2 3.15Å
173	E	88.2	Confident	93.9	Very high	45 Å²	45	42 Å²	42	21%	0.21	23%	0.225	C	C	.	.	S	Bend	trans	-123.2	88.8	171.4	-59.1	-154.7	89	0	0	109.6	K171 E175 L264 N326 S345	K171-E173 PolarHBondContact O-N 3.45Å; E173-E175 VanDerWaalsContact C-N 3.27Å; E173-E175 PolarHBondContact O-N 3.38Å; E173-L264 HydrophobicContact CG-CD1 3.84Å; E173-N326 WeakPolarHBondContact OE1-CB 3.43Å; E173-S345 WeakPolarHBondContact OE1-CB 3.4Å; E173-S345 PolarHBondContact OE1-OG 3.01Å
174	P	91.9	Very high	93.9	Very high	1 Å²	1	40 Å²	40	1%	0.006	21%	0.212	C	C	.	.			trans	-84.1	68.7	-171.9	35.1	-36.2	0	0	0	111.1	I168 K171 E176 L177 L178 Y444	I168-P174 WeakPolarHBondContact O-CB 3.2Å; K171-P174 HydrophobicContact CB-CB 4.32Å; K171-P174 WeakPolarHBondContact O-CD 3.36Å; P174-E176 VanDerWaalsContact C-N 3.29Å; P174-E176 PolarHBondContact O-N 3.42Å; P174-L177 HydrophobicContact CB-CB 4.06Å; P174-L177 HydrophobicContact CB-CD2 4.43Å; P174-L177 HydrophobicContact CG-CD2 4.41Å; P174-L177 WeakPolarHBondContact O-CB 3.49Å; P174-L177 PolarHBondContact O-N 2.86Å; P174-L177 VanDerWaalsContact O-N 3.07Å; P174-L178 WeakPolarHBondContact O-CG 3.29Å; P174-L178 PolarHBondContact O-N 2.92Å; P174-Y444 HydrophobicContact CG-CD1 4Å; P174-Y444 HydrophobicContact CG-CE1 3.58Å
175	E	93.5	Very high	94	Very high	82 Å²	82	37.8 Å²	37.8	38%	0.383	20%	0.2	S	C	.	.	H	α-helix	trans	-55.2	-40.8	-174	-61	-169	172.5	0	0	113.8	E173 L177 L178 N179 R343	E173-E175 VanDerWaalsContact C-N 3.27Å; E173-E175 PolarHBondContact O-N 3.38Å; E175-L177 VanDerWaalsContact C-N 3.34Å; E175-L177 PolarHBondContact O-N 3.18Å; E175-L178 PolarHBondContact O-N 3.44Å; E175-N179 WeakPolarHBondContact O-CB 3.12Å; E175-N179 PolarHBondContact O-N 3.48Å; E175-N179 PolarHBondContact O-ND2 3.04Å; E175-N179 PolarHBondContact O-OD1 2.94Å; E175-R343 IonicContact OE1-NH2 3.57Å; E175-R343 IonicContact OE2-CZ 2.7Å; E175-R343 IonicContact OE2-NH2 3.77Å; E175-R343 PolarHBondContact OE2-NH2 2.77Å
176	E	95.2	Very high	94.1	Very high	69 Å²	69	36.7 Å²	36.7	32%	0.322	19%	0.194	S	C	.	.	H	α-helix	trans	-60.5	-42.6	177.7	-71.7	173.6	-119.4	0	0	112.2	I168 K171 P174 D180 Y197	I168-E176 HydrophobicContact CG2-CB 4.16Å; K171-E176 IonicContact NZ-OE1 3.35Å; K171-E176 PolarHBondContact NZ-OE1 2.85Å; P174-E176 VanDerWaalsContact C-N 3.29Å; P174-E176 PolarHBondContact O-N 3.42Å; E176-D180 PolarHBondContact O-N 3.45Å; E176-D180 VanDerWaalsContact O-N 3.12Å; E176-Y197 HydrophobicContact CB-CE2 4.22Å; E176-Y197 WeakPolarHBondContact CB-OH 3.31Å; E176-Y197 PolarHBondContact OE2-OH 3.24Å
177	L	96.5	Very high	94.3	Very high	26 Å²	26	32.1 Å²	32.1	14%	0.136	17%	0.172	C	C	.	.	H	α-helix	trans	-66.7	-48	175.4	177.5	63.6	0	0	0	110.5	I168 T169 P174 E175 N179 D180 L181 Y444	I168-L177 HydrophobicContact CG2-CB 3.83Å; T169-L177 HydrophobicContact CG2-CD2 4.32Å; P174-L177 HydrophobicContact CB-CB 4.06Å; P174-L177 HydrophobicContact CB-CD2 4.43Å; P174-L177 HydrophobicContact CG-CD2 4.41Å; P174-L177 WeakPolarHBondContact O-CB 3.49Å; P174-L177 PolarHBondContact O-N 2.86Å; P174-L177 VanDerWaalsContact O-N 3.07Å; E175-L177 VanDerWaalsContact C-N 3.34Å; E175-L177 PolarHBondContact O-N 3.18Å; L177-N179 PolarHBondContact O-N 3.36Å; L177-D180 PolarHBondContact O-N 3.1Å; L177-L181 HydrophobicContact CD1-CD1 4.13Å; L177-L181 HydrophobicContact CD1-CD2 4.28Å; L177-L181 HydrophobicContact CD1-CG 3.99Å; L177-L181 HydrophobicContact CD2-CD1 4.4Å; L177-L181 HydrophobicContact CG-CD1 3.84Å; L177-L181 HydrophobicContact CG-CG 4.12Å; L177-L181 VanDerWaalsContact O-CG 3.28Å; L177-L181 WeakPolarHBondContact O-CG 3.39Å; L177-L181 PolarHBondContact O-N 3.42Å; L177-Y444 HydrophobicContact CD2-CD2 4.05Å; L177-Y444 HydrophobicContact CD2-CE1 4.3Å; L177-Y444 HydrophobicContact CD2-CE2 3.52Å
178	L	97.9	Very high	94.3	Very high	5 Å²	5	35.6 Å²	35.6	3%	0.026	18%	0.175	C	C	.	.	H	α-helix	trans	-59.6	-37.3	-180	-66.3	177	0	0	0	111.9	P174 E175 I182 H266 V268 V442 Y444	P174-L178 WeakPolarHBondContact O-CG 3.29Å; P174-L178 PolarHBondContact O-N 2.92Å; E175-L178 PolarHBondContact O-N 3.44Å; L178-I182 WeakPolarHBondContact O-CG2 3.34Å; L178-I182 PolarHBondContact O-N 3.35Å; L178-H266 HydrophobicContact CD1-CB 3.96Å; L178-H266 HydrophobicContact CD2-CB 3.86Å; L178-V268 HydrophobicContact CB-CG2 4.07Å; L178-V268 HydrophobicContact CD1-CG2 4.48Å; L178-V268 HydrophobicContact CD2-CG2 4.17Å; L178-V268 HydrophobicContact CG-CG2 4.47Å; L178-V442 HydrophobicContact CD2-CG1 4.28Å; L178-Y444 HydrophobicContact CD2-CG 4.44Å
179	N	97.2	Very high	94.3	Very high	41 Å²	41	42.1 Å²	42.1	22%	0.219	21%	0.21	C	C	.	.	H	α-helix	trans	-62.6	-46	172.4	-70.2	-14.3	0	0	0	111.2	E175 L177 I182 H183 F341 R343	E175-N179 WeakPolarHBondContact O-CB 3.12Å; E175-N179 PolarHBondContact O-N 3.48Å; E175-N179 PolarHBondContact O-ND2 3.04Å; E175-N179 PolarHBondContact O-OD1 2.94Å; L177-N179 PolarHBondContact O-N 3.36Å; N179-I182 WeakPolarHBondContact O-CG2 3.43Å; N179-H183 PolarHBondContact O-N 3.4Å; N179-H183 PolarHBondContact O-ND1 2.91Å; N179-F341 VanDerWaalsContact OD1-CE2 3.32Å; N179-F341 WeakPolarHBondContact OD1-CE2 3.45Å; N179-F341 WeakPolarHBondContact OD1-CZ 3.22Å; N179-R343 PolarHBondContact ND2-NH1 3.16Å; N179-R343 WeakPolarHBondContact OD1-CD 3.47Å; N179-R343 PolarHBondContact OD1-NH1 3.02Å
180	D	97.6	Very high	94.3	Very high	12 Å²	12	44.1 Å²	44.1	6%	0.064	22%	0.219	C	C	.	.	H	α-helix	trans	-66.3	-42.4	179.9	-156.8	28.5	0	0	0	111.8	K119 E176 L177 I182 H183 A184 P195 K196	K119-D180 WeakPolarHBondContact CE-OD1 2.98Å; K119-D180 IonicContact NZ-OD1 3.97Å; K119-D180 PolarHBondContact NZ-OD1 2.86Å; E176-D180 PolarHBondContact O-N 3.45Å; E176-D180 VanDerWaalsContact O-N 3.12Å; L177-D180 PolarHBondContact O-N 3.1Å; D180-I182 PolarHBondContact O-N 3.4Å; D180-H183 PolarHBondContact O-N 3.04Å; D180-A184 PolarHBondContact O-N 3.47Å; D180-P195 WeakPolarHBondContact OD2-CA 3.11Å; D180-K196 VanDerWaalsContact CG-N 3.26Å; D180-K196 WeakPolarHBondContact OD1-CB 3.49Å; D180-K196 PolarHBondContact OD1-N 2.78Å; D180-K196 PolarHBondContact OD2-N 2.88Å
181	L	98.2	Very high	94.7	Very high	19 Å²	19	38.7 Å²	38.7	10%	0.099	19%	0.192	C	C	.	.	H	α-helix	trans	-63.3	-37.9	178.5	-65.8	178.4	0	0	0	112.7	L177 H183 A184 A185 I245 I247 V442 Y444	L177-L181 HydrophobicContact CD1-CD1 4.13Å; L177-L181 HydrophobicContact CD1-CD2 4.28Å; L177-L181 HydrophobicContact CD1-CG 3.99Å; L177-L181 HydrophobicContact CD2-CD1 4.4Å; L177-L181 HydrophobicContact CG-CD1 3.84Å; L177-L181 HydrophobicContact CG-CG 4.12Å; L177-L181 VanDerWaalsContact O-CG 3.28Å; L177-L181 WeakPolarHBondContact O-CG 3.39Å; L177-L181 PolarHBondContact O-N 3.42Å; L181-H183 VanDerWaalsContact C-N 3.27Å; L181-H183 PolarHBondContact O-N 3.28Å; L181-A184 PolarHBondContact O-N 3.42Å; L181-A185 WeakPolarHBondContact O-CB 3.29Å; L181-A185 PolarHBondContact O-N 2.82Å; L181-I245 HydrophobicContact CD2-CG2 4.17Å; L181-I247 HydrophobicContact CD1-CD1 3.85Å; L181-I247 HydrophobicContact CD2-CD1 3.69Å; L181-I247 HydrophobicContact CG-CD1 4.44Å; L181-V442 VanDerWaalsContact C-CG2 3.5Å; L181-V442 HydrophobicContact CB-CB 4.46Å; L181-V442 HydrophobicContact CB-CG1 3.76Å; L181-V442 HydrophobicContact CB-CG2 3.8Å; L181-V442 HydrophobicContact CD1-CG1 3.8Å; L181-V442 HydrophobicContact CG-CG1 4.45Å; L181-Y444 HydrophobicContact CD1-CD2 4.43Å
182	I	98.4	Very high	95.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-69.3	-30.8	179.3	-168.1	64.1	0	0	0	111.3	L178 N179 D180 A185 A186 V268 I339 F341 S440 V442	L178-I182 WeakPolarHBondContact O-CG2 3.34Å; L178-I182 PolarHBondContact O-N 3.35Å; N179-I182 WeakPolarHBondContact O-CG2 3.43Å; D180-I182 PolarHBondContact O-N 3.4Å; I182-A185 PolarHBondContact O-N 3.45Å; I182-A186 VanDerWaalsContact O-CB 3.28Å; I182-A186 WeakPolarHBondContact O-CB 3.48Å; I182-A186 PolarHBondContact O-N 3.09Å; I182-V268 HydrophobicContact CB-CG1 4.01Å; I182-V268 HydrophobicContact CD1-CB 4.29Å; I182-V268 HydrophobicContact CD1-CG1 3.91Å; I182-V268 HydrophobicContact CG1-CG1 3.85Å; I182-V268 HydrophobicContact CG2-CG1 4.49Å; I182-I339 HydrophobicContact CG1-CD1 3.82Å; I182-I339 HydrophobicContact CG2-CD1 4.37Å; I182-F341 HydrophobicContact CG1-CB 4.16Å; I182-F341 HydrophobicContact CG1-CG 4.3Å; I182-F341 HydrophobicContact CG2-CD1 4.03Å; I182-F341 HydrophobicContact CG2-CD2 4.2Å; I182-F341 HydrophobicContact CG2-CE1 4.01Å; I182-F341 HydrophobicContact CG2-CE2 4.18Å; I182-F341 HydrophobicContact CG2-CG 4.11Å; I182-F341 HydrophobicContact CG2-CZ 4.08Å; I182-S440 WeakPolarHBondContact CD1-O 3.2Å; I182-V442 HydrophobicContact CB-CG2 3.92Å; I182-V442 HydrophobicContact CD1-CG2 3.87Å
183	H	98.3	Very high	95.6	Very high	3 Å²	3	33 Å²	33	1%	0.014	17%	0.165	C	C	.	.	H	α-helix	trans	-69.6	-44.4	171.5	-69.8	81.3	0	0	0	111.8	K119 N179 D180 L181 A185 A186 Y187 L192 G193 Y334 I339	K119-H183 HydrophobicContact CD-CB 4.47Å; N179-H183 PolarHBondContact O-N 3.4Å; N179-H183 PolarHBondContact O-ND1 2.91Å; D180-H183 PolarHBondContact O-N 3.04Å; L181-H183 VanDerWaalsContact C-N 3.27Å; L181-H183 PolarHBondContact O-N 3.28Å; H183-A185 VanDerWaalsContact C-N 3.25Å; H183-A185 PolarHBondContact O-N 3.28Å; H183-A186 PolarHBondContact O-N 2.85Å; H183-A186 VanDerWaalsContact O-N 3.11Å; H183-Y187 HydrophobicContact CB-CD2 4.3Å; H183-Y187 AromaticContact CD2-CE2 3.94Å; H183-Y187 WeakPolarHBondContact O-CB 3.37Å; H183-Y187 WeakPolarHBondContact O-CD2 3.37Å; H183-Y187 PolarHBondContact O-N 3.38Å; H183-L192 VanDerWaalsContact CB-O 3.3Å; H183-L192 WeakPolarHBondContact CB-O 3.37Å; H183-G193 WeakPolarHBondContact O-CA 3.35Å; H183-Y334 AromaticContact NE2-CE2 3.56Å; H183-Y334 AromaticContact NE2-CZ 3.59Å; H183-Y334 PolarHBondContact NE2-OH 2.8Å; H183-I339 WeakPolarHBondContact NE2-CG2 3.42Å
184	A	97.8	Very high	96	Very high	25 Å²	25	31.1 Å²	31.1	21%	0.207	16%	0.156	C	C	.	.	H	α-helix	trans	-60.4	-37.6	175.3	0	0	0	0	0	111.3	D180 L181 R188 G193 I245	D180-A184 PolarHBondContact O-N 3.47Å; L181-A184 PolarHBondContact O-N 3.42Å; A184-R188 WeakPolarHBondContact O-CA 3.32Å; A184-R188 PolarHBondContact O-N 2.68Å; A184-G193 WeakPolarHBondContact CA-O 3.38Å; A184-G193 WeakPolarHBondContact CB-O 3.45Å; A184-I245 HydrophobicContact CB-CD1 3.36Å
185	A	97.9	Very high	96.3	Very high	3 Å²	3	32.2 Å²	32.2	3%	0.025	16%	0.163	C	C	.	.	H	α-helix	trans	-67.1	-36.4	173.6	0	0	0	0	0	112.9	L181 I182 H183 G242 G243 I245 V442	L181-A185 WeakPolarHBondContact O-CB 3.29Å; L181-A185 PolarHBondContact O-N 2.82Å; I182-A185 PolarHBondContact O-N 3.45Å; H183-A185 VanDerWaalsContact C-N 3.25Å; H183-A185 PolarHBondContact O-N 3.28Å; A185-G242 CarbonylContact O-C 3.46Å; A185-G242 VanDerWaalsContact O-C 3.26Å; A185-G242 VanDerWaalsContact O-O 3.04Å; A185-G243 VanDerWaalsContact O-CA 3.3Å; A185-G243 WeakPolarHBondContact O-CA 3.19Å; A185-G243 PolarHBondContact O-N 3.21Å; A185-I245 HydrophobicContact CB-CB 4.42Å; A185-I245 HydrophobicContact CB-CD1 4.23Å; A185-I245 HydrophobicContact CB-CG1 3.98Å; A185-V442 HydrophobicContact CB-CG2 4.3Å
186	A	97.9	Very high	96.5	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-79.3	-43.1	-177.6	0	0	0	0	0	114.2	I182 H183 Y240 T241 I339 S440	I182-A186 VanDerWaalsContact O-CB 3.28Å; I182-A186 WeakPolarHBondContact O-CB 3.48Å; I182-A186 PolarHBondContact O-N 3.09Å; H183-A186 PolarHBondContact O-N 2.85Å; H183-A186 VanDerWaalsContact O-N 3.11Å; A186-Y240 HydrophobicContact CB-CD2 3.8Å; A186-Y240 HydrophobicContact CB-CE2 3.48Å; A186-Y240 VanDerWaalsContact CB-CE2 3.48Å; A186-T241 PolarHBondContact O-N 2.98Å; A186-T241 PolarHBondContact O-OG1 3.43Å; A186-I339 HydrophobicContact CB-CD1 3.75Å; A186-S440 WeakPolarHBondContact CA-OG 3.47Å; A186-S440 VanDerWaalsContact CB-OG 3.29Å; A186-S440 WeakPolarHBondContact CB-OG 3.42Å; A186-S440 PolarHBondContact N-OG 3.24Å
187	Y	97.3	Very high	96.6	Very high	7 Å²	7	28.7 Å²	28.7	3%	0.027	15%	0.145	C	C	.	.	H	α-helix	trans	-114.1	-2.6	-169.2	-59.8	-79.7	0	0	0	113	H183 L192 G193 A238 Q239 Y240 S337 G338	H183-Y187 HydrophobicContact CB-CD2 4.3Å; H183-Y187 AromaticContact CD2-CE2 3.94Å; H183-Y187 WeakPolarHBondContact O-CB 3.37Å; H183-Y187 WeakPolarHBondContact O-CD2 3.37Å; H183-Y187 PolarHBondContact O-N 3.38Å; Y187-L192 HydrophobicContact CD1-CB 4.24Å; Y187-L192 HydrophobicContact CD1-CD1 4.41Å; Y187-L192 HydrophobicContact CD2-CB 3.6Å; Y187-L192 HydrophobicContact CD2-CD1 4.38Å; Y187-L192 HydrophobicContact CE1-CD1 3.94Å; Y187-L192 HydrophobicContact CE2-CB 3.95Å; Y187-L192 HydrophobicContact CE2-CD1 3.91Å; Y187-L192 HydrophobicContact CG-CB 3.78Å; Y187-G193 VanDerWaalsContact CB-N 3.3Å; Y187-A238 HydrophobicContact CD1-CB 3.95Å; Y187-A238 HydrophobicContact CE1-CB 3.9Å; Y187-Q239 WeakPolarHBondContact CD1-O 3.32Å; Y187-Y240 HydrophobicContact CE1-CD2 4.24Å; Y187-Y240 HydrophobicContact CE2-CD2 4.44Å; Y187-Y240 AromaticContact CZ-CD2 3.98Å; Y187-S337 WeakPolarHBondContact CE1-OG 3.46Å; Y187-S337 WeakPolarHBondContact OH-CB 3.41Å; Y187-S337 PolarHBondContact OH-OG 2.79Å; Y187-G338 PolarHBondContact OH-O 2.7Å
188	R	94.2	Very high	96.6	Very high	123 Å²	123	27.5 Å²	27.5	46%	0.464	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	-146.4	177.7	-55	-176.7	-173.6	155	7.7	112.1	A184 N190 G193 T241	A184-R188 WeakPolarHBondContact O-CA 3.32Å; A184-R188 PolarHBondContact O-N 2.68Å; R188-N190 PolarHBondContact O-N 3.15Å; R188-G193 CarbonylContact O-C 3.58Å; R188-G193 WeakPolarHBondContact O-CA 3.36Å; R188-T241 PolarHBondContact NE-OG1 3.04Å; R188-T241 VanDerWaalsContact NE-OG1 3.09Å; R188-T241 PolarHBondContact NH2-OG1 2.76Å
189	D	91.1	Very high	96.5	Very high	149 Å²	149	30.3 Å²	30.3	80%	0.797	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	28.8	-175.2	-53.7	-52.6	0	0	0	113.7	L194	D189-L194 WeakPolarHBondContact O-CD2 3.16Å
190	N	90.2	Very high	96.4	Very high	79 Å²	79	31.9 Å²	31.9	42%	0.422	16%	0.164	S	C	.	.	S	Bend	trans	-138	146.3	-176.3	-162.7	22.7	0	0	0	112.9	R188 L192 G193	R188-N190 PolarHBondContact O-N 3.15Å; N190-L192 PolarHBondContact O-N 2.98Å; N190-L192 VanDerWaalsContact O-N 3.15Å; N190-G193 PolarHBondContact O-N 3.39Å
191	T	94.2	Very high	96.3	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.012	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	46.5	-118	176.1	63.2	0	0	0	0	112.3	R72 G193 L194 A238	R72-T191 VanDerWaalsContact CA-O 3.26Å; R72-T191 WeakPolarHBondContact CA-O 3.07Å; T191-G193 PolarHBondContact O-N 3.11Å; T191-G193 VanDerWaalsContact O-N 3.11Å; T191-L194 WeakPolarHBondContact O-CB 3.29Å; T191-L194 PolarHBondContact O-N 3.48Å; T191-L194 VanDerWaalsContact O-N 3.08Å; T191-A238 VanDerWaalsContact OG1-CA 3.28Å; T191-A238 WeakPolarHBondContact OG1-CA 3.31Å; T191-A238 WeakPolarHBondContact OG1-CB 3.18Å
192	L	96.3	Very high	96.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-60.6	-20.9	-179	-63.9	176.4	0	0	0	113.7	K119 H183 Y187 N190 L194 A238 Y334	K119-L192 HydrophobicContact CB-CD2 4.08Å; K119-L192 HydrophobicContact CD-CD2 4.35Å; K119-L192 VanDerWaalsContact CD-O 3.31Å; K119-L192 WeakPolarHBondContact CD-O 3.23Å; K119-L192 VanDerWaalsContact CE-O 3.27Å; K119-L192 WeakPolarHBondContact CE-O 3.31Å; K119-L192 PolarHBondContact NZ-O 3.39Å; H183-L192 VanDerWaalsContact CB-O 3.3Å; H183-L192 WeakPolarHBondContact CB-O 3.37Å; Y187-L192 HydrophobicContact CD1-CB 4.24Å; Y187-L192 HydrophobicContact CD1-CD1 4.41Å; Y187-L192 HydrophobicContact CD2-CB 3.6Å; Y187-L192 HydrophobicContact CD2-CD1 4.38Å; Y187-L192 HydrophobicContact CE1-CD1 3.94Å; Y187-L192 HydrophobicContact CE2-CB 3.95Å; Y187-L192 HydrophobicContact CE2-CD1 3.91Å; Y187-L192 HydrophobicContact CG-CB 3.78Å; N190-L192 PolarHBondContact O-N 2.98Å; N190-L192 VanDerWaalsContact O-N 3.15Å; L192-L194 VanDerWaalsContact C-N 3.35Å; L192-A238 HydrophobicContact CB-CB 4.45Å; L192-A238 HydrophobicContact CD1-CB 3.59Å; L192-A238 HydrophobicContact CG-CB 3.8Å; L192-Y334 HydrophobicContact CD1-CD1 4.35Å; L192-Y334 HydrophobicContact CD1-CD2 3.39Å; L192-Y334 HydrophobicContact CD1-CE2 3.83Å; L192-Y334 HydrophobicContact CD1-CG 3.69Å; L192-Y334 HydrophobicContact CD2-CD1 3.68Å; L192-Y334 HydrophobicContact CD2-CD2 4.17Å; L192-Y334 HydrophobicContact CD2-CE1 3.76Å; L192-Y334 HydrophobicContact CD2-CE2 4.24Å; L192-Y334 HydrophobicContact CD2-CG 3.89Å; L192-Y334 HydrophobicContact CG-CD2 4.43Å; L192-Y334 HydrophobicContact CG-CG 4.46Å
193	G	96.8	Very high	96.2	Very high	3 Å²	3	37.5 Å²	37.5	3%	0.031	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-83.9	-11.5	179.1	0	0	0	0	0	114	H183 A184 Y187 R188 N190 T191	H183-G193 WeakPolarHBondContact O-CA 3.35Å; A184-G193 WeakPolarHBondContact CA-O 3.38Å; A184-G193 WeakPolarHBondContact CB-O 3.45Å; Y187-G193 VanDerWaalsContact CB-N 3.3Å; R188-G193 CarbonylContact O-C 3.58Å; R188-G193 WeakPolarHBondContact O-CA 3.36Å; N190-G193 PolarHBondContact O-N 3.39Å; T191-G193 PolarHBondContact O-N 3.11Å; T191-G193 VanDerWaalsContact O-N 3.11Å
194	L	97.5	Very high	96.1	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.021	22%	0.22	C	C	.	.	S	Bend	trans	-61.1	138.4	167.9	-64.9	175.7	0	0	0	110	S71 A75 K79 K119 D189 T191 L192 K196	S71-L194 WeakPolarHBondContact O-CB 3.41Å; S71-L194 VanDerWaalsContact O-CD1 3.27Å; S71-L194 WeakPolarHBondContact O-CD1 3.22Å; A75-L194 HydrophobicContact CB-CD1 4.16Å; K79-L194 HydrophobicContact CD-CD2 4.13Å; K119-L194 PolarHBondContact NZ-O 2.78Å; D189-L194 WeakPolarHBondContact O-CD2 3.16Å; T191-L194 WeakPolarHBondContact O-CB 3.29Å; T191-L194 PolarHBondContact O-N 3.48Å; T191-L194 VanDerWaalsContact O-N 3.08Å; L192-L194 VanDerWaalsContact C-N 3.35Å; L194-K196 PolarHBondContact O-N 2.86Å
195	P	97.5	Very high	96	Very high	24 Å²	24	48 Å²	48	16%	0.156	24%	0.237	C	C	.	.			trans	-66.1	134.6	-173.1	27.9	-35	0	0	0	110.4	S71 K79 D180 Y197 Q199	S71-P195 WeakPolarHBondContact CB-O 3.28Å; K79-P195 HydrophobicContact CB-CG 3.76Å; K79-P195 HydrophobicContact CG-CG 4.12Å; D180-P195 WeakPolarHBondContact OD2-CA 3.11Å; P195-Y197 VanDerWaalsContact C-N 3.34Å; P195-Q199 HydrophobicContact CB-CG 4.33Å; P195-Q199 VanDerWaalsContact CB-NE2 3.29Å; P195-Q199 HydrophobicContact CG-CG 3.86Å
196	K	97.8	Very high	96	Very high	56 Å²	56	47.9 Å²	47.9	24%	0.243	24%	0.236	C	C	.	.	S	Bend	trans	-63.9	-44.9	175.1	-179	-173.9	171.5	-160.1	0	110.3	S71 H117 D180 L194	S71-K196 WeakPolarHBondContact OG-CA 3.17Å; H117-K196 PolarHBondContact NE2-O 2.88Å; H117-K196 VanDerWaalsContact NE2-O 3.12Å; H117-K196 VanDerWaalsContact O-CE 3.24Å; H117-K196 WeakPolarHBondContact O-CE 3.5Å; D180-K196 VanDerWaalsContact CG-N 3.26Å; D180-K196 WeakPolarHBondContact OD1-CB 3.49Å; D180-K196 PolarHBondContact OD1-N 2.78Å; D180-K196 PolarHBondContact OD2-N 2.88Å; L194-K196 PolarHBondContact O-N 2.86Å
197	Y	97.7	Very high	96	Very high	22 Å²	22	51.4 Å²	51.4	9%	0.086	26%	0.255	C	S	.	.	S	Bend	trans	-94.2	146.2	-176.1	-56.1	-78.9	0	0	0	111.7	I168 E176 P195 Q199	I168-Y197 HydrophobicContact CD1-CD1 3.67Å; I168-Y197 HydrophobicContact CD1-CD2 4.26Å; I168-Y197 HydrophobicContact CD1-CE1 3.42Å; I168-Y197 VanDerWaalsContact CD1-CE1 3.42Å; I168-Y197 HydrophobicContact CD1-CE2 4.06Å; I168-Y197 HydrophobicContact CD1-CG 4.08Å; E176-Y197 HydrophobicContact CB-CE2 4.22Å; E176-Y197 WeakPolarHBondContact CB-OH 3.31Å; E176-Y197 PolarHBondContact OE2-OH 3.24Å; P195-Y197 VanDerWaalsContact C-N 3.34Å; Y197-Q199 PolarHBondContact O-N 3.47Å; Y197-Q199 PolarHBondContact O-NE2 3.29Å
198	C	97.7	Very high	96	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.007	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-54.7	131.1	174.8	-170.2	0	0	0	0	111.6	K79 H83 V161 F203	K79-C198 PolarHBondContact O-SG 3.31Å; H83-C198 HydrophobicContact CB-CB 4.41Å; V161-C198 HydrophobicContact CG1-CB 3.59Å; C198-F203 HydrophobicContact CB-CD1 4.29Å; C198-F203 HydrophobicContact CB-CE1 4.03Å
199	Q	94.9	Very high	96.2	Very high	63 Å²	63	51.5 Å²	51.5	29%	0.294	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-82.8	145.6	177.9	-59.1	-58.3	-65.6	0	0	110.6	K79 P195 Y197 E201 N202	K79-Q199 HydrophobicContact CB-CG 4.39Å; P195-Q199 HydrophobicContact CB-CG 4.33Å; P195-Q199 VanDerWaalsContact CB-NE2 3.29Å; P195-Q199 HydrophobicContact CG-CG 3.86Å; Y197-Q199 PolarHBondContact O-N 3.47Å; Y197-Q199 PolarHBondContact O-NE2 3.29Å; Q199-E201 VanDerWaalsContact CB-CD 3.47Å; Q199-E201 HydrophobicContact CB-CG 4.34Å; Q199-E201 WeakPolarHBondContact CB-OE1 3.11Å; Q199-E201 WeakPolarHBondContact CB-OE2 3.43Å; Q199-E201 PolarHBondContact O-N 2.8Å; Q199-E201 VanDerWaalsContact O-N 3.11Å; Q199-N202 PolarHBondContact O-N 3.41Å
200	P	95.6	Very high	96.5	Very high	74 Å²	74	46.4 Å²	46.4	48%	0.481	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-53.5	-35.9	-175.4	-28.6	36	0	0	0	115.2	N202 F203	P200-N202 PolarHBondContact O-N 3.08Å; P200-N202 VanDerWaalsContact O-N 3.16Å; P200-F203 VanDerWaalsContact CA-CE2 3.44Å; P200-F203 HydrophobicContact CB-CD2 4.17Å; P200-F203 HydrophobicContact CB-CE2 3.8Å; P200-F203 HydrophobicContact CB-CZ 4.23Å; P200-F203 HydrophobicContact CG-CE2 4.15Å; P200-F203 HydrophobicContact CG-CZ 4.18Å; P200-F203 WeakPolarHBondContact O-CD2 3.35Å; P200-F203 WeakPolarHBondContact O-CG 3.3Å; P200-F203 PolarHBondContact O-N 3.02Å
201	E	96.1	Very high	96.9	Very high	112 Å²	112	42.6 Å²	42.6	52%	0.523	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-67	-11.2	177.6	64.5	-91.9	-151.3	0	0	114.6	Q199 K205	Q199-E201 VanDerWaalsContact CB-CD 3.47Å; Q199-E201 HydrophobicContact CB-CG 4.34Å; Q199-E201 WeakPolarHBondContact CB-OE1 3.11Å; Q199-E201 WeakPolarHBondContact CB-OE2 3.43Å; Q199-E201 PolarHBondContact O-N 2.8Å; Q199-E201 VanDerWaalsContact O-N 3.11Å; E201-K205 WeakPolarHBondContact O-CD 3.33Å; E201-K205 WeakPolarHBondContact O-CE 3.08Å; E201-K205 PolarHBondContact O-NZ 3.06Å
202	N	97.3	Very high	97	Very high	17 Å²	17	44.8 Å²	44.8	9%	0.091	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-106.8	-8.2	179.4	-64.4	-32.9	0	0	0	113.2	K79 Q199 P200 D204 K205 I206	K79-N202 PolarHBondContact N-ND2 3.37Å; K79-N202 PolarHBondContact O-ND2 2.87Å; Q199-N202 PolarHBondContact O-N 3.41Å; P200-N202 PolarHBondContact O-N 3.08Å; P200-N202 VanDerWaalsContact O-N 3.16Å; N202-D204 VanDerWaalsContact C-N 3.29Å; N202-D204 PolarHBondContact O-N 2.93Å; N202-K205 PolarHBondContact O-N 2.89Å; N202-K205 VanDerWaalsContact O-N 3.14Å; N202-I206 HydrophobicContact CB-CD1 4.15Å; N202-I206 HydrophobicContact CB-CG1 4.36Å; N202-I206 PolarHBondContact O-N 3.21Å; N202-I206 VanDerWaalsContact O-N 3.12Å
203	F	97.1	Very high	97.1	Very high	21 Å²	21	46.9 Å²	46.9	9%	0.092	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-46.3	-178.8	-67.3	-23	0	0	0	112.6	R158 V161 K162 V165 C198 P200	R158-F203 WeakPolarHBondContact CD-O 3.49Å; R158-F203 WeakPolarHBondContact CG-O 3.47Å; R158-F203 PolarHBondContact NE-O 3.17Å; V161-F203 HydrophobicContact CG1-CD1 4.11Å; V161-F203 HydrophobicContact CG1-CE1 3.89Å; K162-F203 HydrophobicContact CB-CE2 4.43Å; K162-F203 HydrophobicContact CD-CD2 4.21Å; K162-F203 HydrophobicContact CG-CB 4.37Å; K162-F203 HydrophobicContact CG-CD1 4.31Å; K162-F203 HydrophobicContact CG-CD2 3.52Å; K162-F203 HydrophobicContact CG-CE2 3.71Å; K162-F203 HydrophobicContact CG-CG 3.84Å; K162-F203 HydrophobicContact CG-CZ 4.21Å; V165-F203 HydrophobicContact CB-CZ 4.09Å; V165-F203 HydrophobicContact CG1-CZ 4.18Å; V165-F203 HydrophobicContact CG2-CE1 4.21Å; V165-F203 HydrophobicContact CG2-CZ 4.15Å; C198-F203 HydrophobicContact CB-CD1 4.29Å; C198-F203 HydrophobicContact CB-CE1 4.03Å; P200-F203 VanDerWaalsContact CA-CE2 3.44Å; P200-F203 HydrophobicContact CB-CD2 4.17Å; P200-F203 HydrophobicContact CB-CE2 3.8Å; P200-F203 HydrophobicContact CB-CZ 4.23Å; P200-F203 HydrophobicContact CG-CE2 4.15Å; P200-F203 HydrophobicContact CG-CZ 4.18Å; P200-F203 WeakPolarHBondContact O-CD2 3.35Å; P200-F203 WeakPolarHBondContact O-CG 3.3Å; P200-F203 PolarHBondContact O-N 3.02Å
204	D	96	Very high	97.1	Very high	121 Å²	121	46.8 Å²	46.8	65%	0.647	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-1.9	-177	-52.2	-47.9	0	0	0	112.9	R158 K162 N202	R158-D204 WeakPolarHBondContact CD-OD1 3.23Å; K162-D204 IonicContact NZ-OD1 3.28Å; K162-D204 PolarHBondContact NZ-OD1 2.91Å; N202-D204 VanDerWaalsContact C-N 3.29Å; N202-D204 PolarHBondContact O-N 2.93Å
205	K	96.1	Very high	97.1	Very high	126 Å²	126	47.1 Å²	47.1	55%	0.548	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-35.9	179.2	-65.3	-178	-173.9	144.7	0	113.2	E201 N202 D207	E201-K205 WeakPolarHBondContact O-CD 3.33Å; E201-K205 WeakPolarHBondContact O-CE 3.08Å; E201-K205 PolarHBondContact O-NZ 3.06Å; N202-K205 PolarHBondContact O-N 2.89Å; N202-K205 VanDerWaalsContact O-N 3.14Å; K205-D207 PolarHBondContact O-N 2.85Å
206	I	97.8	Very high	96.9	Very high	1 Å²	1	54 Å²	54	1%	0.005	27%	0.269	C	S	.	.			trans	-65.4	119.3	-178.5	-70.4	168.5	0	0	0	109	P78 I81 F84 N202 L211	P78-I206 HydrophobicContact CB-CD1 4.29Å; P78-I206 HydrophobicContact CB-CG1 3.7Å; P78-I206 HydrophobicContact CG-CG1 4.36Å; I81-I206 HydrophobicContact CD1-CB 4.46Å; I81-I206 HydrophobicContact CD1-CD1 4.2Å; I81-I206 HydrophobicContact CD1-CG1 3.98Å; I81-I206 HydrophobicContact CD1-CG2 3.72Å; F84-I206 HydrophobicContact CB-CG2 4.49Å; F84-I206 HydrophobicContact CD1-CG2 4.14Å; F84-I206 HydrophobicContact CD2-CB 4.39Å; F84-I206 HydrophobicContact CD2-CD1 3.65Å; F84-I206 HydrophobicContact CD2-CG2 4.1Å; F84-I206 HydrophobicContact CE1-CG2 4.36Å; F84-I206 HydrophobicContact CE2-CB 4.18Å; F84-I206 HydrophobicContact CE2-CD1 3.69Å; F84-I206 HydrophobicContact CE2-CG1 4.5Å; F84-I206 HydrophobicContact CE2-CG2 4.33Å; F84-I206 HydrophobicContact CG-CG2 4Å; F84-I206 HydrophobicContact CZ-CB 4.29Å; F84-I206 HydrophobicContact CZ-CG2 4.44Å; N202-I206 HydrophobicContact CB-CD1 4.15Å; N202-I206 HydrophobicContact CB-CG1 4.36Å; N202-I206 PolarHBondContact O-N 3.21Å; N202-I206 VanDerWaalsContact O-N 3.12Å; I206-L211 HydrophobicContact CG2-CD2 3.99Å; I206-L211 HydrophobicContact CG2-CG 4.13Å
207	D	96.7	Very high	96.7	Very high	75 Å²	75	54.5 Å²	54.5	40%	0.401	28%	0.277	S	S	.	.			trans	-120.7	179.9	-180	76.4	15.1	0	0	0	112.6	K205 A209 D210 L211	K205-D207 PolarHBondContact O-N 2.85Å; D207-A209 VanDerWaalsContact C-N 3.28Å; D207-A209 PolarHBondContact O-N 2.82Å; D207-A209 WeakPolarHBondContact OD1-CA 3.43Å; D207-A209 WeakPolarHBondContact OD1-CB 2.94Å; D207-A209 PolarHBondContact OD1-N 3.21Å; D207-D210 PolarHBondContact N-OD2 2.98Å; D207-D210 PolarHBondContact O-N 3.28Å; D207-D210 PolarHBondContact OD1-N 2.85Å; D207-L211 VanDerWaalsContact O-CG 3.3Å; D207-L211 WeakPolarHBondContact O-CG 3.47Å; D207-L211 PolarHBondContact O-N 2.64Å
208	K	97.6	Very high	96.5	Very high	71 Å²	71	54.3 Å²	54.3	31%	0.309	28%	0.277	S	S	.	.	H	α-helix	trans	-58.2	-39.1	177.9	-172	170.9	-176.2	163.1	0	112.5	F149 I154 F212	F149-K208 WeakPolarHBondContact O-CD 3.35Å; F149-K208 WeakPolarHBondContact O-CE 3.34Å; F149-K208 PolarHBondContact O-NZ 3.28Å; I154-K208 HydrophobicContact CD1-CB 3.74Å; I154-K208 HydrophobicContact CD1-CG 4.33Å; K208-F212 HydrophobicContact CD-CE2 4.2Å; K208-F212 HydrophobicContact CG-CD2 3.67Å; K208-F212 HydrophobicContact CG-CE2 3.61Å; K208-F212 VanDerWaalsContact O-CD2 3.23Å; K208-F212 WeakPolarHBondContact O-CD2 3.15Å; K208-F212 PolarHBondContact O-N 3.44Å; K208-F212 VanDerWaalsContact O-N 3.11Å
209	A	97.8	Very high	96.2	Very high	60 Å²	60	55.1 Å²	55.1	50%	0.496	28%	0.279	S	S	.	.	H	α-helix	trans	-67.8	-41	-176.7	0	0	0	0	0	111.3	D207 S213	D207-A209 VanDerWaalsContact C-N 3.28Å; D207-A209 PolarHBondContact O-N 2.82Å; D207-A209 WeakPolarHBondContact OD1-CA 3.43Å; D207-A209 WeakPolarHBondContact OD1-CB 2.94Å; D207-A209 PolarHBondContact OD1-N 3.21Å; A209-S213 WeakPolarHBondContact O-CB 3.18Å; A209-S213 PolarHBondContact O-N 2.86Å
210	D	97.9	Very high	95.8	Very high	42 Å²	42	53.8 Å²	53.8	23%	0.225	28%	0.276	C	S	.	.	H	α-helix	trans	-60.7	-49.4	175.7	-67.8	-38.6	0	0	0	111.7	I81 D207 F212 S213 F214	I81-D210 HydrophobicContact CD1-CB 3.74Å; D207-D210 PolarHBondContact N-OD2 2.98Å; D207-D210 PolarHBondContact O-N 3.28Å; D207-D210 PolarHBondContact OD1-N 2.85Å; D210-F212 PolarHBondContact O-N 2.82Å; D210-S213 WeakPolarHBondContact O-CB 3.41Å; D210-S213 PolarHBondContact O-N 2.91Å; D210-F214 PolarHBondContact O-N 3.33Å
211	L	98.1	Very high	95.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-57.6	-52	179.7	-65.5	168.7	0	0	0	111.1	I81 F84 L85 L88 F149 I154 I206 D207 S213 F214 M215	I81-L211 HydrophobicContact CD1-CD2 4.09Å; I81-L211 HydrophobicContact CG2-CD2 4.24Å; F84-L211 HydrophobicContact CB-CD2 3.75Å; L85-L211 HydrophobicContact CD2-CB 4.38Å; L85-L211 HydrophobicContact CD2-CD2 4Å; L85-L211 HydrophobicContact CG-CD2 4.09Å; L88-L211 HydrophobicContact CD1-CD1 3.51Å; L88-L211 HydrophobicContact CD1-CD2 4.37Å; F149-L211 HydrophobicContact CD2-CB 4.28Å; F149-L211 HydrophobicContact CD2-CD1 4.11Å; F149-L211 HydrophobicContact CE2-CB 4.27Å; I154-L211 HydrophobicContact CD1-CD1 4.15Å; I154-L211 HydrophobicContact CG1-CD1 4.21Å; I206-L211 HydrophobicContact CG2-CD2 3.99Å; I206-L211 HydrophobicContact CG2-CG 4.13Å; D207-L211 VanDerWaalsContact O-CG 3.3Å; D207-L211 WeakPolarHBondContact O-CG 3.47Å; D207-L211 PolarHBondContact O-N 2.64Å; L211-S213 VanDerWaalsContact C-N 3.31Å; L211-S213 PolarHBondContact O-N 2.83Å; L211-F214 PolarHBondContact O-N 2.78Å; L211-M215 WeakPolarHBondContact O-CG 3.35Å; L211-M215 PolarHBondContact O-N 2.79Å
212	F	97.7	Very high	94.4	Very high	48 Å²	48	49.8 Å²	49.8	21%	0.211	26%	0.256	C	S	.	.	H	α-helix	trans	-68.4	-29.9	178.4	-79.6	-69.4	0	0	0	113	P147 F149 K208 D210 R216	P147-F212 HydrophobicContact CG-CE1 4.01Å; P147-F212 HydrophobicContact CG-CZ 4.38Å; P147-F212 WeakPolarHBondContact O-CZ 3.33Å; F149-F212 HydrophobicContact CB-CE2 4.48Å; F149-F212 HydrophobicContact CD2-CD2 4.47Å; F149-F212 AromaticContact CD2-CE2 3.82Å; F149-F212 HydrophobicContact CD2-CE2 3.82Å; F149-F212 AromaticContact CD2-CZ 3.9Å; F149-F212 HydrophobicContact CD2-CZ 3.9Å; F149-F212 HydrophobicContact CE2-CZ 4.34Å; F149-F212 HydrophobicContact CG-CE2 4.48Å; F149-F212 HydrophobicContact CG-CZ 4.49Å; K208-F212 HydrophobicContact CD-CE2 4.2Å; K208-F212 HydrophobicContact CG-CD2 3.67Å; K208-F212 HydrophobicContact CG-CE2 3.61Å; K208-F212 VanDerWaalsContact O-CD2 3.23Å; K208-F212 WeakPolarHBondContact O-CD2 3.15Å; K208-F212 PolarHBondContact O-N 3.44Å; K208-F212 VanDerWaalsContact O-N 3.11Å; D210-F212 PolarHBondContact O-N 2.82Å; F212-R216 WeakPolarHBondContact O-CB 3.42Å; F212-R216 VanDerWaalsContact O-CG 3.26Å; F212-R216 WeakPolarHBondContact O-CG 3.28Å; F212-R216 PolarHBondContact O-N 2.99Å; F212-R216 PolarHBondContact O-NE 3.03Å
213	S	97.2	Very high	93.7	Very high	44 Å²	44	49.9 Å²	49.9	31%	0.308	26%	0.256	S	S	.	.	H	α-helix	trans	-64.3	-44.5	175	-170.1	0	0	0	0	111.1	A209 D210 L211 T217	A209-S213 WeakPolarHBondContact O-CB 3.18Å; A209-S213 PolarHBondContact O-N 2.86Å; D210-S213 WeakPolarHBondContact O-CB 3.41Å; D210-S213 PolarHBondContact O-N 2.91Å; L211-S213 VanDerWaalsContact C-N 3.31Å; L211-S213 PolarHBondContact O-N 2.83Å; S213-T217 WeakPolarHBondContact O-CB 3.47Å; S213-T217 PolarHBondContact O-N 2.9Å; S213-T217 VanDerWaalsContact O-N 3.15Å; S213-T217 PolarHBondContact O-OG1 3.35Å
214	F	97.3	Very high	92.9	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.3	-48.5	174.5	-176.7	-87.9	0	0	0	111.7	A69 E74 F77 I81 L85 D210 L211 R216 T217 Y218 Y219	A69-F214 HydrophobicContact CB-CE1 4.08Å; A69-F214 HydrophobicContact CB-CZ 4.25Å; E74-F214 HydrophobicContact CG-CD2 4.39Å; E74-F214 HydrophobicContact CG-CE2 3.73Å; E74-F214 HydrophobicContact CG-CZ 4.45Å; F77-F214 HydrophobicContact CD1-CB 4.05Å; F77-F214 HydrophobicContact CD1-CD2 4.3Å; F77-F214 AromaticContact CD2-CD2 3.88Å; F77-F214 HydrophobicContact CD2-CD2 3.88Å; F77-F214 HydrophobicContact CE1-CB 3.89Å; F77-F214 HydrophobicContact CE1-CD2 4.46Å; F77-F214 HydrophobicContact CE2-CD2 4.06Å; F77-F214 HydrophobicContact CG-CD2 4.01Å; F77-F214 HydrophobicContact CZ-CB 4.3Å; F77-F214 HydrophobicContact CZ-CD2 4.35Å; I81-F214 HydrophobicContact CB-CD2 4.36Å; I81-F214 HydrophobicContact CB-CG 4.42Å; I81-F214 HydrophobicContact CG2-CB 3.55Å; I81-F214 HydrophobicContact CG2-CD1 3.73Å; I81-F214 HydrophobicContact CG2-CD2 3.82Å; I81-F214 HydrophobicContact CG2-CE1 4.33Å; I81-F214 HydrophobicContact CG2-CE2 4.43Å; I81-F214 HydrophobicContact CG2-CG 3.42Å; I81-F214 VanDerWaalsContact CG2-CG 3.42Å; L85-F214 HydrophobicContact CD1-CD1 3.55Å; L85-F214 HydrophobicContact CD1-CE1 3.86Å; D210-F214 PolarHBondContact O-N 3.33Å; L211-F214 PolarHBondContact O-N 2.78Å; F214-R216 PolarHBondContact O-N 2.87Å; F214-T217 PolarHBondContact O-N 3.06Å; F214-Y218 HydrophobicContact CD1-CD2 4.06Å; F214-Y218 AromaticContact CD2-CD2 3.49Å; F214-Y218 HydrophobicContact CD2-CD2 3.49Å; F214-Y218 VanDerWaalsContact CD2-CD2 3.49Å; F214-Y218 AromaticContact CD2-CE2 3.58Å; F214-Y218 HydrophobicContact CD2-CE2 3.58Å; F214-Y218 AromaticContact CE1-CD2 3.98Å; F214-Y218 HydrophobicContact CE1-CD2 3.98Å; F214-Y218 AromaticContact CE2-CD2 3.37Å; F214-Y218 HydrophobicContact CE2-CD2 3.37Å; F214-Y218 AromaticContact CE2-CE2 3.47Å; F214-Y218 HydrophobicContact CE2-CE2 3.47Å; F214-Y218 VanDerWaalsContact CE2-CE2 3.47Å; F214-Y218 AromaticContact CG-CD2 3.84Å; F214-Y218 HydrophobicContact CG-CD2 3.84Å; F214-Y218 HydrophobicContact CG-CE2 4.34Å; F214-Y218 AromaticContact CZ-CD2 3.64Å; F214-Y218 HydrophobicContact CZ-CD2 3.64Å; F214-Y218 HydrophobicContact CZ-CE2 4.17Å; F214-Y218 HydrophobicContact CZ-CG 4.46Å; F214-Y218 WeakPolarHBondContact O-CD2 3.21Å; F214-Y218 PolarHBondContact O-N 2.74Å; F214-Y219 HydrophobicContact CD1-CE2 4.5Å; F214-Y219 HydrophobicContact CE1-CE2 4.34Å
215	M	96.5	Very high	91.8	Very high	11 Å²	11	43.3 Å²	43.3	5%	0.054	22%	0.221	C	C	.	.	H	α-helix	trans	-59.5	-46.1	177.9	-67.7	-178.6	74.2	0	0	111.6	L85 L144 P147 F149 L211 T217 Y218 Y219	L85-M215 HydrophobicContact CD1-CG 4.05Å; L85-M215 HydrophobicContact CD2-CG 3.89Å; L85-M215 HydrophobicContact CD2-SD 3.63Å; L144-M215 WeakPolarHBondContact O-CE 3.25Å; P147-M215 HydrophobicContact CG-CE 3.71Å; P147-M215 HydrophobicContact CG-SD 4.11Å; F149-M215 HydrophobicContact CE2-SD 3.7Å; F149-M215 HydrophobicContact CZ-SD 3.96Å; L211-M215 WeakPolarHBondContact O-CG 3.35Å; L211-M215 PolarHBondContact O-N 2.79Å; M215-T217 PolarHBondContact O-N 3.28Å; M215-Y218 PolarHBondContact O-N 3.17Å; M215-Y219 HydrophobicContact CB-CD2 4.23Å; M215-Y219 HydrophobicContact CB-CG 4.22Å; M215-Y219 HydrophobicContact CE-CD1 3.64Å; M215-Y219 HydrophobicContact CE-CE1 3.57Å; M215-Y219 HydrophobicContact CE-CG 4.36Å; M215-Y219 HydrophobicContact CG-CD1 4.46Å; M215-Y219 HydrophobicContact CG-CD2 4.19Å; M215-Y219 HydrophobicContact CG-CE1 4.39Å; M215-Y219 HydrophobicContact CG-CE2 4.13Å; M215-Y219 HydrophobicContact CG-CG 4.37Å; M215-Y219 WeakPolarHBondContact O-CA 3.46Å; M215-Y219 WeakPolarHBondContact O-CB 3.48Å; M215-Y219 PolarHBondContact O-N 3.46Å
216	R	94.4	Very high	90.9	Very high	169 Å²	169	39.1 Å²	39.1	64%	0.638	21%	0.206	S	C	*	.	H	α-helix	trans	-59.1	-30.8	175.9	-77.6	-174.6	-62.9	-98.9	-1.7	113.3	F212 F214	F212-R216 WeakPolarHBondContact O-CB 3.42Å; F212-R216 VanDerWaalsContact O-CG 3.26Å; F212-R216 WeakPolarHBondContact O-CG 3.28Å; F212-R216 PolarHBondContact O-N 2.99Å; F212-R216 PolarHBondContact O-NE 3.03Å; F214-R216 PolarHBondContact O-N 2.87Å
217	T	93.4	Very high	88.4	Confident	66 Å²	66	39.1 Å²	39.1	41%	0.405	21%	0.207	S	C	.	.	H	α-helix	trans	-81.3	-38.3	-178.2	-54.8	0	0	0	0	112	S213 F214 M215	S213-T217 WeakPolarHBondContact O-CB 3.47Å; S213-T217 PolarHBondContact O-N 2.9Å; S213-T217 VanDerWaalsContact O-N 3.15Å; S213-T217 PolarHBondContact O-OG1 3.35Å; F214-T217 PolarHBondContact O-N 3.06Å; M215-T217 PolarHBondContact O-N 3.28Å
218	Y	93.1	Very high	85.8	Confident	19 Å²	19	35.9 Å²	35.9	8%	0.075	19%	0.189	C	C	.	.	H	α-helix	trans	-118.5	-15.5	-168.1	-59.4	-59.8	0	0	0	115.6	V67 Y73 F77 F214 M215 T220 R223	V67-Y218 WeakPolarHBondContact CG1-O 3.24Å; Y73-Y218 HydrophobicContact CD1-CE1 4.46Å; Y73-Y218 HydrophobicContact CG-CE1 4.29Å; Y73-Y218 WeakPolarHBondContact O-CE2 3.41Å; Y73-Y218 PolarHBondContact O-OH 3.09Å; F77-Y218 HydrophobicContact CD2-CE2 4.23Å; F77-Y218 AromaticContact CE2-CE2 3.57Å; F77-Y218 HydrophobicContact CE2-CE2 3.57Å; F77-Y218 HydrophobicContact CZ-CE2 4.24Å; F214-Y218 HydrophobicContact CD1-CD2 4.06Å; F214-Y218 AromaticContact CD2-CD2 3.49Å; F214-Y218 HydrophobicContact CD2-CD2 3.49Å; F214-Y218 VanDerWaalsContact CD2-CD2 3.49Å; F214-Y218 AromaticContact CD2-CE2 3.58Å; F214-Y218 HydrophobicContact CD2-CE2 3.58Å; F214-Y218 AromaticContact CE1-CD2 3.98Å; F214-Y218 HydrophobicContact CE1-CD2 3.98Å; F214-Y218 AromaticContact CE2-CD2 3.37Å; F214-Y218 HydrophobicContact CE2-CD2 3.37Å; F214-Y218 AromaticContact CE2-CE2 3.47Å; F214-Y218 HydrophobicContact CE2-CE2 3.47Å; F214-Y218 VanDerWaalsContact CE2-CE2 3.47Å; F214-Y218 AromaticContact CG-CD2 3.84Å; F214-Y218 HydrophobicContact CG-CD2 3.84Å; F214-Y218 HydrophobicContact CG-CE2 4.34Å; F214-Y218 AromaticContact CZ-CD2 3.64Å; F214-Y218 HydrophobicContact CZ-CD2 3.64Å; F214-Y218 HydrophobicContact CZ-CE2 4.17Å; F214-Y218 HydrophobicContact CZ-CG 4.46Å; F214-Y218 WeakPolarHBondContact O-CD2 3.21Å; F214-Y218 PolarHBondContact O-N 2.74Å; M215-Y218 PolarHBondContact O-N 3.17Å; Y218-T220 PolarHBondContact O-N 3.5Å; Y218-R223 VanDerWaalsContact O-CB 3.28Å; Y218-R223 WeakPolarHBondContact O-CB 3.35Å; Y218-R223 WeakPolarHBondContact O-CD 3.42Å
219	Y	92.3	Very high	82.8	Confident	17 Å²	17	36 Å²	36	7%	0.067	19%	0.191	C	C	.	.			trans	-91.2	48.2	174.8	-71.8	-138.7	0	0	0	109.9	V67 A69 L85 L122 Y124 L144 F214 M215	V67-Y219 HydrophobicContact CG1-CD2 3.85Å; V67-Y219 HydrophobicContact CG1-CE2 4.15Å; V67-Y219 HydrophobicContact CG1-CG 4.12Å; V67-Y219 HydrophobicContact CG2-CD1 4.32Å; V67-Y219 HydrophobicContact CG2-CE1 4.21Å; A69-Y219 HydrophobicContact CB-CE2 4.3Å; L85-Y219 HydrophobicContact CD1-CE2 4.27Å; L122-Y219 WeakPolarHBondContact CD2-OH 2.74Å; Y124-Y219 HydrophobicContact CE2-CE1 4.28Å; Y124-Y219 PolarHBondContact OH-OH 3.47Å; L144-Y219 HydrophobicContact CD2-CD1 3.94Å; L144-Y219 HydrophobicContact CD2-CE1 3.58Å; F214-Y219 HydrophobicContact CD1-CE2 4.5Å; F214-Y219 HydrophobicContact CE1-CE2 4.34Å; M215-Y219 HydrophobicContact CB-CD2 4.23Å; M215-Y219 HydrophobicContact CB-CG 4.22Å; M215-Y219 HydrophobicContact CE-CD1 3.64Å; M215-Y219 HydrophobicContact CE-CE1 3.57Å; M215-Y219 HydrophobicContact CE-CG 4.36Å; M215-Y219 HydrophobicContact CG-CD1 4.46Å; M215-Y219 HydrophobicContact CG-CD2 4.19Å; M215-Y219 HydrophobicContact CG-CE1 4.39Å; M215-Y219 HydrophobicContact CG-CE2 4.13Å; M215-Y219 HydrophobicContact CG-CG 4.37Å; M215-Y219 WeakPolarHBondContact O-CA 3.46Å; M215-Y219 WeakPolarHBondContact O-CB 3.48Å; M215-Y219 PolarHBondContact O-N 3.46Å
220	T	86.6	Confident	79.9	Confident	36 Å²	36	41.3 Å²	41.3	22%	0.221	20%	0.203	C	C	.	.			trans	-86.1	151.7	175.9	60.5	0	0	0	0	109.8	Y218 N222 R223 I224	Y218-T220 PolarHBondContact O-N 3.5Å; T220-N222 VanDerWaalsContact C-N 3.27Å; T220-N222 WeakPolarHBondContact CB-OD1 3.47Å; T220-N222 PolarHBondContact O-N 3.06Å; T220-N222 PolarHBondContact OG1-OD1 2.81Å; T220-R223 WeakPolarHBondContact O-CA 3.28Å; T220-R223 WeakPolarHBondContact O-CB 3.29Å; T220-R223 PolarHBondContact O-N 3.24Å; T220-R223 WeakPolarHBondContact OG1-CD 3.28Å; T220-R223 WeakPolarHBondContact OG1-CG 3.5Å; T220-I224 WeakPolarHBondContact O-CG1 3.34Å; T220-I224 PolarHBondContact O-N 3.01Å
221	P	83.1	Confident	77.2	Confident	48 Å²	48	40.7 Å²	40.7	31%	0.312	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-49.5	-46.1	178.8	-34	39.3	0	0	0	113.9	N47 G48 V49 R223 I224	N47-P221 WeakPolarHBondContact O-CB 3.37Å; G48-P221 CarbonylContact O-C 3.57Å; V49-P221 HydrophobicContact CG2-CB 3.8Å; P221-R223 PolarHBondContact O-N 3.34Å; P221-I224 PolarHBondContact O-N 2.95Å
222	N	78.9	Confident	74.5	Confident	53 Å²	53	50.5 Å²	50.5	28%	0.283	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-73.2	19.6	173.9	74.6	-60.8	0	0	0	113.5	T220 M231 R232	T220-N222 VanDerWaalsContact C-N 3.27Å; T220-N222 WeakPolarHBondContact CB-OD1 3.47Å; T220-N222 PolarHBondContact O-N 3.06Å; T220-N222 PolarHBondContact OG1-OD1 2.81Å; N222-M231 HydrophobicContact CB-CG 4.5Å; N222-M231 WeakPolarHBondContact O-CB 3.43Å; N222-M231 WeakPolarHBondContact O-CG 3.32Å; N222-R232 PolarHBondContact ND2-O 3.43Å; N222-R232 VanDerWaalsContact ND2-O 3.11Å
223	R	82.4	Confident	72.4	Confident	20 Å²	20	49.9 Å²	49.9	8%	0.075	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-127.1	1.3	166.2	-73.9	179.1	176.7	-109.7	7	111.6	V67 N68 Y218 T220 P221 M231 D234	V67-R223 CarbonylContact C-O 3.05Å; V67-R223 WeakPolarHBondContact CA-O 3.4Å; N68-R223 HydrophobicContact CB-CB 4.28Å; N68-R223 HydrophobicContact CB-CG 4.48Å; N68-R223 PolarHBondContact N-O 3.25Å; N68-R223 PolarHBondContact O-NH1 3.13Å; Y218-R223 VanDerWaalsContact O-CB 3.28Å; Y218-R223 WeakPolarHBondContact O-CB 3.35Å; Y218-R223 WeakPolarHBondContact O-CD 3.42Å; T220-R223 WeakPolarHBondContact O-CA 3.28Å; T220-R223 WeakPolarHBondContact O-CB 3.29Å; T220-R223 PolarHBondContact O-N 3.24Å; T220-R223 WeakPolarHBondContact OG1-CD 3.28Å; T220-R223 WeakPolarHBondContact OG1-CG 3.5Å; P221-R223 PolarHBondContact O-N 3.34Å; R223-M231 WeakPolarHBondContact CA-SD 3.38Å; R223-M231 PolarHBondContact N-SD 3.21Å; R223-M231 WeakPolarHBondContact O-CE 3.46Å; R223-D234 VanDerWaalsContact NH2-CB 3.31Å
224	I	80	Confident	70.6	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	117.1	-171.6	-63.6	172.9	0	0	0	109.2	T50 A65 V67 F145 T220 P221 V226 M231	T50-I224 WeakPolarHBondContact CB-O 3.47Å; T50-I224 PolarHBondContact N-O 3.45Å; A65-I224 HydrophobicContact CB-CG2 4.32Å; V67-I224 HydrophobicContact CG1-CG1 4.12Å; V67-I224 HydrophobicContact CG2-CG1 4.18Å; F145-I224 HydrophobicContact CE1-CD1 3.28Å; F145-I224 HydrophobicContact CZ-CD1 3.33Å; T220-I224 WeakPolarHBondContact O-CG1 3.34Å; T220-I224 PolarHBondContact O-N 3.01Å; P221-I224 PolarHBondContact O-N 2.95Å; I224-V226 HydrophobicContact CG2-CG2 4.25Å; I224-M231 PolarHBondContact N-SD 3.11Å
225	I	72.8	Confident	69.1	Low	2 Å²	2	57.2 Å²	57.2	1%	0.01	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	111.8	172.5	-82	156.4	0	0	0	107.8	T50 A65 V66 G227 M231 T400 I403 L404	T50-I225 HydrophobicContact CG2-CB 4.39Å; T50-I225 HydrophobicContact CG2-CD1 4.4Å; T50-I225 HydrophobicContact CG2-CG1 3.4Å; T50-I225 VanDerWaalsContact CG2-CG1 3.4Å; A65-I225 CarbonylContact C-O 3.6Å; A65-I225 VanDerWaalsContact CA-O 3.3Å; A65-I225 WeakPolarHBondContact CA-O 3.45Å; V66-I225 PolarHBondContact N-O 2.69Å; V66-I225 PolarHBondContact O-N 3.36Å; I225-G227 PolarHBondContact O-N 3.44Å; I225-M231 HydrophobicContact CD1-CE 3.8Å; I225-M231 HydrophobicContact CG1-CE 4.15Å; I225-M231 HydrophobicContact CG1-SD 4.35Å; I225-T400 HydrophobicContact CG2-CG2 3.89Å; I225-I403 HydrophobicContact CD1-CB 4.42Å; I225-I403 HydrophobicContact CD1-CG2 3.48Å; I225-I403 VanDerWaalsContact CD1-CG2 3.48Å; I225-I403 HydrophobicContact CG1-CG2 3.94Å; I225-I403 HydrophobicContact CG2-CG2 4.1Å; I225-L404 HydrophobicContact CD1-CB 4.13Å; I225-L404 HydrophobicContact CD1-CD2 3.34Å; I225-L404 HydrophobicContact CD1-CG 3.36Å
226	V	78	Confident	68	Low	38 Å²	38	59.1 Å²	59.1	23%	0.23	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	43.4	156	-169.7	0	0	0	0	107	V49 T50 V51 A52 A65 L137 I224	V49-V226 HydrophobicContact CG1-CB 4.34Å; V49-V226 HydrophobicContact CG1-CG2 3.68Å; T50-V226 CarbonylContact O-C 3.43Å; T50-V226 VanDerWaalsContact O-CA 3.26Å; T50-V226 WeakPolarHBondContact O-CA 3.45Å; T50-V226 VanDerWaalsContact O-CB 3.32Å; T50-V226 WeakPolarHBondContact O-CB 3.42Å; T50-V226 PolarHBondContact O-N 2.94Å; V51-V226 CarbonylContact C-O 3.59Å; V51-V226 WeakPolarHBondContact CA-O 3.47Å; V51-V226 HydrophobicContact CG2-CB 4.22Å; A52-V226 PolarHBondContact N-O 3.47Å; A65-V226 HydrophobicContact CB-CG2 4.28Å; L137-V226 HydrophobicContact CD1-CG1 4.43Å; I224-V226 HydrophobicContact CG2-CG2 4.25Å
227	G	45.6	Very low	67.5	Low	2 Å²	2	57.2 Å²	57.2	2%	0.021	28%	0.283	C	S	.	.	S	Bend	trans	76.9	154.8	-158.1	0	0	0	0	0	112.8	T50 V51 A52 I225	T50-G227 CarbonylContact C-O 3.58Å; T50-G227 WeakPolarHBondContact CG2-O 3.36Å; V51-G227 CarbonylContact C-O 3.48Å; V51-G227 WeakPolarHBondContact CA-O 3.43Å; V51-G227 PolarHBondContact N-O 3.18Å; A52-G227 VanDerWaalsContact CA-CA 3.49Å; A52-G227 PolarHBondContact N-O 3.25Å; I225-G227 PolarHBondContact O-N 3.44Å
228	E	42.4	Very low	67.1	Low	6 Å²	6	54.6 Å²	54.6	3%	0.028	27%	0.268	C	S	.	.			trans	-36.7	161	-167.6	-159.1	150.8	-123	0	0	126.9	V42 T50 V51 A52 I403 M408	V42-E228 HydrophobicContact CB-CB 4.06Å; V42-E228 HydrophobicContact CB-CG 4.2Å; V42-E228 HydrophobicContact CG1-CB 3.57Å; V42-E228 HydrophobicContact CG1-CG 3.49Å; V42-E228 VanDerWaalsContact CG1-CG 3.49Å; V42-E228 HydrophobicContact CG2-CB 3.65Å; V42-E228 HydrophobicContact CG2-CG 3.74Å; V42-E228 WeakPolarHBondContact CG2-OE2 3.41Å; T50-E228 CarbonylContact C-O 3.53Å; T50-E228 WeakPolarHBondContact CG2-O 3.43Å; V51-E228 CarbonylContact C-O 3.51Å; V51-E228 PolarHBondContact N-O 3.11Å; V51-E228 VanDerWaalsContact N-O 3.07Å; V51-E228 VanDerWaalsContact O-O 3.09Å; A52-E228 HydrophobicContact CB-CB 3.72Å; E228-I403 HydrophobicContact CB-CB 4.11Å; E228-I403 HydrophobicContact CB-CD1 3.65Å; E228-I403 HydrophobicContact CB-CG1 3.63Å; E228-I403 HydrophobicContact CB-CG2 3.43Å; E228-I403 VanDerWaalsContact CB-CG2 3.43Å; E228-I403 VanDerWaalsContact CD-CG1 3.45Å; E228-I403 HydrophobicContact CG-CB 4.22Å; E228-I403 HydrophobicContact CG-CD1 4.46Å; E228-I403 HydrophobicContact CG-CG1 3.9Å; E228-I403 HydrophobicContact CG-CG2 3.63Å; E228-I403 WeakPolarHBondContact OE1-CA 3.41Å; E228-I403 VanDerWaalsContact OE1-CG1 3.3Å; E228-I403 WeakPolarHBondContact OE1-CG1 3.09Å; E228-M408 WeakPolarHBondContact OE1-CA 3.43Å; E228-M408 PolarHBondContact OE1-N 3.18Å
229	E	34.4	Very low	67	Low	75 Å²	75	60.5 Å²	60.5	35%	0.35	30%	0.296	S	S	.	.			cis	-118	175.1	-1.5	-152	-159.2	143.2	0	0	120.3	V42 I44 T50	V42-E229 HydrophobicContact CG1-CB 3.96Å; I44-E229 HydrophobicContact CD1-CB 3.91Å; I44-E229 HydrophobicContact CG1-CB 4Å; T50-E229 WeakPolarHBondContact CG2-O 3.32Å; T50-E229 PolarHBondContact OG1-O 2.88Å
230	K	35.1	Very low	67	Low	171 Å²	171	60.6 Å²	60.6	74%	0.743	30%	0.297	S	S	*	.			trans	25.4	125.1	166.5	-140.2	173.3	-171.8	173.1	0	123.4
231	M	41.8	Very low	67.4	Low	28 Å²	28	60.4 Å²	60.4	14%	0.138	30%	0.296	C	S	.	.			trans	-138.2	138.2	-166.9	-74.8	-164.6	-39.2	0	0	112	N68 N222 R223 I224 I225 V233 L404	N68-M231 HydrophobicContact CB-CE 3.99Å; N222-M231 HydrophobicContact CB-CG 4.5Å; N222-M231 WeakPolarHBondContact O-CB 3.43Å; N222-M231 WeakPolarHBondContact O-CG 3.32Å; R223-M231 WeakPolarHBondContact CA-SD 3.38Å; R223-M231 PolarHBondContact N-SD 3.21Å; R223-M231 WeakPolarHBondContact O-CE 3.46Å; I224-M231 PolarHBondContact N-SD 3.11Å; I225-M231 HydrophobicContact CD1-CE 3.8Å; I225-M231 HydrophobicContact CG1-CE 4.15Å; I225-M231 HydrophobicContact CG1-SD 4.35Å; M231-V233 VanDerWaalsContact C-N 3.31Å; M231-V233 HydrophobicContact CB-CG2 3.98Å; M231-V233 PolarHBondContact O-N 2.65Å; M231-L404 HydrophobicContact CE-CD2 3.63Å
232	R	42.4	Very low	67.9	Low	206 Å²	206	58.1 Å²	58.1	78%	0.777	28%	0.281	S	S	*	.			trans	-75.7	87.8	165.7	-170.1	179.1	179.9	-173.5	-1.1	108.4	N222	N222-R232 PolarHBondContact ND2-O 3.43Å; N222-R232 VanDerWaalsContact ND2-O 3.11Å
233	V	53.1	Low	68.7	Low	35 Å²	35	56.2 Å²	56.2	21%	0.212	27%	0.273	C	S	.	.			trans	-79.3	161.4	176.2	-173.7	0	0	0	0	108.7	N68 Y73 M231 E235	N68-V233 WeakPolarHBondContact ND2-CG1 3.47Å; N68-V233 WeakPolarHBondContact ND2-CG2 3.49Å; Y73-V233 HydrophobicContact CE1-CG1 4.47Å; Y73-V233 WeakPolarHBondContact OH-CG1 3.21Å; M231-V233 VanDerWaalsContact C-N 3.31Å; M231-V233 HydrophobicContact CB-CG2 3.98Å; M231-V233 PolarHBondContact O-N 2.65Å; V233-E235 PolarHBondContact O-N 3.09Å; V233-E235 VanDerWaalsContact O-N 3.14Å
234	D	58.3	Low	69.3	Low	49 Å²	49	58.8 Å²	58.8	26%	0.262	29%	0.286	S	S	.	.			trans	-55.2	118.7	166.2	173.7	3.4	0	0	0	108.3	Y73 R223 S236	Y73-D234 HydrophobicContact CD1-CB 3.91Å; Y73-D234 WeakPolarHBondContact CD1-OD2 3.48Å; Y73-D234 HydrophobicContact CE1-CB 3.75Å; R223-D234 VanDerWaalsContact NH2-CB 3.31Å; D234-S236 PolarHBondContact O-N 2.85Å; D234-S236 WeakPolarHBondContact OD1-CB 3.32Å; D234-S236 PolarHBondContact OD1-N 2.7Å; D234-S236 PolarHBondContact OD1-OG 2.97Å; D234-S236 PolarHBondContact OD2-OG 2.91Å
235	E	66	Low	70.1	Confident	150 Å²	150	60.7 Å²	60.7	70%	0.701	30%	0.296	S	S	*	.			trans	-77.2	8.2	-176.7	-64.1	176.9	-175.8	0	0	112.6	V233 L237	V233-E235 PolarHBondContact O-N 3.09Å; V233-E235 VanDerWaalsContact O-N 3.14Å; E235-L237 WeakPolarHBondContact O-CG 3.32Å; E235-L237 PolarHBondContact O-N 2.82Å
236	S	75	Confident	71.3	Confident	50 Å²	50	65.1 Å²	65.1	35%	0.35	31%	0.312	S	S	.	.			trans	-58.5	99.8	176	-64.8	0	0	0	0	110.9	R72 D234	R72-S236 PolarHBondContact NH2-O 3.4Å; R72-S236 VanDerWaalsContact NH2-O 3.12Å; D234-S236 PolarHBondContact O-N 2.85Å; D234-S236 WeakPolarHBondContact OD1-CB 3.32Å; D234-S236 PolarHBondContact OD1-N 2.7Å; D234-S236 PolarHBondContact OD1-OG 2.97Å; D234-S236 PolarHBondContact OD2-OG 2.91Å
237	L	82.3	Confident	72.2	Confident	130 Å²	130	66.3 Å²	66.3	68%	0.681	32%	0.317	S	S	*	.			trans	-75.1	132.2	178.4	-60.4	179.2	0	0	0	110.6	E235 Q239 D336	E235-L237 WeakPolarHBondContact O-CG 3.32Å; E235-L237 PolarHBondContact O-N 2.82Å; L237-Q239 PolarHBondContact O-N 2.93Å; L237-D336 WeakPolarHBondContact CA-OD2 3.44Å; L237-D336 HydrophobicContact CD2-CB 3.91Å
238	A	86.1	Confident	74.5	Confident	10 Å²	10	72.1 Å²	72.1	8%	0.083	34%	0.343	C	S	.	.			trans	-71.2	120	169.7	0	0	0	0	0	109.3	Y187 T191 L192 D336	Y187-A238 HydrophobicContact CD1-CB 3.95Å; Y187-A238 HydrophobicContact CE1-CB 3.9Å; T191-A238 VanDerWaalsContact OG1-CA 3.28Å; T191-A238 WeakPolarHBondContact OG1-CA 3.31Å; T191-A238 WeakPolarHBondContact OG1-CB 3.18Å; L192-A238 HydrophobicContact CB-CB 4.45Å; L192-A238 HydrophobicContact CD1-CB 3.59Å; L192-A238 HydrophobicContact CG-CB 3.8Å; A238-D336 WeakPolarHBondContact CB-OD2 2.87Å; A238-D336 PolarHBondContact N-OD2 2.7Å
239	Q	89.9	Confident	76.9	Confident	144 Å²	144	75 Å²	75	67%	0.673	36%	0.356	S	S	*	.			trans	-101.8	116	173.8	-173.9	177	18.4	0	0	109	Y187 L237 T241	Y187-Q239 WeakPolarHBondContact CD1-O 3.32Å; L237-Q239 PolarHBondContact O-N 2.93Å; Q239-T241 HydrophobicContact CG-CG2 4.08Å; Q239-T241 PolarHBondContact O-N 3.37Å
240	Y	93.7	Very high	79.4	Confident	19 Å²	19	76 Å²	76	8%	0.075	36%	0.364	C	S	.	.			trans	-70.8	127.5	169.3	-170.7	-80.5	0	0	0	109.3	A186 Y187 G270 F271 E272 I339 R438 S440	A186-Y240 HydrophobicContact CB-CD2 3.8Å; A186-Y240 HydrophobicContact CB-CE2 3.48Å; A186-Y240 VanDerWaalsContact CB-CE2 3.48Å; Y187-Y240 HydrophobicContact CE1-CD2 4.24Å; Y187-Y240 HydrophobicContact CE2-CD2 4.44Å; Y187-Y240 AromaticContact CZ-CD2 3.98Å; Y240-G270 PolarHBondContact OH-O 2.66Å; Y240-G270 VanDerWaalsContact OH-O 3.11Å; Y240-F271 VanDerWaalsContact OH-CA 3.26Å; Y240-F271 WeakPolarHBondContact OH-CA 3.47Å; Y240-F271 PolarHBondContact OH-N 3.3Å; Y240-E272 VanDerWaalsContact CB-CD 3.49Å; Y240-E272 WeakPolarHBondContact CB-OE1 3.49Å; Y240-E272 HydrophobicContact CD1-CB 3.67Å; Y240-E272 HydrophobicContact CD1-CG 4.25Å; Y240-E272 HydrophobicContact CD2-CB 3.79Å; Y240-E272 HydrophobicContact CD2-CG 4.09Å; Y240-E272 HydrophobicContact CE1-CB 4Å; Y240-E272 HydrophobicContact CE2-CB 4.12Å; Y240-E272 HydrophobicContact CG-CB 3.56Å; Y240-E272 HydrophobicContact CG-CG 3.75Å; Y240-I339 HydrophobicContact CE2-CD1 4.22Å; Y240-I339 HydrophobicContact CE2-CG1 4.16Å; Y240-R438 VanDerWaalsContact CE1-O 3.23Å; Y240-R438 WeakPolarHBondContact CE1-O 3.23Å; Y240-R438 PolarHBondContact OH-O 3.2Å; Y240-S440 PolarHBondContact OH-N 2.9Å; Y240-S440 PolarHBondContact OH-OG 3.11Å
241	T	94.1	Very high	81.9	Confident	32 Å²	32	68.4 Å²	68.4	20%	0.196	33%	0.331	C	S	.	.			trans	-122.4	-5.2	-175.7	64	0	0	0	0	113.9	A186 R188 Q239 R438	A186-T241 PolarHBondContact O-N 2.98Å; A186-T241 PolarHBondContact O-OG1 3.43Å; R188-T241 PolarHBondContact NE-OG1 3.04Å; R188-T241 VanDerWaalsContact NE-OG1 3.09Å; R188-T241 PolarHBondContact NH2-OG1 2.76Å; Q239-T241 HydrophobicContact CG-CG2 4.08Å; Q239-T241 PolarHBondContact O-N 3.37Å; T241-R438 WeakPolarHBondContact O-CD 3.3Å
242	G	93.3	Very high	83.8	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	34%	0.343	C	S	.	.			trans	58.4	178.9	-161.5	0	0	0	0	0	111.6	A185 V439 S440	A185-G242 CarbonylContact O-C 3.46Å; A185-G242 VanDerWaalsContact O-C 3.26Å; A185-G242 VanDerWaalsContact O-O 3.04Å; G242-V439 WeakPolarHBondContact CA-O 3.32Å; G242-S440 WeakPolarHBondContact CA-OG 3.47Å
243	G	95.2	Very high	85.4	Confident	12 Å²	12	66.4 Å²	66.4	12%	0.124	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	150.6	-169.8	178.2	0	0	0	0	0	113.2	A185 V439 S440 I441	A185-G243 VanDerWaalsContact O-CA 3.3Å; A185-G243 WeakPolarHBondContact O-CA 3.19Å; A185-G243 PolarHBondContact O-N 3.21Å; G243-V439 PolarHBondContact N-O 2.91Å; G243-V439 VanDerWaalsContact N-O 3.09Å; G243-S440 CarbonylContact O-C 3.56Å; G243-S440 VanDerWaalsContact O-CA 3.28Å; G243-S440 WeakPolarHBondContact O-CA 3.35Å; G243-I441 PolarHBondContact O-N 3.42Å
244	E	96.6	Very high	86.3	Confident	74 Å²	74	65.9 Å²	65.9	35%	0.346	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	137.2	-175.6	179.5	170.7	-141.4	0	0	110.9	R246 I441 C453	E244-R246 HydrophobicContact CG-CG 4.11Å; E244-R246 IonicContact OE1-CZ 3.89Å; E244-R246 IonicContact OE1-NE 3.13Å; E244-R246 PolarHBondContact OE1-NE 2.86Å; E244-R246 IonicContact OE1-NH2 2.68Å; E244-R246 PolarHBondContact OE1-NH2 3.42Å; E244-R246 IonicContact OE2-NE 3.8Å; E244-I441 CarbonylContact C-O 3.59Å; E244-I441 VanDerWaalsContact CA-O 3.29Å; E244-I441 WeakPolarHBondContact CA-O 3.44Å; E244-I441 HydrophobicContact CG-CB 4.34Å; E244-C453 HydrophobicContact CB-CB 3.94Å; E244-C453 VanDerWaalsContact CD-CB 3.4Å; E244-C453 HydrophobicContact CG-CB 4.15Å; E244-C453 WeakPolarHBondContact OE2-CB 3.36Å
245	I	97.1	Very high	86.4	Confident	42 Å²	42	65.3 Å²	65.3	22%	0.215	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	129.4	165.2	-66.8	-178.7	0	0	0	109	L181 A184 A185 I247 I441 V442 G443	L181-I245 HydrophobicContact CD2-CG2 4.17Å; A184-I245 HydrophobicContact CB-CD1 3.36Å; A185-I245 HydrophobicContact CB-CB 4.42Å; A185-I245 HydrophobicContact CB-CD1 4.23Å; A185-I245 HydrophobicContact CB-CG1 3.98Å; I245-I247 HydrophobicContact CG2-CD1 4.24Å; I245-I247 HydrophobicContact CG2-CG1 4.01Å; I245-I441 PolarHBondContact N-O 3.49Å; I245-V442 CarbonylContact O-C 3.4Å; I245-V442 VanDerWaalsContact O-CA 3.32Å; I245-V442 WeakPolarHBondContact O-CA 3.37Å; I245-G443 PolarHBondContact O-N 2.59Å
246	R	97	Very high	85.8	Confident	94 Å²	94	67.8 Å²	67.8	36%	0.355	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	123.6	173.5	-69.6	-173.7	-177.2	-119.2	-11.9	109.6	E244 G443 L447 L450 P451	E244-R246 HydrophobicContact CG-CG 4.11Å; E244-R246 IonicContact OE1-CZ 3.89Å; E244-R246 IonicContact OE1-NE 3.13Å; E244-R246 PolarHBondContact OE1-NE 2.86Å; E244-R246 IonicContact OE1-NH2 2.68Å; E244-R246 PolarHBondContact OE1-NH2 3.42Å; E244-R246 IonicContact OE2-NE 3.8Å; R246-G443 WeakPolarHBondContact CA-O 3.39Å; R246-L447 HydrophobicContact CB-CD1 3.74Å; R246-L447 HydrophobicContact CG-CD1 4.08Å; R246-L450 PolarHBondContact NH1-O 2.82Å; R246-P451 PolarHBondContact NH2-O 2.97Å
247	I	96.1	Very high	85	Confident	63 Å²	63	68.5 Å²	68.5	32%	0.323	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	102.6	174.3	-60.7	178.3	0	0	0	107.4	L181 I245 K249 G443 Y444 G445	L181-I247 HydrophobicContact CD1-CD1 3.85Å; L181-I247 HydrophobicContact CD2-CD1 3.69Å; L181-I247 HydrophobicContact CG-CD1 4.44Å; I245-I247 HydrophobicContact CG2-CD1 4.24Å; I245-I247 HydrophobicContact CG2-CG1 4.01Å; I247-K249 PolarHBondContact O-N 3.03Å; I247-G443 PolarHBondContact N-O 3.29Å; I247-Y444 HydrophobicContact CB-CD2 3.91Å; I247-Y444 HydrophobicContact CG2-CD2 3.89Å; I247-Y444 HydrophobicContact CG2-CE2 4.04Å; I247-Y444 WeakPolarHBondContact O-CA 3.39Å; I247-G445 PolarHBondContact O-N 3.42Å; I247-G445 VanDerWaalsContact O-N 3.13Å
248	E	95.4	Very high	83.9	Confident	124 Å²	124	70.4 Å²	70.4	58%	0.579	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.7	121.6	172.3	-163.3	77.1	-162.8	0	0	108.4	G445 S446 L447	E248-G445 WeakPolarHBondContact CA-O 3.41Å; E248-S446 VanDerWaalsContact OE1-CA 3.3Å; E248-S446 WeakPolarHBondContact OE1-CA 3.33Å; E248-L447 PolarHBondContact OE1-N 2.93Å; E248-L447 VanDerWaalsContact OE2-CB 3.25Å; E248-L447 WeakPolarHBondContact OE2-CB 3.46Å; E248-L447 WeakPolarHBondContact OE2-CG 2.96Å; E248-L447 PolarHBondContact OE2-N 2.91Å; E248-L447 VanDerWaalsContact OE2-N 3.13Å
249	K	91.3	Very high	82.7	Confident	66 Å²	66	76.1 Å²	76.1	29%	0.287	41%	0.405	S	S	.	.			trans	-146.9	132	178.3	-170.8	175.9	178.7	-178.5	0	109.9	T169 I247 L251 Y444 G445	T169-K249 PolarHBondContact O-NZ 2.93Å; I247-K249 PolarHBondContact O-N 3.03Å; K249-L251 HydrophobicContact CB-CD2 4.48Å; K249-L251 HydrophobicContact CD-CD2 3.84Å; K249-L251 HydrophobicContact CG-CD2 4.03Å; K249-L251 PolarHBondContact O-N 2.91Å; K249-Y444 HydrophobicContact CB-CE2 4.47Å; K249-Y444 HydrophobicContact CD-CE2 3.94Å; K249-Y444 WeakPolarHBondContact CD-OH 3.36Å; K249-Y444 PolarHBondContact NZ-OH 3.22Å; K249-Y444 VanDerWaalsContact NZ-OH 3.07Å; K249-G445 PolarHBondContact N-O 3.18Å; K249-G445 CarbonylContact O-C 3.56Å; K249-G445 VanDerWaalsContact O-CA 3.22Å; K249-G445 WeakPolarHBondContact O-CA 3.3Å
250	D	87.5	Confident	81.5	Confident	98 Å²	98	74.9 Å²	74.9	52%	0.524	41%	0.409	S	S	.	.			trans	-71.4	109.7	170.4	-178.3	5.5	0	0	0	109.3	S252	D250-S252 VanDerWaalsContact CG-OG 3.31Å; D250-S252 WeakPolarHBondContact OD1-CB 3.05Å; D250-S252 PolarHBondContact OD1-N 2.81Å; D250-S252 PolarHBondContact OD1-OG 2.89Å; D250-S252 PolarHBondContact OD2-OG 2.81Å
251	L	87.5	Confident	80.6	Confident	11 Å²	11	77.9 Å²	77.9	6%	0.058	42%	0.422	C	S	.	.			trans	-102.5	9	178.3	-62.5	176.6	0	0	0	112.2	K249 N253 V254 L264 Y444	K249-L251 HydrophobicContact CB-CD2 4.48Å; K249-L251 HydrophobicContact CD-CD2 3.84Å; K249-L251 HydrophobicContact CG-CD2 4.03Å; K249-L251 PolarHBondContact O-N 2.91Å; L251-N253 PolarHBondContact O-N 2.88Å; L251-V254 HydrophobicContact CB-CG2 4.29Å; L251-V254 HydrophobicContact CD2-CB 4.43Å; L251-V254 HydrophobicContact CD2-CG2 3.63Å; L251-V254 PolarHBondContact O-N 2.7Å; L251-L264 VanDerWaalsContact CD1-O 3.29Å; L251-L264 WeakPolarHBondContact CD1-O 3.32Å; L251-Y444 HydrophobicContact CD1-CD1 3.86Å; L251-Y444 HydrophobicContact CD1-CE1 3.66Å; L251-Y444 HydrophobicContact CD2-CE1 3.93Å; L251-Y444 HydrophobicContact CG-CE1 4.4Å
252	S	82.4	Confident	80	Confident	55 Å²	55	78.4 Å²	78.4	39%	0.385	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-23.5	-178.3	65.9	0	0	0	0	113.8	D250	D250-S252 VanDerWaalsContact CG-OG 3.31Å; D250-S252 WeakPolarHBondContact OD1-CB 3.05Å; D250-S252 PolarHBondContact OD1-N 2.81Å; D250-S252 PolarHBondContact OD1-OG 2.89Å; D250-S252 PolarHBondContact OD2-OG 2.81Å
253	N	75.4	Confident	79.8	Confident	137 Å²	137	80.7 Å²	80.7	73%	0.733	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	14.7	-178.5	-62.4	-50.8	0	0	0	113.4	L251	L251-N253 PolarHBondContact O-N 2.88Å
254	V	72.1	Confident	79.7	Confident	24 Å²	24	80.2 Å²	80.2	15%	0.145	43%	0.432	C	S	.	.			trans	-85.2	120.4	-175.9	176.7	0	0	0	0	110.6	M170 L251	M170-V254 WeakPolarHBondContact O-CG1 3.47Å; L251-V254 HydrophobicContact CB-CG2 4.29Å; L251-V254 HydrophobicContact CD2-CB 4.43Å; L251-V254 HydrophobicContact CD2-CG2 3.63Å; L251-V254 PolarHBondContact O-N 2.7Å
255	G	61	Low	79.7	Confident	37 Å²	37	76.7 Å²	76.7	38%	0.381	42%	0.415	S	S	.	.			trans	94.3	94.4	-176.2	0	0	0	0	0	112.1	A257	G255-A257 PolarHBondContact O-N 3.05Å
256	M	53.2	Low	79.7	Confident	201 Å²	201	74.8 Å²	74.8	99%	0.99	41%	0.405	S	S	*	.			trans	-68.4	29	167.1	-69.5	-178.7	55.3	0	0	112.9
257	A	57.4	Low	79.7	Confident	65 Å²	65	70.3 Å²	70.3	54%	0.537	39%	0.389	S	S	.	.			trans	-72.8	151.1	-178.7	0	0	0	0	0	110.7	G255 N259	G255-A257 PolarHBondContact O-N 3.05Å; A257-N259 CarbonylContact O-C 3.59Å; A257-N259 PolarHBondContact O-N 3.27Å
258	I	60.2	Low	79.8	Confident	171 Å²	171	67.3 Å²	67.3	88%	0.877	37%	0.373	S	S	*	.	S	Bend	trans	-54.8	-26.4	176.6	-61.5	169.7	0	0	0	111.6
259	N	61	Low	80	Confident	130 Å²	130	61.4 Å²	61.4	70%	0.695	35%	0.346	S	S	*	.	S	Bend	trans	-108.9	112.2	171.3	-68.6	-26.6	0	0	0	109.4	A257 F261	A257-N259 CarbonylContact O-C 3.59Å; A257-N259 PolarHBondContact O-N 3.27Å; N259-F261 PolarHBondContact O-N 2.93Å
260	P	65.1	Low	80.3	Confident	117 Å²	117	58.2 Å²	58.2	76%	0.76	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-61.8	125.1	178	23.3	-30.7	0	0	0	109.8
261	F	73.2	Confident	80.8	Confident	82 Å²	82	53.6 Å²	53.6	36%	0.36	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-72.5	140.7	165.7	-119.7	-100.1	0	0	0	108.2	P172 N259 L264	P172-F261 HydrophobicContact CB-CB 3.98Å; P172-F261 HydrophobicContact CB-CD1 3.5Å; P172-F261 VanDerWaalsContact CB-CD1 3.5Å; P172-F261 HydrophobicContact CB-CD2 4.28Å; P172-F261 HydrophobicContact CB-CE1 4Å; P172-F261 HydrophobicContact CB-CG 3.66Å; P172-F261 HydrophobicContact CG-CB 4.02Å; P172-F261 HydrophobicContact CG-CD1 4.23Å; P172-F261 HydrophobicContact CG-CD2 4.14Å; P172-F261 HydrophobicContact CG-CG 3.87Å; N259-F261 PolarHBondContact O-N 2.93Å; F261-L264 HydrophobicContact CD1-CD1 4.07Å; F261-L264 HydrophobicContact CE1-CD1 4.11Å
262	P	81.2	Confident	81.3	Confident	44 Å²	44	56.5 Å²	56.5	29%	0.286	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-63.5	153.3	172	26.3	-31.2	0	0	0	110.1	L264 Y325	P262-L264 HydrophobicContact CG-CD2 4.31Å; P262-L264 PolarHBondContact O-N 3.02Å; P262-Y325 HydrophobicContact CG-CD1 4.17Å; P262-Y325 HydrophobicContact CG-CE1 3.36Å; P262-Y325 HydrophobicContact CG-CE2 4.31Å; P262-Y325 VanDerWaalsContact CG-CZ 3.46Å; P262-Y325 WeakPolarHBondContact CG-OH 3.35Å
263	E	90.2	Very high	82	Confident	47 Å²	47	54 Å²	54	22%	0.22	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-57.7	124.8	168.4	-174	-169.7	179.4	0	0	108.9	H347 P348 S446	E263-H347 WeakPolarHBondContact O-CA 3.38Å; E263-P348 HydrophobicContact CG-CG 3.88Å; E263-P348 VanDerWaalsContact O-CD 3.32Å; E263-P348 WeakPolarHBondContact O-CD 3.43Å; E263-S446 WeakPolarHBondContact OE1-CB 3.46Å; E263-S446 PolarHBondContact OE1-OG 3.11Å
264	L	93.1	Very high	83	Confident	3 Å²	3	47.6 Å²	47.6	2%	0.016	27%	0.269	C	S	.	.			trans	-113.2	137.9	177.8	-63.8	179.1	0	0	0	110.5	E173 L251 F261 P262 Y325 T346	E173-L264 HydrophobicContact CG-CD1 3.84Å; L251-L264 VanDerWaalsContact CD1-O 3.29Å; L251-L264 WeakPolarHBondContact CD1-O 3.32Å; F261-L264 HydrophobicContact CD1-CD1 4.07Å; F261-L264 HydrophobicContact CE1-CD1 4.11Å; P262-L264 HydrophobicContact CG-CD2 4.31Å; P262-L264 PolarHBondContact O-N 3.02Å; L264-Y325 HydrophobicContact CD2-CD1 4.11Å; L264-Y325 HydrophobicContact CD2-CD2 3.67Å; L264-Y325 HydrophobicContact CD2-CE2 4.18Å; L264-Y325 HydrophobicContact CD2-CG 3.64Å; L264-T346 CarbonylContact C-O 3.59Å; L264-T346 WeakPolarHBondContact CA-O 3.45Å
265	G	95.6	Very high	84	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	136.4	158.1	0	0	0	0	0	108.6	S345 T346	G265-S345 WeakPolarHBondContact O-CA 3.45Å; G265-T346 PolarHBondContact N-O 3.46Å; G265-T346 PolarHBondContact O-N 2.85Å
266	H	97.3	Very high	85.4	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	134.8	-177.4	-56.1	-89.4	0	0	0	110.1	P172 L178 A344 G443 Y444	P172-H266 PolarHBondContact O-CE1 3.22Å; P172-H266 PolarHBondContact O-NE2 3.02Å; P172-H266 VanDerWaalsContact O-NE2 3.15Å; L178-H266 HydrophobicContact CD1-CB 3.96Å; L178-H266 HydrophobicContact CD2-CB 3.86Å; H266-A344 WeakPolarHBondContact CA-O 3.25Å; H266-G443 WeakPolarHBondContact O-CA 3.26Å; H266-Y444 AromaticContact CD2-CD1 3.69Å; H266-Y444 PolarHBondContact CD2-O 2.98Å; H266-Y444 PolarHBondContact N-O 3.15Å; H266-Y444 PolarHBondContact O-N 3.18Å
267	F	98.1	Very high	87.2	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	130.1	175.9	172.9	-117.3	0	0	0	109	I269 A344 L351 L354 V355 I358 I441 V442 L450 I456	F267-I269 HydrophobicContact CE1-CB 3.97Å; F267-I269 HydrophobicContact CE1-CG2 3.94Å; F267-I269 HydrophobicContact CZ-CB 3.72Å; F267-I269 HydrophobicContact CZ-CD1 4.48Å; F267-I269 HydrophobicContact CZ-CG2 4.2Å; F267-A344 PolarHBondContact N-O 3.38Å; F267-A344 PolarHBondContact O-N 3.46Å; F267-L351 HydrophobicContact CB-CD1 4.08Å; F267-L354 HydrophobicContact CB-CD2 4.09Å; F267-V355 HydrophobicContact CD1-CG2 3.91Å; F267-V355 HydrophobicContact CD2-CG2 3.8Å; F267-V355 HydrophobicContact CE1-CB 4.32Å; F267-V355 HydrophobicContact CE1-CG1 4.38Å; F267-V355 HydrophobicContact CE1-CG2 3.85Å; F267-V355 HydrophobicContact CE2-CG2 3.72Å; F267-V355 HydrophobicContact CG-CG2 3.88Å; F267-V355 HydrophobicContact CZ-CB 4.32Å; F267-V355 HydrophobicContact CZ-CG1 4.02Å; F267-V355 HydrophobicContact CZ-CG2 3.74Å; F267-I358 HydrophobicContact CE1-CB 4.23Å; F267-I358 HydrophobicContact CE1-CG2 4.23Å; F267-I441 HydrophobicContact CD2-CG2 4.28Å; F267-I441 HydrophobicContact CE2-CD1 3.89Å; F267-I441 HydrophobicContact CE2-CG2 3.79Å; F267-I441 HydrophobicContact CZ-CD1 4.05Å; F267-V442 WeakPolarHBondContact CA-O 3.4Å; F267-L450 HydrophobicContact CD2-CD1 3.67Å; F267-L450 HydrophobicContact CE2-CD1 4.17Å; F267-L450 HydrophobicContact CG-CD1 4.45Å; F267-I456 HydrophobicContact CE2-CD1 4Å; F267-I456 HydrophobicContact CZ-CD1 4.29Å
268	V	98.6	Very high	89	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	131.1	170.1	-167.8	0	0	0	0	108.6	L178 I182 F341 I342 R343 I441 V442	L178-V268 HydrophobicContact CB-CG2 4.07Å; L178-V268 HydrophobicContact CD1-CG2 4.48Å; L178-V268 HydrophobicContact CD2-CG2 4.17Å; L178-V268 HydrophobicContact CG-CG2 4.47Å; I182-V268 HydrophobicContact CB-CG1 4.01Å; I182-V268 HydrophobicContact CD1-CB 4.29Å; I182-V268 HydrophobicContact CD1-CG1 3.91Å; I182-V268 HydrophobicContact CG1-CG1 3.85Å; I182-V268 HydrophobicContact CG2-CG1 4.49Å; V268-F341 HydrophobicContact CG1-CB 4.04Å; V268-F341 HydrophobicContact CG1-CD2 3.67Å; V268-F341 HydrophobicContact CG1-CG 4.19Å; V268-I342 VanDerWaalsContact CA-O 3.31Å; V268-I342 WeakPolarHBondContact CA-O 3.46Å; V268-I342 WeakPolarHBondContact CG1-O 3Å; V268-R343 HydrophobicContact CG1-CG 3.87Å; V268-R343 HydrophobicContact CG2-CB 4.21Å; V268-R343 HydrophobicContact CG2-CG 3.91Å; V268-I441 CarbonylContact O-C 3.26Å; V268-I441 WeakPolarHBondContact O-CA 3.32Å; V268-V442 HydrophobicContact CB-CB 3.92Å; V268-V442 HydrophobicContact CB-CG2 4.4Å; V268-V442 HydrophobicContact CG2-CB 4.07Å; V268-V442 PolarHBondContact N-O 2.67Å; V268-V442 PolarHBondContact O-N 2.72Å
269	I	98.4	Very high	90.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	126.1	169.4	-176	167.8	0	0	0	109.2	F267 F271 F341 I342 I358 V439 S440 I441 I456 I460	F267-I269 HydrophobicContact CE1-CB 3.97Å; F267-I269 HydrophobicContact CE1-CG2 3.94Å; F267-I269 HydrophobicContact CZ-CB 3.72Å; F267-I269 HydrophobicContact CZ-CD1 4.48Å; F267-I269 HydrophobicContact CZ-CG2 4.2Å; I269-F271 HydrophobicContact CD1-CE2 4.13Å; I269-F271 HydrophobicContact CD1-CZ 3.66Å; I269-F271 HydrophobicContact CG1-CE2 3.76Å; I269-F271 HydrophobicContact CG1-CZ 3.73Å; I269-F271 HydrophobicContact CG2-CE2 4.43Å; I269-F341 CarbonylContact O-C 3.58Å; I269-F341 WeakPolarHBondContact O-CA 3.37Å; I269-F341 VanDerWaalsContact O-CB 3.22Å; I269-F341 WeakPolarHBondContact O-CB 3.42Å; I269-I342 HydrophobicContact CG2-CB 4.22Å; I269-I342 PolarHBondContact N-O 3.31Å; I269-I342 PolarHBondContact O-N 3.49Å; I269-I358 HydrophobicContact CG2-CG2 3.67Å; I269-V439 HydrophobicContact CD1-CG1 4.3Å; I269-V439 HydrophobicContact CG1-CB 4.44Å; I269-S440 CarbonylContact C-O 3.51Å; I269-S440 WeakPolarHBondContact CA-O 3.49Å; I269-I441 HydrophobicContact CB-CD1 3.92Å; I269-I441 HydrophobicContact CD1-CD1 4.01Å; I269-I441 HydrophobicContact CG1-CD1 3.67Å; I269-I456 HydrophobicContact CD1-CG2 3.89Å; I269-I460 HydrophobicContact CD1-CG1 4.27Å
270	G	98.1	Very high	92.4	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	157.7	-178.2	0	0	0	0	0	112.9	Y240 F340 S440	Y240-G270 PolarHBondContact OH-O 2.66Å; Y240-G270 VanDerWaalsContact OH-O 3.11Å; G270-F340 CarbonylContact C-O 3.07Å; G270-F340 VanDerWaalsContact CA-O 3.28Å; G270-F340 WeakPolarHBondContact CA-O 3.38Å; G270-S440 PolarHBondContact N-O 3.06Å; G270-S440 PolarHBondContact O-N 3.46Å
271	F	98.2	Very high	94	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	152.7	-175.5	-58.2	-86.5	0	0	0	108.9	Y240 I269 S273 I339 F340 M362 L434 V439 I460	Y240-F271 VanDerWaalsContact OH-CA 3.26Å; Y240-F271 WeakPolarHBondContact OH-CA 3.47Å; Y240-F271 PolarHBondContact OH-N 3.3Å; I269-F271 HydrophobicContact CD1-CE2 4.13Å; I269-F271 HydrophobicContact CD1-CZ 3.66Å; I269-F271 HydrophobicContact CG1-CE2 3.76Å; I269-F271 HydrophobicContact CG1-CZ 3.73Å; I269-F271 HydrophobicContact CG2-CE2 4.43Å; F271-S273 PolarHBondContact O-N 3.14Å; F271-I339 WeakPolarHBondContact O-CA 3.44Å; F271-I339 WeakPolarHBondContact O-CG1 3.12Å; F271-F340 PolarHBondContact N-O 3.4Å; F271-F340 PolarHBondContact O-N 3.45Å; F271-M362 HydrophobicContact CD2-CE 3.57Å; F271-M362 HydrophobicContact CE2-CE 3.27Å; F271-M362 HydrophobicContact CE2-CG 4.02Å; F271-M362 HydrophobicContact CE2-SD 4.39Å; F271-M362 HydrophobicContact CZ-CE 4.09Å; F271-M362 HydrophobicContact CZ-CG 3.91Å; F271-L434 HydrophobicContact CB-CB 3.91Å; F271-L434 HydrophobicContact CB-CD2 3.81Å; F271-L434 HydrophobicContact CB-CG 4.28Å; F271-L434 HydrophobicContact CD1-CB 4.33Å; F271-L434 VanDerWaalsContact CD1-O 3.29Å; F271-L434 WeakPolarHBondContact CD1-O 3.19Å; F271-L434 HydrophobicContact CG-CB 4.07Å; F271-V439 HydrophobicContact CD1-CG1 4.28Å; F271-V439 HydrophobicContact CE1-CG1 3.65Å; F271-V439 HydrophobicContact CZ-CG1 4.26Å; F271-I460 HydrophobicContact CE1-CG2 4.01Å
272	E	97.9	Very high	95.1	Very high	72 Å²	72	29.3 Å²	29.3	34%	0.336	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	122.8	171.2	-168.1	177.2	-157.2	0	0	109	Y240 L434 T437	Y240-E272 VanDerWaalsContact CB-CD 3.49Å; Y240-E272 WeakPolarHBondContact CB-OE1 3.49Å; Y240-E272 HydrophobicContact CD1-CB 3.67Å; Y240-E272 HydrophobicContact CD1-CG 4.25Å; Y240-E272 HydrophobicContact CD2-CB 3.79Å; Y240-E272 HydrophobicContact CD2-CG 4.09Å; Y240-E272 HydrophobicContact CE1-CB 4Å; Y240-E272 HydrophobicContact CE2-CB 4.12Å; Y240-E272 HydrophobicContact CG-CB 3.56Å; Y240-E272 HydrophobicContact CG-CG 3.75Å; E272-L434 WeakPolarHBondContact O-CD2 3.06Å; E272-T437 HydrophobicContact CB-CG2 3.64Å; E272-T437 PolarHBondContact N-OG1 3.04Å
273	S	97	Very high	95.9	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.014	14%	0.135	C	C	.	.			trans	-97.7	-110.9	172.1	65.2	0	0	0	0	110.3	F271 N331 G338 I339	F271-S273 PolarHBondContact O-N 3.14Å; S273-N331 PolarHBondContact OG-OD1 2.88Å; S273-G338 PolarHBondContact N-O 2.66Å; S273-G338 WeakPolarHBondContact OG-CA 3.16Å; S273-I339 PolarHBondContact OG-N 2.93Å
274	C	96.6	Very high	96.3	Very high	4 Å²	4	25.3 Å²	25.3	3%	0.027	13%	0.125	C	C	.	.			trans	-158.1	161.5	178.6	72.3	0	0	0	0	112.7	D278 F281 F284 S337 G338	C274-D278 HydrophobicContact CB-CB 3.58Å; C274-F281 VanDerWaalsContact SG-CA 3.51Å; C274-F284 HydrophobicContact CB-CD2 4.19Å; C274-F284 HydrophobicContact CB-CE2 3.94Å; C274-F284 WeakPolarHBondContact SG-CD2 3.5Å; C274-S337 CarbonylContact C-O 3.54Å; C274-G338 VanDerWaalsContact O-CA 3.31Å; C274-G338 WeakPolarHBondContact O-CA 3.16Å
275	K	93.6	Very high	96.6	Very high	89 Å²	89	26.6 Å²	26.6	39%	0.387	13%	0.134	S	C	.	.			trans	-64.1	156	166.4	61.1	-175.3	-177.4	-177.1	0	111.5	T277 D278 Y334 A335 S337	K275-T277 WeakPolarHBondContact CD-OG1 3.27Å; K275-T277 WeakPolarHBondContact CE-OG1 3.44Å; K275-T277 PolarHBondContact O-N 2.87Å; K275-T277 VanDerWaalsContact O-N 3.14Å; K275-D278 HydrophobicContact CG-CB 4.09Å; K275-D278 VanDerWaalsContact O-CB 3.23Å; K275-D278 WeakPolarHBondContact O-CB 3.49Å; K275-D278 PolarHBondContact O-N 3.06Å; K275-D278 VanDerWaalsContact O-N 3.09Å; K275-Y334 CarbonylContact C-O 3.57Å; K275-Y334 WeakPolarHBondContact CA-O 3.35Å; K275-Y334 WeakPolarHBondContact CB-O 3.33Å; K275-A335 WeakPolarHBondContact CB-O 3.44Å; K275-S337 WeakPolarHBondContact CA-O 3.47Å; K275-S337 PolarHBondContact N-O 3.45Å
276	F	90	Very high	96.7	Very high	25 Å²	25	26.6 Å²	26.6	11%	0.11	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-11.3	-177.5	55	-109.8	0	0	0	114.9	F281 Y334 A335 G405 Q406	F276-F281 HydrophobicContact CB-CD1 4.36Å; F276-F281 HydrophobicContact CB-CD2 4.06Å; F276-F281 HydrophobicContact CB-CE1 4.2Å; F276-F281 HydrophobicContact CB-CE2 3.88Å; F276-F281 HydrophobicContact CB-CG 4.29Å; F276-F281 HydrophobicContact CB-CZ 3.95Å; F276-Y334 VanDerWaalsContact CD1-C 3.44Å; F276-Y334 WeakPolarHBondContact CD1-O 3.38Å; F276-Y334 VanDerWaalsContact CE1-O 3.29Å; F276-Y334 WeakPolarHBondContact CE1-O 3.43Å; F276-Y334 PolarHBondContact N-O 2.95Å; F276-Y334 VanDerWaalsContact N-O 3.08Å; F276-A335 HydrophobicContact CE1-CB 3.9Å; F276-A335 HydrophobicContact CZ-CB 3.67Å; F276-G405 VanDerWaalsContact CE2-CA 3.43Å; F276-G405 WeakPolarHBondContact CE2-O 3.42Å; F276-G405 VanDerWaalsContact CZ-C 3.46Å; F276-Q406 HydrophobicContact CE2-CB 4.21Å
277	T	91.1	Very high	96.7	Very high	64 Å²	64	26.6 Å²	26.6	39%	0.393	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-7.5	173.7	47.8	0	0	0	0	113.9	K275 Q406	K275-T277 WeakPolarHBondContact CD-OG1 3.27Å; K275-T277 WeakPolarHBondContact CE-OG1 3.44Å; K275-T277 PolarHBondContact O-N 2.87Å; K275-T277 VanDerWaalsContact O-N 3.14Å; T277-Q406 HydrophobicContact CG2-CB 3.63Å
278	D	94.9	Very high	96.6	Very high	36 Å²	36	28.7 Å²	28.7	19%	0.193	15%	0.145	C	C	.	.	S	Bend	trans	-69.6	144.3	178.1	-163.2	-61.5	0	0	0	110.7	C274 K275 D280 F281 R433	C274-D278 HydrophobicContact CB-CB 3.58Å; K275-D278 HydrophobicContact CG-CB 4.09Å; K275-D278 VanDerWaalsContact O-CB 3.23Å; K275-D278 WeakPolarHBondContact O-CB 3.49Å; K275-D278 PolarHBondContact O-N 3.06Å; K275-D278 VanDerWaalsContact O-N 3.09Å; D278-D280 PolarHBondContact O-N 3.28Å; D278-D280 WeakPolarHBondContact OD1-CB 3.38Å; D278-D280 PolarHBondContact OD1-N 3.24Å; D278-F281 VanDerWaalsContact O-CB 3.28Å; D278-F281 WeakPolarHBondContact O-CB 3.09Å; D278-F281 PolarHBondContact O-N 3.38Å; D278-F281 VanDerWaalsContact O-N 3.08Å; D278-R433 IonicContact OD1-CZ 4Å; D278-R433 IonicContact OD1-NH1 3.03Å; D278-R433 PolarHBondContact OD1-NH1 3.12Å; D278-R433 IonicContact OD2-CZ 3.44Å; D278-R433 IonicContact OD2-NH1 3.17Å; D278-R433 PolarHBondContact OD2-NH1 3.26Å; D278-R433 VanDerWaalsContact OD2-NH1 3.17Å; D278-R433 IonicContact OD2-NH2 2.78Å; D278-R433 PolarHBondContact OD2-NH2 3.31Å
279	E	95.5	Very high	96.5	Very high	163 Å²	163	29.7 Å²	29.7	76%	0.762	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-27.5	177.8	62.3	-178.3	-175.5	0	0	112.4	F281	E279-F281 VanDerWaalsContact C-N 3.31Å; E279-F281 PolarHBondContact O-N 3.1Å
280	D	97.6	Very high	96.3	Very high	6 Å²	6	29.9 Å²	29.9	3%	0.032	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-3.7	177.8	-77.2	-28.8	0	0	0	113.7	D278 V282 P283 F284 R429 V430 R433	D278-D280 PolarHBondContact O-N 3.28Å; D278-D280 WeakPolarHBondContact OD1-CB 3.38Å; D278-D280 PolarHBondContact OD1-N 3.24Å; D280-V282 PolarHBondContact O-N 3.08Å; D280-P283 WeakPolarHBondContact O-CB 3.31Å; D280-P283 VanDerWaalsContact O-CD 3.29Å; D280-P283 WeakPolarHBondContact O-CD 3.22Å; D280-F284 HydrophobicContact CB-CD2 4Å; D280-F284 HydrophobicContact CB-CE2 3.87Å; D280-F284 WeakPolarHBondContact O-CD2 3.27Å; D280-F284 PolarHBondContact O-N 2.9Å; D280-R429 IonicContact OD1-CZ 3.2Å; D280-R429 IonicContact OD1-NE 2.82Å; D280-R429 PolarHBondContact OD1-NE 2.94Å; D280-R429 IonicContact OD1-NH2 2.75Å; D280-R429 PolarHBondContact OD1-NH2 3.41Å; D280-R429 IonicContact OD2-NE 3.82Å; D280-V430 HydrophobicContact CB-CG1 3.61Å; D280-R433 IonicContact OD2-CZ 3.91Å; D280-R433 IonicContact OD2-NH1 2.85Å; D280-R433 PolarHBondContact OD2-NH1 2.82Å
281	F	97.1	Very high	96.1	Very high	38 Å²	38	30 Å²	30	17%	0.167	15%	0.153	C	C	.	.	H	α-helix	trans	-58.8	-45	-177.4	179	-108.5	0	0	0	112.9	C274 F276 D278 E279 F284 C285	C274-F281 VanDerWaalsContact SG-CA 3.51Å; F276-F281 HydrophobicContact CB-CD1 4.36Å; F276-F281 HydrophobicContact CB-CD2 4.06Å; F276-F281 HydrophobicContact CB-CE1 4.2Å; F276-F281 HydrophobicContact CB-CE2 3.88Å; F276-F281 HydrophobicContact CB-CG 4.29Å; F276-F281 HydrophobicContact CB-CZ 3.95Å; D278-F281 VanDerWaalsContact O-CB 3.28Å; D278-F281 WeakPolarHBondContact O-CB 3.09Å; D278-F281 PolarHBondContact O-N 3.38Å; D278-F281 VanDerWaalsContact O-N 3.08Å; E279-F281 VanDerWaalsContact C-N 3.31Å; E279-F281 PolarHBondContact O-N 3.1Å; F281-F284 PolarHBondContact O-N 3.21Å; F281-C285 PolarHBondContact O-N 2.95Å; F281-C285 PolarHBondContact O-SG 2.81Å; F281-C285 VanDerWaalsContact O-SG 3.35Å
282	V	97.9	Very high	95.9	Very high	22 Å²	22	30.8 Å²	30.8	13%	0.133	16%	0.161	C	C	.	.	H	α-helix	trans	-67.8	-46.3	178.3	178.1	0	0	0	0	111.4	D280 F284 C285 V286 Y415 A418 I419 V422	D280-V282 PolarHBondContact O-N 3.08Å; V282-F284 VanDerWaalsContact C-N 3.3Å; V282-F284 PolarHBondContact O-N 3.21Å; V282-C285 WeakPolarHBondContact O-CB 3.37Å; V282-C285 PolarHBondContact O-N 3.41Å; V282-C285 VanDerWaalsContact O-N 3.09Å; V282-V286 PolarHBondContact O-N 2.86Å; V282-Y415 HydrophobicContact CG2-CD1 4.25Å; V282-A418 HydrophobicContact CG1-CB 4.29Å; V282-A418 HydrophobicContact CG2-CB 4.22Å; V282-I419 HydrophobicContact CG1-CB 4.32Å; V282-I419 HydrophobicContact CG1-CG1 3.66Å; V282-V422 HydrophobicContact CG1-CG2 3.92Å
283	P	98.3	Very high	95.5	Very high	7 Å²	7	28.3 Å²	28.3	5%	0.045	16%	0.156	C	C	.	.	H	α-helix	trans	-51.4	-41.8	168	-31.3	35.1	0	0	0	114.7	D280 C285 V286 L287 V422 D426 V430	D280-P283 WeakPolarHBondContact O-CB 3.31Å; D280-P283 VanDerWaalsContact O-CD 3.29Å; D280-P283 WeakPolarHBondContact O-CD 3.22Å; P283-C285 PolarHBondContact O-N 3.07Å; P283-V286 PolarHBondContact O-N 2.75Å; P283-L287 WeakPolarHBondContact O-CB 3.41Å; P283-L287 PolarHBondContact O-N 2.63Å; P283-V422 HydrophobicContact CG-CG2 4.34Å; P283-D426 HydrophobicContact CB-CB 4.33Å; P283-D426 HydrophobicContact CG-CB 4.16Å; P283-V430 HydrophobicContact CB-CG1 3.71Å; P283-V430 HydrophobicContact CB-CG2 4.22Å
284	F	98.4	Very high	95	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.1	-38.3	174.4	-81.8	-60.8	0	0	0	113.2	C274 D280 F281 V282 V286 L287 N288 F340 V430 L434	C274-F284 HydrophobicContact CB-CD2 4.19Å; C274-F284 HydrophobicContact CB-CE2 3.94Å; C274-F284 WeakPolarHBondContact SG-CD2 3.5Å; D280-F284 HydrophobicContact CB-CD2 4Å; D280-F284 HydrophobicContact CB-CE2 3.87Å; D280-F284 WeakPolarHBondContact O-CD2 3.27Å; D280-F284 PolarHBondContact O-N 2.9Å; F281-F284 PolarHBondContact O-N 3.21Å; V282-F284 VanDerWaalsContact C-N 3.3Å; V282-F284 PolarHBondContact O-N 3.21Å; F284-V286 VanDerWaalsContact C-N 3.34Å; F284-L287 HydrophobicContact CD1-CD2 4.22Å; F284-L287 PolarHBondContact O-N 2.68Å; F284-N288 PolarHBondContact O-N 3.23Å; F284-F340 HydrophobicContact CD1-CD2 4.46Å; F284-V430 HydrophobicContact CD1-CB 3.96Å; F284-V430 HydrophobicContact CD1-CG2 4.27Å; F284-V430 HydrophobicContact CD2-CB 4.49Å; F284-V430 HydrophobicContact CD2-CG1 4.23Å; F284-V430 HydrophobicContact CE1-CB 3.6Å; F284-V430 HydrophobicContact CE1-CG1 4.3Å; F284-V430 HydrophobicContact CE1-CG2 4.29Å; F284-V430 HydrophobicContact CE2-CB 4.22Å; F284-V430 HydrophobicContact CE2-CG1 4.05Å; F284-V430 HydrophobicContact CG-CB 4.39Å; F284-V430 HydrophobicContact CG-CG1 4.47Å; F284-V430 HydrophobicContact CZ-CB 3.76Å; F284-V430 HydrophobicContact CZ-CG1 4.09Å; F284-L434 HydrophobicContact CD1-CD2 4.23Å; F284-L434 HydrophobicContact CE1-CD1 4.1Å; F284-L434 HydrophobicContact CE1-CD2 3.3Å; F284-L434 HydrophobicContact CE1-CG 3.61Å; F284-L434 HydrophobicContact CZ-CD2 3.81Å; F284-L434 HydrophobicContact CZ-CG 4.35Å
285	C	98.1	Very high	94.3	Very high	30 Å²	30	29.7 Å²	29.7	20%	0.203	17%	0.171	C	C	.	.	H	α-helix	trans	-64	-39.2	173.5	-69.9	0	0	0	0	111.8	F281 V282 P283 N288 S289 L381	F281-C285 PolarHBondContact O-N 2.95Å; F281-C285 PolarHBondContact O-SG 2.81Å; F281-C285 VanDerWaalsContact O-SG 3.35Å; V282-C285 WeakPolarHBondContact O-CB 3.37Å; V282-C285 PolarHBondContact O-N 3.41Å; V282-C285 VanDerWaalsContact O-N 3.09Å; P283-C285 PolarHBondContact O-N 3.07Å; C285-N288 PolarHBondContact O-N 3.45Å; C285-S289 PolarHBondContact O-N 3.31Å; C285-L381 HydrophobicContact CB-CD1 4.46Å; C285-L381 HydrophobicContact CB-CD2 3.79Å
286	V	98	Very high	93	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-67.3	-43.3	174.6	176.2	0	0	0	0	111	V282 P283 F284 N288 S289 L290 L374 A377 K378 L381 I419 V422 I427	V282-V286 PolarHBondContact O-N 2.86Å; P283-V286 PolarHBondContact O-N 2.75Å; F284-V286 VanDerWaalsContact C-N 3.34Å; V286-N288 VanDerWaalsContact C-N 3.3Å; V286-N288 PolarHBondContact O-N 3.1Å; V286-S289 PolarHBondContact O-N 3.44Å; V286-S289 VanDerWaalsContact O-N 3.12Å; V286-L290 WeakPolarHBondContact O-CB 3.32Å; V286-L290 PolarHBondContact O-N 2.59Å; V286-L374 HydrophobicContact CG1-CD1 3.72Å; V286-A377 HydrophobicContact CG1-CB 4.5Å; V286-K378 HydrophobicContact CG1-CG 4.1Å; V286-K378 HydrophobicContact CG2-CG 4.35Å; V286-L381 HydrophobicContact CG2-CD2 3.74Å; V286-I419 HydrophobicContact CG2-CG2 4.02Å; V286-V422 HydrophobicContact CB-CG1 4.22Å; V286-V422 HydrophobicContact CG1-CG1 4.17Å; V286-V422 HydrophobicContact CG2-CB 4.22Å; V286-V422 HydrophobicContact CG2-CG1 4.2Å; V286-V422 HydrophobicContact CG2-CG2 3.95Å; V286-I427 HydrophobicContact CB-CD1 3.94Å; V286-I427 HydrophobicContact CG1-CD1 3.74Å
287	L	97.4	Very high	91.7	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-55.6	-46	173.4	173.3	61.5	0	0	0	111.1	P283 F284 S289 L290 M291 F340 M365 I427 V430 V431 L434	P283-L287 WeakPolarHBondContact O-CB 3.41Å; P283-L287 PolarHBondContact O-N 2.63Å; F284-L287 HydrophobicContact CD1-CD2 4.22Å; F284-L287 PolarHBondContact O-N 2.68Å; L287-S289 PolarHBondContact O-N 3.47Å; L287-L290 WeakPolarHBondContact O-CB 3.21Å; L287-L290 PolarHBondContact O-N 3.37Å; L287-M291 HydrophobicContact CD1-CG 3.99Å; L287-M291 HydrophobicContact CD1-SD 4.13Å; L287-M291 HydrophobicContact CG-SD 4.5Å; L287-M291 WeakPolarHBondContact O-CG 3.5Å; L287-M291 PolarHBondContact O-N 3.31Å; L287-F340 HydrophobicContact CB-CE2 4.47Å; L287-F340 HydrophobicContact CD2-CD2 4.44Å; L287-F340 HydrophobicContact CD2-CE2 4Å; L287-F340 HydrophobicContact CD2-CZ 4.21Å; L287-F340 HydrophobicContact CG-CE2 3.9Å; L287-F340 HydrophobicContact CG-CZ 4Å; L287-M365 HydrophobicContact CD1-CE 3.62Å; L287-M365 HydrophobicContact CD1-CG 4.44Å; L287-M365 HydrophobicContact CD1-SD 4.49Å; L287-I427 HydrophobicContact CB-CD1 4.43Å; L287-I427 HydrophobicContact CB-CG2 4.47Å; L287-I427 HydrophobicContact CD1-CG2 3.98Å; L287-V430 HydrophobicContact CB-CG2 4.43Å; L287-V430 HydrophobicContact CD2-CG2 4.13Å; L287-V431 HydrophobicContact CD1-CG2 3.8Å; L287-V431 HydrophobicContact CD2-CG2 3.99Å; L287-L434 HydrophobicContact CD2-CD1 3.74Å
288	N	96.7	Very high	90.2	Very high	44 Å²	44	35.2 Å²	35.2	24%	0.235	21%	0.206	C	C	.	.	H	α-helix	trans	-60.9	-43.6	175.9	-175	49.3	0	0	0	111.9	F284 C285 V286 L290 M291 G292 S329 V330 N331 F340	F284-N288 PolarHBondContact O-N 3.23Å; C285-N288 PolarHBondContact O-N 3.45Å; V286-N288 VanDerWaalsContact C-N 3.3Å; V286-N288 PolarHBondContact O-N 3.1Å; N288-L290 VanDerWaalsContact C-N 3.26Å; N288-L290 PolarHBondContact O-N 2.92Å; N288-M291 PolarHBondContact O-N 3.3Å; N288-G292 WeakPolarHBondContact O-CA 3.06Å; N288-G292 PolarHBondContact O-N 3.41Å; N288-S329 PolarHBondContact O-OG 3.24Å; N288-S329 VanDerWaalsContact O-OG 3.1Å; N288-S329 WeakPolarHBondContact OD1-CB 3.34Å; N288-S329 PolarHBondContact OD1-O 3.05Å; N288-S329 PolarHBondContact OD1-OG 2.74Å; N288-V330 WeakPolarHBondContact OD1-CA 3.45Å; N288-V330 PolarHBondContact OD1-N 2.73Å; N288-N331 HydrophobicContact CB-CB 3.94Å; N288-F340 HydrophobicContact CB-CE2 3.87Å
289	S	95.2	Very high	88.2	Confident	22 Å²	22	35.3 Å²	35.3	15%	0.154	21%	0.212	C	C	.	.	H	α-helix	trans	-66.5	-28	177.3	-171	0	0	0	0	113.1	C285 V286 L287 A377	C285-S289 PolarHBondContact O-N 3.31Å; V286-S289 PolarHBondContact O-N 3.44Å; V286-S289 VanDerWaalsContact O-N 3.12Å; L287-S289 PolarHBondContact O-N 3.47Å; S289-A377 PolarHBondContact OG-O 3.31Å; S289-A377 VanDerWaalsContact OG-O 3.13Å
290	L	94.8	Very high	86.4	Confident	4 Å²	4	28.3 Å²	28.3	2%	0.021	18%	0.184	C	C	.	.	H	α-helix	trans	-76.4	-46.9	177.8	-173.4	162.6	0	0	0	110.9	V286 L287 N288 T308 R309 M365 I369 E373 A377	V286-L290 WeakPolarHBondContact O-CB 3.32Å; V286-L290 PolarHBondContact O-N 2.59Å; L287-L290 WeakPolarHBondContact O-CB 3.21Å; L287-L290 PolarHBondContact O-N 3.37Å; N288-L290 VanDerWaalsContact C-N 3.26Å; N288-L290 PolarHBondContact O-N 2.92Å; L290-T308 WeakPolarHBondContact O-CA 3.41Å; L290-R309 HydrophobicContact CD2-CG 3.79Å; L290-R309 PolarHBondContact O-N 3.48Å; L290-M365 HydrophobicContact CD1-CE 4.25Å; L290-M365 HydrophobicContact CD2-CE 3.47Å; L290-M365 VanDerWaalsContact CD2-CE 3.47Å; L290-M365 HydrophobicContact CD2-SD 3.9Å; L290-M365 HydrophobicContact CG-CE 4.47Å; L290-I369 HydrophobicContact CD1-CB 4.46Å; L290-I369 HydrophobicContact CD1-CD1 3.74Å; L290-I369 HydrophobicContact CD1-CG1 3.99Å; L290-I369 HydrophobicContact CD1-CG2 3.62Å; L290-E373 HydrophobicContact CD1-CG 4.43Å; L290-E373 HydrophobicContact CG-CG 4.18Å; L290-A377 HydrophobicContact CB-CB 3.85Å; L290-A377 HydrophobicContact CG-CB 4.43Å
291	M	94.9	Very high	84.6	Confident	1 Å²	1	29.9 Å²	29.9	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-68.1	-48.4	177.7	-66.9	-163.6	79	0	0	111.8	L287 N288 G293 T308 R309 L310 F340 I342 M362 M365	L287-M291 HydrophobicContact CD1-CG 3.99Å; L287-M291 HydrophobicContact CD1-SD 4.13Å; L287-M291 HydrophobicContact CG-SD 4.5Å; L287-M291 WeakPolarHBondContact O-CG 3.5Å; L287-M291 PolarHBondContact O-N 3.31Å; N288-M291 PolarHBondContact O-N 3.3Å; M291-G293 PolarHBondContact O-N 2.93Å; M291-T308 WeakPolarHBondContact O-CB 3.4Å; M291-R309 PolarHBondContact O-N 2.62Å; M291-L310 HydrophobicContact CB-CD1 4.36Å; M291-L310 HydrophobicContact CB-CG 4.48Å; M291-L310 HydrophobicContact CE-CD2 4.49Å; M291-L310 VanDerWaalsContact O-CB 3.31Å; M291-L310 WeakPolarHBondContact O-CB 3.31Å; M291-L310 WeakPolarHBondContact O-CG 3.27Å; M291-L310 PolarHBondContact O-N 3.01Å; M291-F340 HydrophobicContact CG-CZ 4.48Å; M291-F340 HydrophobicContact SD-CE1 3.76Å; M291-F340 HydrophobicContact SD-CZ 3.67Å; M291-I342 HydrophobicContact CE-CD1 3.43Å; M291-I342 VanDerWaalsContact CE-CD1 3.43Å; M291-I342 HydrophobicContact CE-CG1 4.36Å; M291-I342 HydrophobicContact SD-CD1 4.38Å; M291-M362 HydrophobicContact CE-SD 4.39Å; M291-M362 HydrophobicContact SD-CE 4.45Å; M291-M362 HydrophobicContact SD-SD 4.4Å; M291-M365 HydrophobicContact CE-CG 4.15Å; M291-M365 HydrophobicContact CG-CG 4.42Å; M291-M365 HydrophobicContact CG-SD 4.01Å; M291-M365 HydrophobicContact SD-CG 4.13Å; M291-M365 HydrophobicContact SD-SD 4.48Å
292	G	92.4	Very high	82.6	Confident	17 Å²	17	34.3 Å²	34.3	18%	0.175	23%	0.233	C	C	.	.			trans	49.3	-117.2	173.7	0	0	0	0	0	114.2	N288 L310 S329	N288-G292 WeakPolarHBondContact O-CA 3.06Å; N288-G292 PolarHBondContact O-N 3.41Å; G292-L310 WeakPolarHBondContact O-CD1 3.3Å; G292-S329 PolarHBondContact N-OG 2.74Å; G292-S329 VanDerWaalsContact N-OG 3.1Å; G292-S329 PolarHBondContact O-N 3.12Å; G292-S329 PolarHBondContact O-OG 3.07Å
293	G	89.7	Confident	80.9	Confident	21 Å²	21	36 Å²	36	22%	0.216	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	101.9	-146.1	-179.4	0	0	0	0	0	114.2	M291 T308 A327	M291-G293 PolarHBondContact O-N 2.93Å; G293-T308 PolarHBondContact N-OG1 3.2Å; G293-A327 CarbonylContact C-O 3.59Å; G293-A327 WeakPolarHBondContact CA-O 3.18Å
294	G	87.2	Confident	79.5	Confident	18 Å²	18	43.1 Å²	43.1	19%	0.186	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	141.5	-160.4	-176.4	0	0	0	0	0	113	L315 N326 A327 T328	G294-L315 WeakPolarHBondContact O-CD1 3.3Å; G294-N326 WeakPolarHBondContact O-CA 3.11Å; G294-A327 PolarHBondContact N-O 2.93Å; G294-A327 PolarHBondContact O-N 3.47Å; G294-T328 WeakPolarHBondContact CA-OG1 3.18Å; G294-T328 PolarHBondContact N-OG1 3.07Å
295	G	81.8	Confident	78.1	Confident	16 Å²	16	43.9 Å²	43.9	17%	0.165	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	143.4	174.7	0	0	0	0	0	112.6	F297 S298 A299 Y325	G295-F297 PolarHBondContact O-N 3.15Å; G295-S298 CarbonylContact O-C 3.47Å; G295-S298 PolarHBondContact O-N 3.14Å; G295-S298 VanDerWaalsContact O-N 3.1Å; G295-A299 PolarHBondContact O-N 2.93Å; G295-Y325 WeakPolarHBondContact CA-O 3.39Å
296	S	67	Low	77	Confident	42 Å²	42	45.6 Å²	45.6	29%	0.294	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-29.5	177.7	-71.9	0	0	0	0	113.4	L315 I324 Y325	S296-L315 WeakPolarHBondContact OG-CD2 3.32Å; S296-I324 PolarHBondContact OG-O 3.41Å; S296-Y325 WeakPolarHBondContact CB-O 3.39Å; S296-Y325 PolarHBondContact N-O 2.81Å; S296-Y325 PolarHBondContact OG-O 3.4Å
297	F	61.8	Low	76.4	Confident	162 Å²	162	53.4 Å²	53.4	71%	0.711	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-18	178.4	-64.8	-72.2	0	0	0	114.1	G295 Y325	G295-F297 PolarHBondContact O-N 3.15Å; F297-Y325 HydrophobicContact CD2-CD1 4.48Å; F297-Y325 AromaticContact CE2-CD1 3.61Å; F297-Y325 HydrophobicContact CE2-CD1 3.61Å; F297-Y325 AromaticContact CE2-CE1 3.64Å; F297-Y325 HydrophobicContact CE2-CE1 3.64Å; F297-Y325 HydrophobicContact CZ-CD1 4.35Å; F297-Y325 AromaticContact CZ-CE1 3.95Å; F297-Y325 HydrophobicContact CZ-CE1 3.95Å
298	S	60.5	Low	76.2	Confident	91 Å²	91	54.1 Å²	54.1	64%	0.636	33%	0.334	S	S	*	.			trans	-123.9	61.9	178	-167.4	0	0	0	0	108.5	G295 G300	G295-S298 CarbonylContact O-C 3.47Å; G295-S298 PolarHBondContact O-N 3.14Å; G295-S298 VanDerWaalsContact O-N 3.1Å; S298-G300 PolarHBondContact O-N 3.13Å
299	A	52.7	Low	76	Confident	38 Å²	38	53 Å²	53	31%	0.314	33%	0.327	S	S	.	.			trans	-63.5	87.2	153.5	0	0	0	0	0	104.9	G295 G301 Y311	G295-A299 PolarHBondContact O-N 2.93Å; A299-G301 PolarHBondContact O-N 2.97Å; A299-Y311 HydrophobicContact CB-CE2 3.55Å; A299-Y311 WeakPolarHBondContact CB-OH 3.49Å
300	G	55.9	Low	75.9	Confident	16 Å²	16	52 Å²	52	17%	0.165	32%	0.32	C	S	.	.			trans	-44.5	136.4	176.2	0	0	0	0	0	108.1	S298 K304	S298-G300 PolarHBondContact O-N 3.13Å; G300-K304 VanDerWaalsContact CA-CD 3.49Å
301	G	61	Low	75.7	Confident	38 Å²	38	52.9 Å²	52.9	39%	0.392	32%	0.323	S	S	.	.	S	Bend	trans	-50.6	173.1	-175.2	0	0	0	0	0	113.7	A299 G303 K304	A299-G301 PolarHBondContact O-N 2.97Å; G301-G303 PolarHBondContact O-N 3.03Å; G301-K304 WeakPolarHBondContact O-CB 3.42Å; G301-K304 WeakPolarHBondContact O-CG 3.49Å; G301-K304 PolarHBondContact O-N 3.11Å
302	P	55.8	Low	75.4	Confident	131 Å²	131	56.1 Å²	56.1	85%	0.851	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-41.5	125.3	-175.9	-29.6	34.3	0	0	0	112.7
303	G	61.2	Low	75.3	Confident	57 Å²	57	57.6 Å²	57.6	59%	0.588	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.3	-1.1	-176.9	0	0	0	0	0	116.3	G301 Q380	G301-G303 PolarHBondContact O-N 3.03Å; G303-Q380 PolarHBondContact O-OE1 2.78Å
304	K	68.6	Low	75.4	Confident	157 Å²	157	56.6 Å²	56.6	68%	0.683	33%	0.332	S	S	*	.	S	Bend	trans	-102.5	35.1	177.7	-61.1	-175	175.8	-175	0	114.3	G300 G301	G300-K304 VanDerWaalsContact CA-CD 3.49Å; G301-K304 WeakPolarHBondContact O-CB 3.42Å; G301-K304 WeakPolarHBondContact O-CG 3.49Å; G301-K304 PolarHBondContact O-N 3.11Å
305	G	69.2	Low	75.6	Confident	17 Å²	17	56.2 Å²	56.2	18%	0.175	33%	0.326	C	S	.	.	S	Bend	trans	91.2	21.4	174.3	0	0	0	0	0	116.6	Y307 T308	G305-Y307 PolarHBondContact O-N 3.12Å; G305-Y307 VanDerWaalsContact O-N 3.09Å; G305-T308 WeakPolarHBondContact O-CB 3.25Å; G305-T308 VanDerWaalsContact O-CG2 3.22Å; G305-T308 WeakPolarHBondContact O-CG2 3.34Å; G305-T308 PolarHBondContact O-N 3.08Å; G305-T308 PolarHBondContact O-OG1 3.29Å
306	M	76.1	Confident	75.8	Confident	66 Å²	66	58.9 Å²	58.9	33%	0.325	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-11	178	-63	-177.4	72.6	0	0	115	Y311 M312	M306-Y311 HydrophobicContact CB-CD1 4.39Å; M306-Y311 HydrophobicContact CB-CE1 4.17Å; M306-Y311 HydrophobicContact CE-CE1 4.44Å; M306-Y311 WeakPolarHBondContact O-CD1 3.26Å; M306-M312 VanDerWaalsContact O-SD 3.38Å
307	Y	85	Confident	76.5	Confident	163 Å²	163	63.4 Å²	63.4	64%	0.639	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	9.2	178.7	-74	-79.5	0	0	0	113.5	G305	G305-Y307 PolarHBondContact O-N 3.12Å; G305-Y307 VanDerWaalsContact O-N 3.09Å
308	T	91.9	Very high	76.9	Confident	15 Å²	15	64.7 Å²	64.7	9%	0.092	35%	0.347	C	S	.	.	S	Bend	trans	-74.3	151.6	178.7	59.2	0	0	0	0	110.8	L290 M291 G293 G305 L310 Y311 M312	L290-T308 WeakPolarHBondContact O-CA 3.41Å; M291-T308 WeakPolarHBondContact O-CB 3.4Å; G293-T308 PolarHBondContact N-OG1 3.2Å; G305-T308 WeakPolarHBondContact O-CB 3.25Å; G305-T308 VanDerWaalsContact O-CG2 3.22Å; G305-T308 WeakPolarHBondContact O-CG2 3.34Å; G305-T308 PolarHBondContact O-N 3.08Å; G305-T308 PolarHBondContact O-OG1 3.29Å; T308-L310 PolarHBondContact O-N 3.01Å; T308-Y311 PolarHBondContact O-N 3.11Å; T308-Y311 VanDerWaalsContact O-N 3.1Å; T308-Y311 VanDerWaalsContact OG1-CB 3.31Å; T308-Y311 WeakPolarHBondContact OG1-CB 3.36Å; T308-M312 PolarHBondContact O-N 2.79Å
309	R	92.6	Very high	77.7	Confident	22 Å²	22	67.6 Å²	67.6	8%	0.083	36%	0.361	C	S	.	.	H	α-helix	trans	-61.4	-45.6	-174.8	-74.9	-172.5	178.9	-167	1.7	112.9	L290 M291 Y311 M312 N313 S364 M365 G368 E373	L290-R309 HydrophobicContact CD2-CG 3.79Å; L290-R309 PolarHBondContact O-N 3.48Å; M291-R309 PolarHBondContact O-N 2.62Å; R309-Y311 PolarHBondContact O-N 3.01Å; R309-M312 PolarHBondContact O-N 3.13Å; R309-N313 VanDerWaalsContact O-CB 3.27Å; R309-N313 WeakPolarHBondContact O-CB 3.22Å; R309-N313 PolarHBondContact O-N 3.06Å; R309-S364 PolarHBondContact NH1-O 3.26Å; R309-M365 WeakPolarHBondContact CD-SD 3.32Å; R309-M365 PolarHBondContact NH1-SD 3.29Å; R309-G368 PolarHBondContact NH2-O 2.84Å; R309-G368 VanDerWaalsContact NH2-O 3.14Å; R309-E373 WeakPolarHBondContact CD-OE1 3.1Å; R309-E373 WeakPolarHBondContact CG-OE1 3.01Å; R309-E373 IonicContact CZ-OE1 3.84Å; R309-E373 IonicContact CZ-OE2 3.4Å; R309-E373 IonicContact NE-OE1 2.85Å; R309-E373 PolarHBondContact NE-OE1 2.91Å; R309-E373 IonicContact NE-OE2 3.17Å; R309-E373 PolarHBondContact NE-OE2 3.4Å; R309-E373 IonicContact NH2-OE1 3.95Å; R309-E373 IonicContact NH2-OE2 2.77Å; R309-E373 PolarHBondContact NH2-OE2 3.46Å
310	L	93.3	Very high	78.9	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	36%	0.359	C	S	.	.	I	π-helix	trans	-63.1	-31.3	177.4	-67.7	175.7	0	0	0	111.2	M291 G292 T308 V314 L315 A327 I342 I358 E361	M291-L310 HydrophobicContact CB-CD1 4.36Å; M291-L310 HydrophobicContact CB-CG 4.48Å; M291-L310 HydrophobicContact CE-CD2 4.49Å; M291-L310 VanDerWaalsContact O-CB 3.31Å; M291-L310 WeakPolarHBondContact O-CB 3.31Å; M291-L310 WeakPolarHBondContact O-CG 3.27Å; M291-L310 PolarHBondContact O-N 3.01Å; G292-L310 WeakPolarHBondContact O-CD1 3.3Å; T308-L310 PolarHBondContact O-N 3.01Å; L310-V314 HydrophobicContact CD2-CG2 4.1Å; L310-V314 WeakPolarHBondContact O-CA 3.47Å; L310-V314 WeakPolarHBondContact O-CB 3.4Å; L310-V314 PolarHBondContact O-N 3.48Å; L310-L315 PolarHBondContact O-N 2.85Å; L310-L315 VanDerWaalsContact O-N 3.12Å; L310-A327 HydrophobicContact CB-CB 4.36Å; L310-A327 HydrophobicContact CD2-CB 4.48Å; L310-I342 HydrophobicContact CD1-CG1 4.43Å; L310-I342 HydrophobicContact CD1-CG2 3.92Å; L310-I342 HydrophobicContact CD2-CG2 4.48Å; L310-I358 HydrophobicContact CD2-CD1 4.37Å; L310-E361 HydrophobicContact CD2-CB 4.25Å; L310-E361 HydrophobicContact CD2-CG 4.44Å
311	Y	90.7	Very high	80.4	Confident	23 Å²	23	68.7 Å²	68.7	9%	0.09	35%	0.354	C	S	.	.	I	π-helix	trans	-72.5	-54.8	172	-171.2	-89.5	0	0	0	112.4	A299 M306 T308 R309 L315 N316	A299-Y311 HydrophobicContact CB-CE2 3.55Å; A299-Y311 WeakPolarHBondContact CB-OH 3.49Å; M306-Y311 HydrophobicContact CB-CD1 4.39Å; M306-Y311 HydrophobicContact CB-CE1 4.17Å; M306-Y311 HydrophobicContact CE-CE1 4.44Å; M306-Y311 WeakPolarHBondContact O-CD1 3.26Å; T308-Y311 PolarHBondContact O-N 3.11Å; T308-Y311 VanDerWaalsContact O-N 3.1Å; T308-Y311 VanDerWaalsContact OG1-CB 3.31Å; T308-Y311 WeakPolarHBondContact OG1-CB 3.36Å; R309-Y311 PolarHBondContact O-N 3.01Å; Y311-L315 HydrophobicContact CD2-CB 4.22Å; Y311-L315 HydrophobicContact CD2-CD1 4.13Å; Y311-L315 PolarHBondContact O-N 3.02Å; Y311-L315 VanDerWaalsContact O-N 3.17Å; Y311-N316 HydrophobicContact CD1-CB 4.02Å; Y311-N316 HydrophobicContact CE1-CB 3.75Å; Y311-N316 VanDerWaalsContact O-CB 3.29Å; Y311-N316 WeakPolarHBondContact O-CB 3.4Å; Y311-N316 PolarHBondContact O-N 2.66Å
312	M	89.5	Confident	81.6	Confident	68 Å²	68	73.5 Å²	73.5	34%	0.335	37%	0.366	S	S	.	.	I	π-helix	trans	-69	-39.8	-172	-75.9	-63.5	-66.3	0	0	113.7	M306 T308 R309 R317	M306-M312 VanDerWaalsContact O-SD 3.38Å; T308-M312 PolarHBondContact O-N 2.79Å; R309-M312 PolarHBondContact O-N 3.13Å; M312-R317 PolarHBondContact O-NE 2.67Å
313	N	91	Very high	83.3	Confident	48 Å²	48	68.5 Å²	68.5	26%	0.257	33%	0.33	S	S	.	.	I	π-helix	trans	-92.8	-24.9	-175.3	-61.8	-18.7	0	0	0	112.4	R309 R317 Y321 E361	R309-N313 VanDerWaalsContact O-CB 3.27Å; R309-N313 WeakPolarHBondContact O-CB 3.22Å; R309-N313 PolarHBondContact O-N 3.06Å; N313-R317 WeakPolarHBondContact O-CG 3.49Å; N313-Y321 WeakPolarHBondContact O-CD2 3.28Å; N313-Y321 WeakPolarHBondContact O-CE2 3.45Å; N313-E361 WeakPolarHBondContact CB-OE1 3.49Å; N313-E361 VanDerWaalsContact CB-OE2 3.27Å; N313-E361 WeakPolarHBondContact CB-OE2 3.22Å; N313-E361 PolarHBondContact ND2-OE2 2.87Å
314	V	91.6	Very high	84.8	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	30%	0.302	C	S	.	.	I	π-helix	trans	-108.7	-72.1	-178	-166.7	0	0	0	0	111	L310 N316 R317 Y321 I324 A327 V357 E361	L310-V314 HydrophobicContact CD2-CG2 4.1Å; L310-V314 WeakPolarHBondContact O-CA 3.47Å; L310-V314 WeakPolarHBondContact O-CB 3.4Å; L310-V314 PolarHBondContact O-N 3.48Å; V314-N316 PolarHBondContact O-N 3.08Å; V314-R317 PolarHBondContact O-N 2.72Å; V314-Y321 WeakPolarHBondContact O-CB 2.97Å; V314-I324 HydrophobicContact CG1-CB 4.32Å; V314-I324 HydrophobicContact CG1-CD1 3.3Å; V314-I324 HydrophobicContact CG1-CG1 4.35Å; V314-I324 HydrophobicContact CG1-CG2 3.99Å; V314-A327 HydrophobicContact CG1-CB 4.34Å; V314-V357 HydrophobicContact CG1-CG1 3.92Å; V314-V357 HydrophobicContact CG2-CG1 4.02Å; V314-E361 HydrophobicContact CG2-CG 3.62Å
315	L	89.9	Confident	85.9	Confident	11 Å²	11	60.8 Å²	60.8	6%	0.058	28%	0.279	C	S	.	.	I	π-helix	trans	-70.9	-36.6	-167	-57.8	167.6	0	0	0	113.9	G294 S296 L310 Y311 R317 I324 A327	G294-L315 WeakPolarHBondContact O-CD1 3.3Å; S296-L315 WeakPolarHBondContact OG-CD2 3.32Å; L310-L315 PolarHBondContact O-N 2.85Å; L310-L315 VanDerWaalsContact O-N 3.12Å; Y311-L315 HydrophobicContact CD2-CB 4.22Å; Y311-L315 HydrophobicContact CD2-CD1 4.13Å; Y311-L315 PolarHBondContact O-N 3.02Å; Y311-L315 VanDerWaalsContact O-N 3.17Å; L315-R317 VanDerWaalsContact C-N 3.31Å; L315-R317 PolarHBondContact O-N 3.3Å; L315-I324 HydrophobicContact CD2-CG2 3.9Å; L315-A327 HydrophobicContact CD2-CB 4.16Å; L315-A327 HydrophobicContact CG-CB 4.34Å
316	N	85.7	Confident	87.1	Confident	71 Å²	71	60.4 Å²	60.4	38%	0.38	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-8.2	-178.6	-163.2	21.1	0	0	0	113	Y311 V314 R318	Y311-N316 HydrophobicContact CD1-CB 4.02Å; Y311-N316 HydrophobicContact CE1-CB 3.75Å; Y311-N316 VanDerWaalsContact O-CB 3.29Å; Y311-N316 WeakPolarHBondContact O-CB 3.4Å; Y311-N316 PolarHBondContact O-N 2.66Å; V314-N316 PolarHBondContact O-N 3.08Å; N316-R318 PolarHBondContact O-N 3.12Å
317	R	82.5	Confident	87.9	Confident	137 Å²	137	57.2 Å²	57.2	52%	0.517	26%	0.258	S	S	.	.			trans	-81.3	61.1	176.9	-64.8	-62	-172.9	153.2	4.4	111	M312 N313 V314 L315 V319 K320 Y321	M312-R317 PolarHBondContact O-NE 2.67Å; N313-R317 WeakPolarHBondContact O-CG 3.49Å; V314-R317 PolarHBondContact O-N 2.72Å; L315-R317 VanDerWaalsContact C-N 3.31Å; L315-R317 PolarHBondContact O-N 3.3Å; R317-V319 PolarHBondContact O-N 2.88Å; R317-K320 HydrophobicContact CB-CB 4.29Å; R317-K320 PolarHBondContact O-N 2.98Å; R317-Y321 HydrophobicContact CB-CD2 3.72Å; R317-Y321 HydrophobicContact CB-CE2 4.39Å; R317-Y321 HydrophobicContact CB-CG 4.44Å; R317-Y321 HydrophobicContact CG-CD2 4.24Å; R317-Y321 PolarHBondContact O-N 3.46Å
318	R	71.2	Confident	88.4	Confident	189 Å²	189	50.6 Å²	50.6	71%	0.713	23%	0.234	S	C	*	.	H	α-helix	trans	-51.5	-36.7	-175.3	-65.4	-172.3	179.4	-132.5	-1.4	113.8	N316 K320 H322	N316-R318 PolarHBondContact O-N 3.12Å; R318-K320 VanDerWaalsContact C-N 3.33Å; R318-K320 PolarHBondContact O-N 3.31Å; R318-H322 VanDerWaalsContact O-CB 3.25Å; R318-H322 WeakPolarHBondContact O-CB 3.1Å; R318-H322 PolarHBondContact O-N 2.96Å
319	V	75.4	Confident	88.6	Confident	152 Å²	152	50.2 Å²	50.2	92%	0.921	23%	0.232	S	C	*	.	H	α-helix	trans	-67.2	-34.6	178.2	-178.4	0	0	0	0	112.2	R317	R317-V319 PolarHBondContact O-N 2.88Å
320	K	79.7	Confident	88.8	Confident	63 Å²	63	50.3 Å²	50.3	27%	0.274	24%	0.235	S	C	.	.	H	α-helix	trans	-98.9	-36.6	-171.1	-159.3	-180	174.9	-168.2	0	112.9	R317 R318 W323 Y473 M476	R317-K320 HydrophobicContact CB-CB 4.29Å; R317-K320 PolarHBondContact O-N 2.98Å; R318-K320 VanDerWaalsContact C-N 3.33Å; R318-K320 PolarHBondContact O-N 3.31Å; K320-W323 PolarHBondContact O-NE1 2.91Å; K320-W323 VanDerWaalsContact O-NE1 3.12Å; K320-Y473 HydrophobicContact CD-CE1 4.3Å; K320-Y473 HydrophobicContact CG-CE1 4.06Å; K320-Y473 PolarHBondContact O-OH 2.92Å; K320-M476 PolarHBondContact NZ-SD 3.28Å
321	Y	86.7	Confident	89	Confident	15 Å²	15	51.3 Å²	51.3	6%	0.059	24%	0.24	C	C	.	.	H	α-helix	trans	-136.2	26.4	-165	-54.3	-42.2	0	0	0	113.7	N313 V314 R317 W323 I324 V357 Y473	N313-Y321 WeakPolarHBondContact O-CD2 3.28Å; N313-Y321 WeakPolarHBondContact O-CE2 3.45Å; V314-Y321 WeakPolarHBondContact O-CB 2.97Å; R317-Y321 HydrophobicContact CB-CD2 3.72Å; R317-Y321 HydrophobicContact CB-CE2 4.39Å; R317-Y321 HydrophobicContact CB-CG 4.44Å; R317-Y321 HydrophobicContact CG-CD2 4.24Å; R317-Y321 PolarHBondContact O-N 3.46Å; Y321-W323 HydrophobicContact CD1-CH2 4.34Å; Y321-W323 AromaticContact CD1-CZ2 3.71Å; Y321-W323 HydrophobicContact CD1-CZ2 3.71Å; Y321-W323 HydrophobicContact CE1-CZ2 4.38Å; Y321-W323 PolarHBondContact O-N 2.73Å; Y321-I324 HydrophobicContact CG-CD1 4.26Å; Y321-I324 PolarHBondContact O-N 2.76Å; Y321-V357 HydrophobicContact CD1-CG2 4.02Å; Y321-V357 HydrophobicContact CE1-CG1 4.43Å; Y321-V357 HydrophobicContact CE1-CG2 3.46Å; Y321-V357 VanDerWaalsContact CE1-CG2 3.46Å; Y321-V357 HydrophobicContact CE2-CG1 4.17Å; Y321-Y473 HydrophobicContact CE1-CD1 4.38Å; Y321-Y473 AromaticContact CE1-CE1 3.72Å; Y321-Y473 HydrophobicContact CE1-CE1 3.72Å; Y321-Y473 AromaticContact CE1-CZ 3.88Å
322	H	86.7	Confident	89.3	Confident	138 Å²	138	52.9 Å²	52.9	64%	0.639	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-16.1	177.5	67.7	88.5	0	0	0	114.6	R318 I324	R318-H322 VanDerWaalsContact O-CB 3.25Å; R318-H322 WeakPolarHBondContact O-CB 3.1Å; R318-H322 PolarHBondContact O-N 2.96Å; H322-I324 VanDerWaalsContact C-N 3.34Å
323	W	91.3	Very high	89.5	Confident	26 Å²	26	50.7 Å²	50.7	10%	0.098	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-2.8	-179.7	46.8	-97.7	0	0	0	113.7	K320 Y321 Y325 T346 N350 D353 L354 V357 Y473	K320-W323 PolarHBondContact O-NE1 2.91Å; K320-W323 VanDerWaalsContact O-NE1 3.12Å; Y321-W323 HydrophobicContact CD1-CH2 4.34Å; Y321-W323 AromaticContact CD1-CZ2 3.71Å; Y321-W323 HydrophobicContact CD1-CZ2 3.71Å; Y321-W323 HydrophobicContact CE1-CZ2 4.38Å; Y321-W323 PolarHBondContact O-N 2.73Å; W323-Y325 WeakPolarHBondContact O-CD2 2.93Å; W323-T346 WeakPolarHBondContact O-CB 2.92Å; W323-T346 PolarHBondContact O-OG1 3Å; W323-N350 VanDerWaalsContact CB-ND2 3.34Å; W323-N350 WeakPolarHBondContact CB-ND2 3.21Å; W323-N350 HydrophobicContact CD2-CB 4.07Å; W323-N350 HydrophobicContact CE3-CB 3.66Å; W323-N350 HydrophobicContact CZ3-CB 4.03Å; W323-D353 HydrophobicContact CH2-CB 3.69Å; W323-D353 HydrophobicContact CZ2-CB 4.11Å; W323-D353 HydrophobicContact CZ3-CB 4.38Å; W323-L354 HydrophobicContact CZ3-CB 4.03Å; W323-L354 HydrophobicContact CZ3-CD1 4.46Å; W323-V357 HydrophobicContact CH2-CG2 4.11Å; W323-Y473 HydrophobicContact CZ2-CE2 4.4Å
324	I	93	Very high	89.6	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	125	172.6	-56.9	-177.3	0	0	0	108.7	S296 V314 L315 Y321 H322 N326 A327 L354 V357	S296-I324 PolarHBondContact OG-O 3.41Å; V314-I324 HydrophobicContact CG1-CB 4.32Å; V314-I324 HydrophobicContact CG1-CD1 3.3Å; V314-I324 HydrophobicContact CG1-CG1 4.35Å; V314-I324 HydrophobicContact CG1-CG2 3.99Å; L315-I324 HydrophobicContact CD2-CG2 3.9Å; Y321-I324 HydrophobicContact CG-CD1 4.26Å; Y321-I324 PolarHBondContact O-N 2.76Å; H322-I324 VanDerWaalsContact C-N 3.34Å; I324-N326 WeakPolarHBondContact CG2-O 3.29Å; I324-A327 HydrophobicContact CG2-CB 4.45Å; I324-L354 HydrophobicContact CD1-CD1 3.68Å; I324-L354 HydrophobicContact CG1-CD1 3.89Å; I324-L354 HydrophobicContact CG2-CD1 3.98Å; I324-V357 HydrophobicContact CD1-CB 4.43Å; I324-V357 HydrophobicContact CD1-CG1 4.1Å
325	Y	91.4	Very high	89.5	Confident	51 Å²	51	51.7 Å²	51.7	20%	0.2	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-35	-173.7	-80.3	-101.4	0	0	0	112.2	P262 L264 G295 S296 F297 W323 S345	P262-Y325 HydrophobicContact CG-CD1 4.17Å; P262-Y325 HydrophobicContact CG-CE1 3.36Å; P262-Y325 HydrophobicContact CG-CE2 4.31Å; P262-Y325 VanDerWaalsContact CG-CZ 3.46Å; P262-Y325 WeakPolarHBondContact CG-OH 3.35Å; L264-Y325 HydrophobicContact CD2-CD1 4.11Å; L264-Y325 HydrophobicContact CD2-CD2 3.67Å; L264-Y325 HydrophobicContact CD2-CE2 4.18Å; L264-Y325 HydrophobicContact CD2-CG 3.64Å; G295-Y325 WeakPolarHBondContact CA-O 3.39Å; S296-Y325 WeakPolarHBondContact CB-O 3.39Å; S296-Y325 PolarHBondContact N-O 2.81Å; S296-Y325 PolarHBondContact OG-O 3.4Å; F297-Y325 HydrophobicContact CD2-CD1 4.48Å; F297-Y325 AromaticContact CE2-CD1 3.61Å; F297-Y325 HydrophobicContact CE2-CD1 3.61Å; F297-Y325 AromaticContact CE2-CE1 3.64Å; F297-Y325 HydrophobicContact CE2-CE1 3.64Å; F297-Y325 HydrophobicContact CZ-CD1 4.35Å; F297-Y325 AromaticContact CZ-CE1 3.95Å; F297-Y325 HydrophobicContact CZ-CE1 3.95Å; W323-Y325 WeakPolarHBondContact O-CD2 2.93Å; Y325-S345 WeakPolarHBondContact CB-OG 3.17Å; Y325-S345 PolarHBondContact N-O 3.36Å
326	N	92.9	Very high	89.5	Confident	9 Å²	9	53 Å²	53	5%	0.048	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	144.8	177.1	-167.1	-62.6	0	0	0	109.2	E173 G294 I324 T328 A344 S345	E173-N326 WeakPolarHBondContact OE1-CB 3.43Å; G294-N326 WeakPolarHBondContact O-CA 3.11Å; I324-N326 WeakPolarHBondContact CG2-O 3.29Å; N326-T328 PolarHBondContact OD1-OG1 3.15Å; N326-A344 CarbonylContact O-C 3.53Å; N326-A344 WeakPolarHBondContact O-CA 3.43Å; N326-A344 VanDerWaalsContact O-CB 3.23Å; N326-A344 WeakPolarHBondContact O-CB 3.28Å; N326-S345 WeakPolarHBondContact CB-OG 3.24Å; N326-S345 PolarHBondContact N-OG 3.14Å; N326-S345 VanDerWaalsContact N-OG 3.14Å; N326-S345 PolarHBondContact O-N 3.23Å
327	A	94.5	Very high	89.9	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	109	166.7	0	0	0	0	0	106.7	G293 G294 L310 V314 L315 I324 R343 A344 I358	G293-A327 CarbonylContact C-O 3.59Å; G293-A327 WeakPolarHBondContact CA-O 3.18Å; G294-A327 PolarHBondContact N-O 2.93Å; G294-A327 PolarHBondContact O-N 3.47Å; L310-A327 HydrophobicContact CB-CB 4.36Å; L310-A327 HydrophobicContact CD2-CB 4.48Å; V314-A327 HydrophobicContact CG1-CB 4.34Å; L315-A327 HydrophobicContact CD2-CB 4.16Å; L315-A327 HydrophobicContact CG-CB 4.34Å; I324-A327 HydrophobicContact CG2-CB 4.45Å; A327-R343 CarbonylContact C-O 3.55Å; A327-R343 VanDerWaalsContact CA-O 3.3Å; A327-R343 WeakPolarHBondContact CA-O 3.42Å; A327-A344 HydrophobicContact CB-CB 4.34Å; A327-I358 HydrophobicContact CB-CD1 4.14Å
328	T	95	Very high	90.6	Very high	24 Å²	24	43.3 Å²	43.3	15%	0.147	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	125.4	-172.3	-56.6	0	0	0	0	110	G294 N326 V330 I342 R343	G294-T328 WeakPolarHBondContact CA-OG1 3.18Å; G294-T328 PolarHBondContact N-OG1 3.07Å; N326-T328 PolarHBondContact OD1-OG1 3.15Å; T328-V330 HydrophobicContact CG2-CG2 4.36Å; T328-I342 WeakPolarHBondContact O-CA 3.21Å; T328-R343 PolarHBondContact N-O 3.45Å; T328-R343 PolarHBondContact O-N 2.92Å
329	S	96.3	Very high	91.8	Very high	7 Å²	7	34.3 Å²	34.3	5%	0.049	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	145.3	169.9	69.2	0	0	0	0	111.1	N288 G292 F341	N288-S329 PolarHBondContact O-OG 3.24Å; N288-S329 VanDerWaalsContact O-OG 3.1Å; N288-S329 WeakPolarHBondContact OD1-CB 3.34Å; N288-S329 PolarHBondContact OD1-O 3.05Å; N288-S329 PolarHBondContact OD1-OG 2.74Å; G292-S329 PolarHBondContact N-OG 2.74Å; G292-S329 VanDerWaalsContact N-OG 3.1Å; G292-S329 PolarHBondContact O-N 3.12Å; G292-S329 PolarHBondContact O-OG 3.07Å; S329-F341 CarbonylContact C-O 3.57Å; S329-F341 WeakPolarHBondContact CA-O 3.2Å
330	V	97.2	Very high	92.9	Very high	24 Å²	24	27 Å²	27	15%	0.145	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	134.2	177.7	-174.9	0	0	0	0	108.8	N288 T328 L332 F340 F341	N288-V330 WeakPolarHBondContact OD1-CA 3.45Å; N288-V330 PolarHBondContact OD1-N 2.73Å; T328-V330 HydrophobicContact CG2-CG2 4.36Å; V330-L332 HydrophobicContact CG1-CD1 4.48Å; V330-L332 HydrophobicContact CG1-CD2 4.09Å; V330-L332 HydrophobicContact CG1-CG 3.97Å; V330-F340 CarbonylContact O-C 3.6Å; V330-F340 WeakPolarHBondContact O-CA 3.27Å; V330-F341 HydrophobicContact CB-CD1 4.39Å; V330-F341 HydrophobicContact CB-CD2 4.12Å; V330-F341 HydrophobicContact CB-CE1 3.96Å; V330-F341 HydrophobicContact CB-CE2 3.66Å; V330-F341 HydrophobicContact CB-CG 4.47Å; V330-F341 HydrophobicContact CB-CZ 3.59Å; V330-F341 HydrophobicContact CG1-CE1 3.88Å; V330-F341 HydrophobicContact CG1-CE2 4.14Å; V330-F341 HydrophobicContact CG1-CZ 3.56Å; V330-F341 HydrophobicContact CG2-CD2 4.42Å; V330-F341 HydrophobicContact CG2-CE2 3.81Å; V330-F341 HydrophobicContact CG2-CZ 4.09Å; V330-F341 PolarHBondContact N-O 3.38Å; V330-F341 PolarHBondContact O-N 2.96Å
331	N	97.6	Very high	93.8	Very high	20 Å²	20	24 Å²	24	11%	0.107	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	124.7	170.3	-179.6	45.4	0	0	0	109.3	S273 N288 F340	S273-N331 PolarHBondContact OG-OD1 2.88Å; N288-N331 HydrophobicContact CB-CB 3.94Å; N331-F340 HydrophobicContact CB-CD2 3.78Å; N331-F340 HydrophobicContact CB-CE2 4.2Å
332	L	95.9	Very high	94.4	Very high	56 Å²	56	23.3 Å²	23.3	29%	0.293	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	120	175	-58.8	176	0	0	0	109	V330 Y334 G338 I339 F341	V330-L332 HydrophobicContact CG1-CD1 4.48Å; V330-L332 HydrophobicContact CG1-CD2 4.09Å; V330-L332 HydrophobicContact CG1-CG 3.97Å; L332-Y334 HydrophobicContact CB-CE2 4.08Å; L332-G338 CarbonylContact O-C 3.52Å; L332-G338 VanDerWaalsContact O-CA 3.23Å; L332-G338 WeakPolarHBondContact O-CA 3.08Å; L332-I339 HydrophobicContact CB-CG2 4.12Å; L332-I339 HydrophobicContact CD1-CG2 4.48Å; L332-I339 PolarHBondContact N-O 2.85Å; L332-I339 PolarHBondContact O-N 3.27Å; L332-F341 HydrophobicContact CD1-CE1 3.92Å; L332-F341 HydrophobicContact CD1-CZ 4.28Å; L332-F341 HydrophobicContact CG-CE1 4.3Å
333	G	94	Very high	94.9	Very high	22 Å²	22	17.4 Å²	17.4	23%	0.227	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	134.8	173.4	0	0	0	0	0	111
334	Y	93.4	Very high	95.1	Very high	23 Å²	23	16.3 Å²	16.3	9%	0.09	10%	0.095	C	C	.	.			trans	-112.3	-178.3	175.6	-61.1	-79.9	0	0	0	110.3	D120 H183 L192 K275 F276 L332 D336 S337	D120-Y334 WeakPolarHBondContact OD2-CD1 3.48Å; H183-Y334 AromaticContact NE2-CE2 3.56Å; H183-Y334 AromaticContact NE2-CZ 3.59Å; H183-Y334 PolarHBondContact NE2-OH 2.8Å; L192-Y334 HydrophobicContact CD1-CD1 4.35Å; L192-Y334 HydrophobicContact CD1-CD2 3.39Å; L192-Y334 HydrophobicContact CD1-CE2 3.83Å; L192-Y334 HydrophobicContact CD1-CG 3.69Å; L192-Y334 HydrophobicContact CD2-CD1 3.68Å; L192-Y334 HydrophobicContact CD2-CD2 4.17Å; L192-Y334 HydrophobicContact CD2-CE1 3.76Å; L192-Y334 HydrophobicContact CD2-CE2 4.24Å; L192-Y334 HydrophobicContact CD2-CG 3.89Å; L192-Y334 HydrophobicContact CG-CD2 4.43Å; L192-Y334 HydrophobicContact CG-CG 4.46Å; K275-Y334 CarbonylContact C-O 3.57Å; K275-Y334 WeakPolarHBondContact CA-O 3.35Å; K275-Y334 WeakPolarHBondContact CB-O 3.33Å; F276-Y334 VanDerWaalsContact CD1-C 3.44Å; F276-Y334 WeakPolarHBondContact CD1-O 3.38Å; F276-Y334 VanDerWaalsContact CE1-O 3.29Å; F276-Y334 WeakPolarHBondContact CE1-O 3.43Å; F276-Y334 PolarHBondContact N-O 2.95Å; F276-Y334 VanDerWaalsContact N-O 3.08Å; L332-Y334 HydrophobicContact CB-CE2 4.08Å; Y334-D336 VanDerWaalsContact C-N 3.25Å; Y334-D336 PolarHBondContact O-N 2.83Å; Y334-S337 CarbonylContact C-O 3.49Å; Y334-S337 WeakPolarHBondContact CA-O 3.45Å; Y334-S337 WeakPolarHBondContact CB-O 3.32Å; Y334-S337 PolarHBondContact N-O 2.97Å
335	A	89.4	Confident	95.3	Very high	47 Å²	47	16.3 Å²	16.3	39%	0.388	10%	0.095	S	C	.	.	S	Bend	trans	-67.7	-28.6	179.8	0	0	0	0	0	113.4	K275 F276	K275-A335 WeakPolarHBondContact CB-O 3.44Å; F276-A335 HydrophobicContact CE1-CB 3.9Å; F276-A335 HydrophobicContact CZ-CB 3.67Å
336	D	89.8	Confident	95.4	Very high	38 Å²	38	13.9 Å²	13.9	20%	0.203	9%	0.086	C	C	.	.	S	Bend	trans	-128.8	-12.7	-167.6	57.2	-30.7	0	0	0	114	R72 L237 A238 Y334	R72-D336 IonicContact CZ-OD1 2.72Å; R72-D336 IonicContact CZ-OD2 2.59Å; R72-D336 IonicContact NH1-OD1 3.45Å; R72-D336 PolarHBondContact NH1-OD1 3.07Å; R72-D336 IonicContact NH1-OD2 2.68Å; R72-D336 VanDerWaalsContact NH2-CG 3.33Å; R72-D336 IonicContact NH2-OD1 2.82Å; R72-D336 PolarHBondContact NH2-OD1 2.97Å; R72-D336 IonicContact NH2-OD2 2.92Å; R72-D336 PolarHBondContact NH2-OD2 3.38Å; L237-D336 WeakPolarHBondContact CA-OD2 3.44Å; L237-D336 HydrophobicContact CD2-CB 3.91Å; A238-D336 WeakPolarHBondContact CB-OD2 2.87Å; A238-D336 PolarHBondContact N-OD2 2.7Å; Y334-D336 VanDerWaalsContact C-N 3.25Å; Y334-D336 PolarHBondContact O-N 2.83Å
337	S	94.2	Very high	95.5	Very high	4 Å²	4	16 Å²	16	3%	0.028	10%	0.095	C	C	.	.			trans	-152.9	179.8	177.5	-169.6	0	0	0	0	111.2	Y187 C274 K275 Y334	Y187-S337 WeakPolarHBondContact CE1-OG 3.46Å; Y187-S337 WeakPolarHBondContact OH-CB 3.41Å; Y187-S337 PolarHBondContact OH-OG 2.79Å; C274-S337 CarbonylContact C-O 3.54Å; K275-S337 WeakPolarHBondContact CA-O 3.47Å; K275-S337 PolarHBondContact N-O 3.45Å; Y334-S337 CarbonylContact C-O 3.49Å; Y334-S337 WeakPolarHBondContact CA-O 3.45Å; Y334-S337 WeakPolarHBondContact CB-O 3.32Å; Y334-S337 PolarHBondContact N-O 2.97Å
338	G	96.2	Very high	95.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	157.8	168.5	0	0	0	0	0	111.8	Y187 S273 C274 L332	Y187-G338 PolarHBondContact OH-O 2.7Å; S273-G338 PolarHBondContact N-O 2.66Å; S273-G338 WeakPolarHBondContact OG-CA 3.16Å; C274-G338 VanDerWaalsContact O-CA 3.31Å; C274-G338 WeakPolarHBondContact O-CA 3.16Å; L332-G338 CarbonylContact O-C 3.52Å; L332-G338 VanDerWaalsContact O-CA 3.23Å; L332-G338 WeakPolarHBondContact O-CA 3.08Å
339	I	98	Very high	95.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	131.6	173	-166.2	171.8	0	0	0	110.7	I182 H183 A186 Y240 F271 S273 L332 F341	I182-I339 HydrophobicContact CG1-CD1 3.82Å; I182-I339 HydrophobicContact CG2-CD1 4.37Å; H183-I339 WeakPolarHBondContact NE2-CG2 3.42Å; A186-I339 HydrophobicContact CB-CD1 3.75Å; Y240-I339 HydrophobicContact CE2-CD1 4.22Å; Y240-I339 HydrophobicContact CE2-CG1 4.16Å; F271-I339 WeakPolarHBondContact O-CA 3.44Å; F271-I339 WeakPolarHBondContact O-CG1 3.12Å; S273-I339 PolarHBondContact OG-N 2.93Å; L332-I339 HydrophobicContact CB-CG2 4.12Å; L332-I339 HydrophobicContact CD1-CG2 4.48Å; L332-I339 PolarHBondContact N-O 2.85Å; L332-I339 PolarHBondContact O-N 3.27Å; I339-F341 HydrophobicContact CD1-CD1 4.33Å; I339-F341 HydrophobicContact CG1-CD1 4.06Å; I339-F341 HydrophobicContact CG2-CD1 3.99Å; I339-F341 HydrophobicContact CG2-CE1 4.02Å
340	F	98.6	Very high	95.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	127.7	168.5	-171	-75.9	0	0	0	108.3	G270 F271 F284 L287 N288 M291 V330 N331 I342 M362 L434	G270-F340 CarbonylContact C-O 3.07Å; G270-F340 VanDerWaalsContact CA-O 3.28Å; G270-F340 WeakPolarHBondContact CA-O 3.38Å; F271-F340 PolarHBondContact N-O 3.4Å; F271-F340 PolarHBondContact O-N 3.45Å; F284-F340 HydrophobicContact CD1-CD2 4.46Å; L287-F340 HydrophobicContact CB-CE2 4.47Å; L287-F340 HydrophobicContact CD2-CD2 4.44Å; L287-F340 HydrophobicContact CD2-CE2 4Å; L287-F340 HydrophobicContact CD2-CZ 4.21Å; L287-F340 HydrophobicContact CG-CE2 3.9Å; L287-F340 HydrophobicContact CG-CZ 4Å; N288-F340 HydrophobicContact CB-CE2 3.87Å; M291-F340 HydrophobicContact CG-CZ 4.48Å; M291-F340 HydrophobicContact SD-CE1 3.76Å; M291-F340 HydrophobicContact SD-CZ 3.67Å; V330-F340 CarbonylContact O-C 3.6Å; V330-F340 WeakPolarHBondContact O-CA 3.27Å; N331-F340 HydrophobicContact CB-CD2 3.78Å; N331-F340 HydrophobicContact CB-CE2 4.2Å; F340-I342 HydrophobicContact CE1-CG1 4.42Å; F340-M362 HydrophobicContact CD1-CE 3.94Å; F340-M362 HydrophobicContact CE1-CE 3.86Å; F340-L434 HydrophobicContact CB-CD1 3.97Å; F340-L434 HydrophobicContact CB-CD2 3.88Å; F340-L434 HydrophobicContact CD1-CD1 3.75Å; F340-L434 HydrophobicContact CD2-CD1 4.3Å; F340-L434 HydrophobicContact CE1-CD1 4.33Å; F340-L434 HydrophobicContact CG-CD1 3.74Å
341	F	98.4	Very high	95.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	156.8	-179.3	60.1	-88.9	0	0	0	112.9	N179 I182 V268 I269 S329 V330 L332 I339 R343	N179-F341 VanDerWaalsContact OD1-CE2 3.32Å; N179-F341 WeakPolarHBondContact OD1-CE2 3.45Å; N179-F341 WeakPolarHBondContact OD1-CZ 3.22Å; I182-F341 HydrophobicContact CG1-CB 4.16Å; I182-F341 HydrophobicContact CG1-CG 4.3Å; I182-F341 HydrophobicContact CG2-CD1 4.03Å; I182-F341 HydrophobicContact CG2-CD2 4.2Å; I182-F341 HydrophobicContact CG2-CE1 4.01Å; I182-F341 HydrophobicContact CG2-CE2 4.18Å; I182-F341 HydrophobicContact CG2-CG 4.11Å; I182-F341 HydrophobicContact CG2-CZ 4.08Å; V268-F341 HydrophobicContact CG1-CB 4.04Å; V268-F341 HydrophobicContact CG1-CD2 3.67Å; V268-F341 HydrophobicContact CG1-CG 4.19Å; I269-F341 CarbonylContact O-C 3.58Å; I269-F341 WeakPolarHBondContact O-CA 3.37Å; I269-F341 VanDerWaalsContact O-CB 3.22Å; I269-F341 WeakPolarHBondContact O-CB 3.42Å; S329-F341 CarbonylContact C-O 3.57Å; S329-F341 WeakPolarHBondContact CA-O 3.2Å; V330-F341 HydrophobicContact CB-CD1 4.39Å; V330-F341 HydrophobicContact CB-CD2 4.12Å; V330-F341 HydrophobicContact CB-CE1 3.96Å; V330-F341 HydrophobicContact CB-CE2 3.66Å; V330-F341 HydrophobicContact CB-CG 4.47Å; V330-F341 HydrophobicContact CB-CZ 3.59Å; V330-F341 HydrophobicContact CG1-CE1 3.88Å; V330-F341 HydrophobicContact CG1-CE2 4.14Å; V330-F341 HydrophobicContact CG1-CZ 3.56Å; V330-F341 HydrophobicContact CG2-CD2 4.42Å; V330-F341 HydrophobicContact CG2-CE2 3.81Å; V330-F341 HydrophobicContact CG2-CZ 4.09Å; V330-F341 PolarHBondContact N-O 3.38Å; V330-F341 PolarHBondContact O-N 2.96Å; L332-F341 HydrophobicContact CD1-CE1 3.92Å; L332-F341 HydrophobicContact CD1-CZ 4.28Å; L332-F341 HydrophobicContact CG-CE1 4.3Å; I339-F341 HydrophobicContact CD1-CD1 4.33Å; I339-F341 HydrophobicContact CG1-CD1 4.06Å; I339-F341 HydrophobicContact CG2-CD1 3.99Å; I339-F341 HydrophobicContact CG2-CE1 4.02Å; F341-R343 HydrophobicContact CD2-CG 3.7Å; F341-R343 HydrophobicContact CE2-CG 3.64Å
342	I	98.1	Very high	95	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	121.3	173.3	-57.8	169.7	0	0	0	107.4	V268 I269 M291 L310 T328 F340 I358 M362	V268-I342 VanDerWaalsContact CA-O 3.31Å; V268-I342 WeakPolarHBondContact CA-O 3.46Å; V268-I342 WeakPolarHBondContact CG1-O 3Å; I269-I342 HydrophobicContact CG2-CB 4.22Å; I269-I342 PolarHBondContact N-O 3.31Å; I269-I342 PolarHBondContact O-N 3.49Å; M291-I342 HydrophobicContact CE-CD1 3.43Å; M291-I342 VanDerWaalsContact CE-CD1 3.43Å; M291-I342 HydrophobicContact CE-CG1 4.36Å; M291-I342 HydrophobicContact SD-CD1 4.38Å; L310-I342 HydrophobicContact CD1-CG1 4.43Å; L310-I342 HydrophobicContact CD1-CG2 3.92Å; L310-I342 HydrophobicContact CD2-CG2 4.48Å; T328-I342 WeakPolarHBondContact O-CA 3.21Å; F340-I342 HydrophobicContact CE1-CG1 4.42Å; I342-I358 HydrophobicContact CB-CG2 4.05Å; I342-I358 HydrophobicContact CD1-CG2 4Å; I342-I358 HydrophobicContact CG2-CD1 4.17Å; I342-I358 HydrophobicContact CG2-CG2 3.85Å; I342-M362 HydrophobicContact CD1-CE 3.97Å; I342-M362 HydrophobicContact CG1-CE 4.49Å
343	R	97.3	Very high	95	Very high	14 Å²	14	22.3 Å²	22.3	5%	0.053	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	136.5	169.5	-53.8	-171.7	-54.3	-107.2	-2.8	108.8	E175 N179 V268 A327 T328 F341	E175-R343 IonicContact OE1-NH2 3.57Å; E175-R343 IonicContact OE2-CZ 2.7Å; E175-R343 IonicContact OE2-NH2 3.77Å; E175-R343 PolarHBondContact OE2-NH2 2.77Å; N179-R343 PolarHBondContact ND2-NH1 3.16Å; N179-R343 WeakPolarHBondContact OD1-CD 3.47Å; N179-R343 PolarHBondContact OD1-NH1 3.02Å; V268-R343 HydrophobicContact CG1-CG 3.87Å; V268-R343 HydrophobicContact CG2-CB 4.21Å; V268-R343 HydrophobicContact CG2-CG 3.91Å; A327-R343 CarbonylContact C-O 3.55Å; A327-R343 VanDerWaalsContact CA-O 3.3Å; A327-R343 WeakPolarHBondContact CA-O 3.42Å; T328-R343 PolarHBondContact N-O 3.45Å; T328-R343 PolarHBondContact O-N 2.92Å; F341-R343 HydrophobicContact CD2-CG 3.7Å; F341-R343 HydrophobicContact CE2-CG 3.64Å
344	A	96.7	Very high	95	Very high	2 Å²	2	21.3 Å²	21.3	2%	0.017	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	155.8	174.6	0	0	0	0	0	112.1	H266 F267 N326 A327 L354 I358	H266-A344 WeakPolarHBondContact CA-O 3.25Å; F267-A344 PolarHBondContact N-O 3.38Å; F267-A344 PolarHBondContact O-N 3.46Å; N326-A344 CarbonylContact O-C 3.53Å; N326-A344 WeakPolarHBondContact O-CA 3.43Å; N326-A344 VanDerWaalsContact O-CB 3.23Å; N326-A344 WeakPolarHBondContact O-CB 3.28Å; A327-A344 HydrophobicContact CB-CB 4.34Å; A344-L354 HydrophobicContact CB-CD1 3.87Å; A344-L354 HydrophobicContact CB-CD2 3.86Å; A344-L354 HydrophobicContact CB-CG 4.19Å; A344-I358 HydrophobicContact CB-CD1 3.95Å; A344-I358 HydrophobicContact CB-CG1 4Å
345	S	95.6	Very high	95.1	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.007	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	144.1	-179.2	65.5	0	0	0	0	111.4	E173 G265 Y325 N326	E173-S345 WeakPolarHBondContact OE1-CB 3.4Å; E173-S345 PolarHBondContact OE1-OG 3.01Å; G265-S345 WeakPolarHBondContact O-CA 3.45Å; Y325-S345 WeakPolarHBondContact CB-OG 3.17Å; Y325-S345 PolarHBondContact N-O 3.36Å; N326-S345 WeakPolarHBondContact CB-OG 3.24Å; N326-S345 PolarHBondContact N-OG 3.14Å; N326-S345 VanDerWaalsContact N-OG 3.14Å; N326-S345 PolarHBondContact O-N 3.23Å
346	T	94.5	Very high	95.4	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	167.7	176.6	-172.3	0	0	0	0	110.6	L264 G265 W323 N350 L351 L354	L264-T346 CarbonylContact C-O 3.59Å; L264-T346 WeakPolarHBondContact CA-O 3.45Å; G265-T346 PolarHBondContact N-O 3.46Å; G265-T346 PolarHBondContact O-N 2.85Å; W323-T346 WeakPolarHBondContact O-CB 2.92Å; W323-T346 PolarHBondContact O-OG1 3Å; T346-N350 HydrophobicContact CG2-CB 4.32Å; T346-L351 HydrophobicContact CG2-CB 4.39Å; T346-L351 HydrophobicContact CG2-CD1 4.1Å; T346-L354 HydrophobicContact CG2-CB 3.81Å; T346-L354 HydrophobicContact CG2-CD2 3.6Å; T346-L354 HydrophobicContact CG2-CG 4.27Å
347	H	94.1	Very high	95.6	Very high	53 Å²	53	16.8 Å²	16.8	25%	0.245	9%	0.087	C	C	.	.			trans	-59.9	134.2	165.7	-173.9	-76.8	0	0	0	110.8	E263 K349 N350	E263-H347 WeakPolarHBondContact O-CA 3.38Å; H347-K349 PolarHBondContact ND1-N 3.07Å; H347-K349 PolarHBondContact O-N 3.13Å; H347-N350 PolarHBondContact O-N 2.86Å
348	P	94.8	Very high	95.7	Very high	12 Å²	12	16.6 Å²	16.6	8%	0.078	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-49.3	-33.1	-173.4	-34.1	37.6	0	0	0	116.5	E263 N350 L351	E263-P348 HydrophobicContact CG-CG 3.88Å; E263-P348 VanDerWaalsContact O-CD 3.32Å; E263-P348 WeakPolarHBondContact O-CD 3.43Å; P348-N350 PolarHBondContact O-N 3.42Å; P348-L351 VanDerWaalsContact O-CB 3.32Å; P348-L351 WeakPolarHBondContact O-CB 3.16Å; P348-L351 PolarHBondContact O-N 2.77Å
349	K	93.6	Very high	95.7	Very high	158 Å²	158	16.6 Å²	16.6	69%	0.687	9%	0.086	S	C	*	.	G	3₁₀ helix	trans	-54.3	-32.5	174.4	-71.3	173.5	-176.6	172.5	0	113.8	H347	H347-K349 PolarHBondContact ND1-N 3.07Å; H347-K349 PolarHBondContact O-N 3.13Å
350	N	94.2	Very high	95.5	Very high	43 Å²	43	18.6 Å²	18.6	23%	0.23	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-102.4	7.3	-175.5	-54.7	-33.9	0	0	0	112.8	W323 T346 H347 P348 G352 D353 L354	W323-N350 VanDerWaalsContact CB-ND2 3.34Å; W323-N350 WeakPolarHBondContact CB-ND2 3.21Å; W323-N350 HydrophobicContact CD2-CB 4.07Å; W323-N350 HydrophobicContact CE3-CB 3.66Å; W323-N350 HydrophobicContact CZ3-CB 4.03Å; T346-N350 HydrophobicContact CG2-CB 4.32Å; H347-N350 PolarHBondContact O-N 2.86Å; P348-N350 PolarHBondContact O-N 3.42Å; N350-G352 VanDerWaalsContact C-N 3.27Å; N350-G352 PolarHBondContact O-N 3.18Å; N350-D353 PolarHBondContact O-N 2.77Å; N350-L354 PolarHBondContact O-N 3.18Å
351	L	94.4	Very high	95.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.3	-35.6	-173.2	-168.6	58.9	0	0	0	112.8	F267 T346 P348 L354 V355 L447 K449 L450	F267-L351 HydrophobicContact CB-CD1 4.08Å; T346-L351 HydrophobicContact CG2-CB 4.39Å; T346-L351 HydrophobicContact CG2-CD1 4.1Å; P348-L351 VanDerWaalsContact O-CB 3.32Å; P348-L351 WeakPolarHBondContact O-CB 3.16Å; P348-L351 PolarHBondContact O-N 2.77Å; L351-L354 HydrophobicContact CD1-CD2 4.19Å; L351-L354 PolarHBondContact O-N 2.98Å; L351-V355 WeakPolarHBondContact O-CG2 3.35Å; L351-V355 PolarHBondContact O-N 3.46Å; L351-L447 HydrophobicContact CD2-CD2 3.95Å; L351-K449 HydrophobicContact CB-CB 4.19Å; L351-L450 HydrophobicContact CD2-CB 3.71Å; L351-L450 HydrophobicContact CD2-CD1 4.28Å; L351-L450 HydrophobicContact CD2-CG 4.46Å; L351-L450 HydrophobicContact CG-CB 4.19Å; L351-L450 HydrophobicContact CG-CD1 4.1Å
352	G	94.5	Very high	95	Very high	17 Å²	17	19.4 Å²	19.4	18%	0.175	10%	0.104	C	C	.	.	H	α-helix	trans	-66.2	-38	174.6	0	0	0	0	0	113.4	N350 V355 G356 K449	N350-G352 VanDerWaalsContact C-N 3.27Å; N350-G352 PolarHBondContact O-N 3.18Å; G352-V355 PolarHBondContact O-N 2.7Å; G352-G356 PolarHBondContact O-N 3.22Å; G352-K449 VanDerWaalsContact CA-O 3.29Å; G352-K449 WeakPolarHBondContact CA-O 3.33Å; G352-K449 PolarHBondContact N-O 2.94Å
353	D	94.2	Very high	94.8	Very high	35 Å²	35	20.1 Å²	20.1	19%	0.187	11%	0.107	C	C	.	.	H	α-helix	trans	-72.3	-37.3	176.7	-66.3	-27.7	0	0	0	111.1	W323 N350 V355 G356 V357 S470 S472 Y473	W323-D353 HydrophobicContact CH2-CB 3.69Å; W323-D353 HydrophobicContact CZ2-CB 4.11Å; W323-D353 HydrophobicContact CZ3-CB 4.38Å; N350-D353 PolarHBondContact O-N 2.77Å; D353-V355 VanDerWaalsContact C-N 3.31Å; D353-V355 PolarHBondContact O-N 2.77Å; D353-G356 PolarHBondContact O-N 2.89Å; D353-G356 VanDerWaalsContact O-N 3.14Å; D353-V357 WeakPolarHBondContact O-CG2 3.36Å; D353-V357 PolarHBondContact O-N 2.9Å; D353-S470 PolarHBondContact OD1-OG 3.39Å; D353-S472 PolarHBondContact OD1-OG 2.85Å; D353-Y473 HydrophobicContact CB-CE2 4.08Å
354	L	95.3	Very high	94.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-55.4	-46.8	172.9	179.2	63.6	0	0	0	111.4	F267 W323 I324 A344 T346 N350 L351 G356 V357 I358	F267-L354 HydrophobicContact CB-CD2 4.09Å; W323-L354 HydrophobicContact CZ3-CB 4.03Å; W323-L354 HydrophobicContact CZ3-CD1 4.46Å; I324-L354 HydrophobicContact CD1-CD1 3.68Å; I324-L354 HydrophobicContact CG1-CD1 3.89Å; I324-L354 HydrophobicContact CG2-CD1 3.98Å; A344-L354 HydrophobicContact CB-CD1 3.87Å; A344-L354 HydrophobicContact CB-CD2 3.86Å; A344-L354 HydrophobicContact CB-CG 4.19Å; T346-L354 HydrophobicContact CG2-CB 3.81Å; T346-L354 HydrophobicContact CG2-CD2 3.6Å; T346-L354 HydrophobicContact CG2-CG 4.27Å; N350-L354 PolarHBondContact O-N 3.18Å; L351-L354 HydrophobicContact CD1-CD2 4.19Å; L351-L354 PolarHBondContact O-N 2.98Å; L354-G356 VanDerWaalsContact C-N 3.31Å; L354-G356 PolarHBondContact O-N 2.83Å; L354-V357 PolarHBondContact O-N 3.35Å; L354-I358 HydrophobicContact CD1-CD1 4.34Å; L354-I358 HydrophobicContact CD1-CG1 3.97Å; L354-I358 HydrophobicContact CG-CG1 4.3Å; L354-I358 WeakPolarHBondContact O-CG1 3.37Å; L354-I358 PolarHBondContact O-N 3.07Å
355	V	96.3	Very high	94.4	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-58.3	-44.8	177.2	172.7	0	0	0	0	111.1	F267 L351 G352 D353 V357 I358 C359 L450 P451 I456 L468	F267-V355 HydrophobicContact CD1-CG2 3.91Å; F267-V355 HydrophobicContact CD2-CG2 3.8Å; F267-V355 HydrophobicContact CE1-CB 4.32Å; F267-V355 HydrophobicContact CE1-CG1 4.38Å; F267-V355 HydrophobicContact CE1-CG2 3.85Å; F267-V355 HydrophobicContact CE2-CG2 3.72Å; F267-V355 HydrophobicContact CG-CG2 3.88Å; F267-V355 HydrophobicContact CZ-CB 4.32Å; F267-V355 HydrophobicContact CZ-CG1 4.02Å; F267-V355 HydrophobicContact CZ-CG2 3.74Å; L351-V355 WeakPolarHBondContact O-CG2 3.35Å; L351-V355 PolarHBondContact O-N 3.46Å; G352-V355 PolarHBondContact O-N 2.7Å; D353-V355 VanDerWaalsContact C-N 3.31Å; D353-V355 PolarHBondContact O-N 2.77Å; V355-V357 PolarHBondContact O-N 3.31Å; V355-I358 PolarHBondContact O-N 3.37Å; V355-C359 VanDerWaalsContact O-CB 3.31Å; V355-C359 WeakPolarHBondContact O-CB 3.39Å; V355-C359 PolarHBondContact O-N 2.9Å; V355-C359 PolarHBondContact O-SG 3.09Å; V355-L450 HydrophobicContact CG2-CD1 3.69Å; V355-P451 HydrophobicContact CB-CG 4.34Å; V355-P451 HydrophobicContact CG1-CG 4.27Å; V355-P451 HydrophobicContact CG2-CG 4.49Å; V355-I456 HydrophobicContact CG1-CD1 3.75Å; V355-I456 HydrophobicContact CG1-CG1 3.79Å; V355-I456 HydrophobicContact CG2-CD1 4.5Å; V355-L468 HydrophobicContact CG1-CD1 4.31Å; V355-L468 HydrophobicContact CG1-CD2 4.06Å
356	G	94.7	Very high	94	Very high	10 Å²	10	23.2 Å²	23.2	10%	0.103	13%	0.126	C	C	.	.	H	α-helix	trans	-57.7	-46.6	175.9	0	0	0	0	0	112.6	G352 D353 L354 S360	G352-G356 PolarHBondContact O-N 3.22Å; D353-G356 PolarHBondContact O-N 2.89Å; D353-G356 VanDerWaalsContact O-N 3.14Å; L354-G356 VanDerWaalsContact C-N 3.31Å; L354-G356 PolarHBondContact O-N 2.83Å; G356-S360 VanDerWaalsContact O-CB 3.28Å; G356-S360 WeakPolarHBondContact O-CB 3.32Å; G356-S360 PolarHBondContact O-N 2.98Å
357	V	94.5	Very high	93.7	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.024	16%	0.161	C	C	.	.	H	α-helix	trans	-63.7	-49.3	179.2	175.3	0	0	0	0	111.6	V314 Y321 W323 I324 D353 L354 V355 C359 S360 E361	V314-V357 HydrophobicContact CG1-CG1 3.92Å; V314-V357 HydrophobicContact CG2-CG1 4.02Å; Y321-V357 HydrophobicContact CD1-CG2 4.02Å; Y321-V357 HydrophobicContact CE1-CG1 4.43Å; Y321-V357 HydrophobicContact CE1-CG2 3.46Å; Y321-V357 VanDerWaalsContact CE1-CG2 3.46Å; Y321-V357 HydrophobicContact CE2-CG1 4.17Å; W323-V357 HydrophobicContact CH2-CG2 4.11Å; I324-V357 HydrophobicContact CD1-CB 4.43Å; I324-V357 HydrophobicContact CD1-CG1 4.1Å; D353-V357 WeakPolarHBondContact O-CG2 3.36Å; D353-V357 PolarHBondContact O-N 2.9Å; L354-V357 PolarHBondContact O-N 3.35Å; V355-V357 PolarHBondContact O-N 3.31Å; V357-C359 PolarHBondContact O-N 3.38Å; V357-S360 WeakPolarHBondContact O-CB 3.43Å; V357-S360 PolarHBondContact O-N 3.34Å; V357-E361 PolarHBondContact O-N 3.35Å
358	I	95.9	Very high	93.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65.4	-41.2	-179.1	-61.8	-56.4	0	0	0	111.5	F267 I269 L310 A327 I342 A344 L354 V355 S360 E361 M362	F267-I358 HydrophobicContact CE1-CB 4.23Å; F267-I358 HydrophobicContact CE1-CG2 4.23Å; I269-I358 HydrophobicContact CG2-CG2 3.67Å; L310-I358 HydrophobicContact CD2-CD1 4.37Å; A327-I358 HydrophobicContact CB-CD1 4.14Å; I342-I358 HydrophobicContact CB-CG2 4.05Å; I342-I358 HydrophobicContact CD1-CG2 4Å; I342-I358 HydrophobicContact CG2-CD1 4.17Å; I342-I358 HydrophobicContact CG2-CG2 3.85Å; A344-I358 HydrophobicContact CB-CD1 3.95Å; A344-I358 HydrophobicContact CB-CG1 4Å; L354-I358 HydrophobicContact CD1-CD1 4.34Å; L354-I358 HydrophobicContact CD1-CG1 3.97Å; L354-I358 HydrophobicContact CG-CG1 4.3Å; L354-I358 WeakPolarHBondContact O-CG1 3.37Å; L354-I358 PolarHBondContact O-N 3.07Å; V355-I358 PolarHBondContact O-N 3.37Å; I358-S360 VanDerWaalsContact C-N 3.32Å; I358-S360 PolarHBondContact O-N 3.25Å; I358-E361 PolarHBondContact O-N 2.6Å; I358-M362 PolarHBondContact O-N 3.3Å
359	C	95.7	Very high	93.2	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.6	-39.8	174.7	-66.5	0	0	0	0	111.3	V355 V357 M362 L363 I460 L465 L468	V355-C359 VanDerWaalsContact O-CB 3.31Å; V355-C359 WeakPolarHBondContact O-CB 3.39Å; V355-C359 PolarHBondContact O-N 2.9Å; V355-C359 PolarHBondContact O-SG 3.09Å; V357-C359 PolarHBondContact O-N 3.38Å; C359-M362 PolarHBondContact O-N 2.87Å; C359-L363 VanDerWaalsContact O-CG 3.31Å; C359-L363 WeakPolarHBondContact O-CG 3.15Å; C359-L363 PolarHBondContact O-N 2.84Å; C359-I460 HydrophobicContact CB-CD1 3.97Å; C359-L465 HydrophobicContact CB-CD2 3.63Å; C359-L468 HydrophobicContact CB-CD1 3.99Å
360	S	94.1	Very high	93.2	Very high	41 Å²	41	26.8 Å²	26.8	29%	0.287	16%	0.156	S	C	.	.	H	α-helix	trans	-61.5	-44.6	175.9	-172.1	0	0	0	0	112.2	G356 V357 I358 M362 L363 S364	G356-S360 VanDerWaalsContact O-CB 3.28Å; G356-S360 WeakPolarHBondContact O-CB 3.32Å; G356-S360 PolarHBondContact O-N 2.98Å; V357-S360 WeakPolarHBondContact O-CB 3.43Å; V357-S360 PolarHBondContact O-N 3.34Å; I358-S360 VanDerWaalsContact C-N 3.32Å; I358-S360 PolarHBondContact O-N 3.25Å; S360-M362 VanDerWaalsContact C-N 3.32Å; S360-M362 PolarHBondContact O-N 2.82Å; S360-L363 PolarHBondContact O-N 2.98Å; S360-S364 WeakPolarHBondContact O-CB 3.24Å; S360-S364 PolarHBondContact O-N 2.93Å
361	E	94	Very high	93.2	Very high	18 Å²	18	32.2 Å²	32.2	8%	0.084	18%	0.178	C	C	.	.	H	α-helix	trans	-66.4	-34.7	176.7	-69	-56.1	128.8	0	0	112.2	L310 N313 V314 V357 I358 S364 M365	L310-E361 HydrophobicContact CD2-CB 4.25Å; L310-E361 HydrophobicContact CD2-CG 4.44Å; N313-E361 WeakPolarHBondContact CB-OE1 3.49Å; N313-E361 VanDerWaalsContact CB-OE2 3.27Å; N313-E361 WeakPolarHBondContact CB-OE2 3.22Å; N313-E361 PolarHBondContact ND2-OE2 2.87Å; V314-E361 HydrophobicContact CG2-CG 3.62Å; V357-E361 PolarHBondContact O-N 3.35Å; I358-E361 PolarHBondContact O-N 2.6Å; E361-S364 PolarHBondContact O-N 3.47Å; E361-S364 PolarHBondContact O-OG 3.48Å; E361-M365 PolarHBondContact O-N 3.37Å
362	M	93.7	Very high	93.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-68.6	-39.5	175.5	-174.6	53.3	102.1	0	0	111.9	F271 M291 F340 I342 I358 C359 S360 M365 L434 L435	F271-M362 HydrophobicContact CD2-CE 3.57Å; F271-M362 HydrophobicContact CE2-CE 3.27Å; F271-M362 HydrophobicContact CE2-CG 4.02Å; F271-M362 HydrophobicContact CE2-SD 4.39Å; F271-M362 HydrophobicContact CZ-CE 4.09Å; F271-M362 HydrophobicContact CZ-CG 3.91Å; M291-M362 HydrophobicContact CE-SD 4.39Å; M291-M362 HydrophobicContact SD-CE 4.45Å; M291-M362 HydrophobicContact SD-SD 4.4Å; F340-M362 HydrophobicContact CD1-CE 3.94Å; F340-M362 HydrophobicContact CE1-CE 3.86Å; I342-M362 HydrophobicContact CD1-CE 3.97Å; I342-M362 HydrophobicContact CG1-CE 4.49Å; I358-M362 PolarHBondContact O-N 3.3Å; C359-M362 PolarHBondContact O-N 2.87Å; S360-M362 VanDerWaalsContact C-N 3.32Å; S360-M362 PolarHBondContact O-N 2.82Å; M362-M365 WeakPolarHBondContact O-CB 3Å; M362-M365 PolarHBondContact O-N 2.79Å; M362-L434 HydrophobicContact CE-CD1 4.16Å; M362-L435 HydrophobicContact CG-CD2 3.71Å; M362-L435 HydrophobicContact SD-CD2 4.48Å
363	L	93.8	Very high	93.2	Very high	15 Å²	15	37.6 Å²	37.6	8%	0.079	20%	0.202	C	C	.	.	H	α-helix	trans	-71	-33.3	175.3	-66.9	-179.2	0	0	0	112.5	C359 S360 M365 N366 L435 I460 R463 L465	C359-L363 VanDerWaalsContact O-CG 3.31Å; C359-L363 WeakPolarHBondContact O-CG 3.15Å; C359-L363 PolarHBondContact O-N 2.84Å; S360-L363 PolarHBondContact O-N 2.98Å; L363-M365 PolarHBondContact O-N 2.82Å; L363-N366 WeakPolarHBondContact O-CB 3.26Å; L363-N366 PolarHBondContact O-N 2.7Å; L363-L435 HydrophobicContact CD2-CD1 4.32Å; L363-L435 HydrophobicContact CD2-CD2 3.97Å; L363-I460 HydrophobicContact CD2-CD1 4.2Å; L363-I460 HydrophobicContact CG-CD1 4.24Å; L363-R463 HydrophobicContact CD2-CB 4.37Å; L363-R463 VanDerWaalsContact CD2-CD 3.42Å; L363-R463 HydrophobicContact CD2-CG 4.49Å; L363-L465 HydrophobicContact CD1-CD2 3.67Å; L363-L465 HydrophobicContact CD1-CG 3.84Å
364	S	92.7	Very high	93.3	Very high	26 Å²	26	36.3 Å²	36.3	18%	0.182	20%	0.195	C	C	.	.	H	α-helix	trans	-65.8	-20.2	178.8	81	0	0	0	0	113	R309 S360 E361 N366 H367	R309-S364 PolarHBondContact NH1-O 3.26Å; S360-S364 WeakPolarHBondContact O-CB 3.24Å; S360-S364 PolarHBondContact O-N 2.93Å; E361-S364 PolarHBondContact O-N 3.47Å; E361-S364 PolarHBondContact O-OG 3.48Å; S364-N366 PolarHBondContact O-N 2.71Å; S364-H367 PolarHBondContact O-N 3.42Å; S364-H367 VanDerWaalsContact O-N 3.14Å
365	M	92	Very high	93.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-19.7	170.4	-66.9	-50.7	-49.5	0	0	113.4	L287 L290 M291 R309 E361 M362 L363 I369 I427 V431	L287-M365 HydrophobicContact CD1-CE 3.62Å; L287-M365 HydrophobicContact CD1-CG 4.44Å; L287-M365 HydrophobicContact CD1-SD 4.49Å; L290-M365 HydrophobicContact CD1-CE 4.25Å; L290-M365 HydrophobicContact CD2-CE 3.47Å; L290-M365 VanDerWaalsContact CD2-CE 3.47Å; L290-M365 HydrophobicContact CD2-SD 3.9Å; L290-M365 HydrophobicContact CG-CE 4.47Å; M291-M365 HydrophobicContact CE-CG 4.15Å; M291-M365 HydrophobicContact CG-CG 4.42Å; M291-M365 HydrophobicContact CG-SD 4.01Å; M291-M365 HydrophobicContact SD-CG 4.13Å; M291-M365 HydrophobicContact SD-SD 4.48Å; R309-M365 WeakPolarHBondContact CD-SD 3.32Å; R309-M365 PolarHBondContact NH1-SD 3.29Å; E361-M365 PolarHBondContact O-N 3.37Å; M362-M365 WeakPolarHBondContact O-CB 3Å; M362-M365 PolarHBondContact O-N 2.79Å; L363-M365 PolarHBondContact O-N 2.82Å; M365-I369 HydrophobicContact CE-CD1 3.82Å; M365-I369 HydrophobicContact CE-CG1 4.08Å; M365-I427 HydrophobicContact CE-CG2 4.38Å; M365-V431 HydrophobicContact CB-CB 4.37Å; M365-V431 HydrophobicContact CB-CG1 3.68Å; M365-V431 HydrophobicContact CB-CG2 3.71Å
366	N	87.2	Confident	93.3	Very high	55 Å²	55	45.2 Å²	45.2	29%	0.294	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	7.6	178.3	-160.1	29.1	0	0	0	113.5	L363 S364 V431 N432 L435	L363-N366 WeakPolarHBondContact O-CB 3.26Å; L363-N366 PolarHBondContact O-N 2.7Å; S364-N366 PolarHBondContact O-N 2.71Å; N366-V431 HydrophobicContact CB-CG1 4.18Å; N366-N432 PolarHBondContact ND2-OD1 3.11Å; N366-N432 PolarHBondContact OD1-ND2 3.14Å; N366-N432 PolarHBondContact OD1-OD1 3.23Å; N366-L435 HydrophobicContact CB-CD1 4.28Å
367	H	87.4	Confident	93.3	Very high	157 Å²	157	45 Å²	45	73%	0.727	23%	0.229	S	C	*	.	S	Bend	trans	-101.1	17.7	178.3	-62.1	-40.1	0	0	0	113.2	S364	S364-H367 PolarHBondContact O-N 3.42Å; S364-H367 VanDerWaalsContact O-N 3.14Å
368	G	87.4	Confident	93.4	Very high	32 Å²	32	45.4 Å²	45.4	33%	0.33	23%	0.231	S	C	.	.			trans	86.4	163.1	-176.9	0	0	0	0	0	113.4	R309	R309-G368 PolarHBondContact NH2-O 2.84Å; R309-G368 VanDerWaalsContact NH2-O 3.14Å
369	I	92.6	Very high	93.3	Very high	20 Å²	20	49.3 Å²	49.3	10%	0.103	25%	0.254	C	S	.	.			trans	-127.4	132.5	-175.9	-69.7	155.7	0	0	0	108.8	L290 M365 E373 L374 I427	L290-I369 HydrophobicContact CD1-CB 4.46Å; L290-I369 HydrophobicContact CD1-CD1 3.74Å; L290-I369 HydrophobicContact CD1-CG1 3.99Å; L290-I369 HydrophobicContact CD1-CG2 3.62Å; M365-I369 HydrophobicContact CE-CD1 3.82Å; M365-I369 HydrophobicContact CE-CG1 4.08Å; I369-E373 HydrophobicContact CG2-CB 4.41Å; I369-L374 HydrophobicContact CG2-CB 3.89Å; I369-I427 HydrophobicContact CD1-CB 3.46Å; I369-I427 VanDerWaalsContact CD1-CB 3.46Å; I369-I427 HydrophobicContact CD1-CG1 4.06Å; I369-I427 HydrophobicContact CD1-CG2 3.12Å
370	D	92.6	Very high	93.2	Very high	90 Å²	90	53 Å²	53	48%	0.481	27%	0.272	S	S	.	.			trans	-65.7	142.8	175.3	177.4	69.8	0	0	0	110.9	D372 E373 L374	D370-D372 VanDerWaalsContact C-N 3.31Å; D370-D372 PolarHBondContact O-N 2.82Å; D370-D372 WeakPolarHBondContact OD2-CA 3.3Å; D370-D372 WeakPolarHBondContact OD2-CB 3.22Å; D370-D372 PolarHBondContact OD2-N 3.25Å; D370-E373 HydrophobicContact CB-CB 4.04Å; D370-E373 WeakPolarHBondContact O-CB 3.47Å; D370-E373 PolarHBondContact O-N 3.34Å; D370-E373 PolarHBondContact OD2-N 2.76Å; D370-L374 PolarHBondContact O-N 3.49Å
371	K	95	Very high	93.2	Very high	157 Å²	157	52.6 Å²	52.6	68%	0.683	27%	0.266	S	S	*	.	H	α-helix	trans	-61.3	-41.2	-176.5	-175	-179	175.9	-175.9	0	111.8	E373 L374 E375	K371-E373 VanDerWaalsContact C-N 3.32Å; K371-L374 PolarHBondContact O-N 2.92Å; K371-E375 WeakPolarHBondContact O-CG 3.26Å; K371-E375 PolarHBondContact O-N 3.21Å
372	D	94.2	Very high	93.3	Very high	102 Å²	102	54.2 Å²	54.2	55%	0.545	27%	0.273	S	S	.	.	H	α-helix	trans	-71.8	-32.9	-179.1	-62	-25.4	0	0	0	110.6	D370 R376	D370-D372 VanDerWaalsContact C-N 3.31Å; D370-D372 PolarHBondContact O-N 2.82Å; D370-D372 WeakPolarHBondContact OD2-CA 3.3Å; D370-D372 WeakPolarHBondContact OD2-CB 3.22Å; D370-D372 PolarHBondContact OD2-N 3.25Å; D372-R376 VanDerWaalsContact C-NH1 3.28Å; D372-R376 VanDerWaalsContact CB-NH1 3.32Å; D372-R376 WeakPolarHBondContact O-CB 3.37Å; D372-R376 VanDerWaalsContact O-CG 3.23Å; D372-R376 WeakPolarHBondContact O-CG 3.49Å; D372-R376 PolarHBondContact O-N 2.65Å; D372-R376 PolarHBondContact O-NH1 2.93Å
373	E	93.5	Very high	93.3	Very high	27 Å²	27	57.3 Å²	57.3	13%	0.126	30%	0.295	C	S	.	.	H	α-helix	trans	-61.7	-47.9	171.9	-174.7	179.9	-146.2	0	0	112.2	L290 R309 I369 D370 K371 R376 A377	L290-E373 HydrophobicContact CD1-CG 4.43Å; L290-E373 HydrophobicContact CG-CG 4.18Å; R309-E373 WeakPolarHBondContact CD-OE1 3.1Å; R309-E373 WeakPolarHBondContact CG-OE1 3.01Å; R309-E373 IonicContact CZ-OE1 3.84Å; R309-E373 IonicContact CZ-OE2 3.4Å; R309-E373 IonicContact NE-OE1 2.85Å; R309-E373 PolarHBondContact NE-OE1 2.91Å; R309-E373 IonicContact NE-OE2 3.17Å; R309-E373 PolarHBondContact NE-OE2 3.4Å; R309-E373 IonicContact NH2-OE1 3.95Å; R309-E373 IonicContact NH2-OE2 2.77Å; R309-E373 PolarHBondContact NH2-OE2 3.46Å; I369-E373 HydrophobicContact CG2-CB 4.41Å; D370-E373 HydrophobicContact CB-CB 4.04Å; D370-E373 WeakPolarHBondContact O-CB 3.47Å; D370-E373 PolarHBondContact O-N 3.34Å; D370-E373 PolarHBondContact OD2-N 2.76Å; K371-E373 VanDerWaalsContact C-N 3.32Å; E373-R376 VanDerWaalsContact CA-NH2 3.28Å; E373-R376 PolarHBondContact O-N 3.42Å; E373-A377 PolarHBondContact O-N 2.87Å
374	L	96.7	Very high	93.2	Very high	9 Å²	9	58.6 Å²	58.6	5%	0.047	31%	0.305	C	S	.	.	H	α-helix	trans	-62.4	-46.6	177.6	-178.7	58.9	0	0	0	111.9	V286 I369 D370 K371 R376 A377 K378 A424 I427	V286-L374 HydrophobicContact CG1-CD1 3.72Å; I369-L374 HydrophobicContact CG2-CB 3.89Å; D370-L374 PolarHBondContact O-N 3.49Å; K371-L374 PolarHBondContact O-N 2.92Å; L374-R376 VanDerWaalsContact C-N 3.34Å; L374-R376 PolarHBondContact O-N 2.77Å; L374-A377 PolarHBondContact O-N 2.88Å; L374-K378 HydrophobicContact CD1-CD 4.12Å; L374-K378 HydrophobicContact CD1-CG 4.37Å; L374-K378 HydrophobicContact CG-CD 3.88Å; L374-K378 WeakPolarHBondContact O-CG 3.49Å; L374-K378 PolarHBondContact O-N 3.07Å; L374-A424 HydrophobicContact CD2-CB 4.24Å; L374-I427 HydrophobicContact CD1-CD1 4.47Å; L374-I427 HydrophobicContact CD1-CG1 4.04Å
375	E	97	Very high	93.2	Very high	79 Å²	79	59.1 Å²	59.1	37%	0.369	31%	0.305	S	S	.	.	H	α-helix	trans	-66.2	-35.1	-179.6	-71.6	-54.8	133.8	0	0	112.5	K371 K378 T379	K371-E375 WeakPolarHBondContact O-CG 3.26Å; K371-E375 PolarHBondContact O-N 3.21Å; E375-K378 WeakPolarHBondContact OE1-CE 3.37Å; E375-K378 IonicContact OE1-NZ 2.8Å; E375-K378 PolarHBondContact OE1-NZ 2.76Å; E375-K378 IonicContact OE2-NZ 3.79Å; E375-T379 WeakPolarHBondContact O-CB 3.41Å; E375-T379 PolarHBondContact O-N 2.63Å; E375-T379 PolarHBondContact O-OG1 3.44Å
376	R	93.8	Very high	93.3	Very high	107 Å²	107	62 Å²	62	40%	0.404	32%	0.32	S	S	.	.	H	α-helix	trans	-62.5	-46.7	170.7	-77.1	-172.8	-51.9	-91.3	4.8	111.7	D372 E373 L374 K378 T379 Q380	D372-R376 VanDerWaalsContact C-NH1 3.28Å; D372-R376 VanDerWaalsContact CB-NH1 3.32Å; D372-R376 WeakPolarHBondContact O-CB 3.37Å; D372-R376 VanDerWaalsContact O-CG 3.23Å; D372-R376 WeakPolarHBondContact O-CG 3.49Å; D372-R376 PolarHBondContact O-N 2.65Å; D372-R376 PolarHBondContact O-NH1 2.93Å; E373-R376 VanDerWaalsContact CA-NH2 3.28Å; E373-R376 PolarHBondContact O-N 3.42Å; L374-R376 VanDerWaalsContact C-N 3.34Å; L374-R376 PolarHBondContact O-N 2.77Å; R376-K378 PolarHBondContact O-N 2.75Å; R376-T379 PolarHBondContact O-N 3.37Å; R376-Q380 WeakPolarHBondContact O-CB 3.34Å; R376-Q380 PolarHBondContact O-N 3.05Å
377	A	94.5	Very high	93.5	Very high	6 Å²	6	64.7 Å²	64.7	5%	0.05	33%	0.332	C	S	.	.	H	α-helix	trans	-61.4	-44.6	178.7	0	0	0	0	0	111.6	V286 S289 L290 E373 L374 T379 Q380 L381	V286-A377 HydrophobicContact CG1-CB 4.5Å; S289-A377 PolarHBondContact OG-O 3.31Å; S289-A377 VanDerWaalsContact OG-O 3.13Å; L290-A377 HydrophobicContact CB-CB 3.85Å; L290-A377 HydrophobicContact CG-CB 4.43Å; E373-A377 PolarHBondContact O-N 2.87Å; L374-A377 PolarHBondContact O-N 2.88Å; A377-T379 PolarHBondContact O-N 3.44Å; A377-Q380 PolarHBondContact O-N 3.07Å; A377-L381 WeakPolarHBondContact O-CB 3.39Å; A377-L381 PolarHBondContact O-N 3.43Å
378	K	97.2	Very high	93.7	Very high	13 Å²	13	60.1 Å²	60.1	6%	0.057	31%	0.313	C	S	.	.	H	α-helix	trans	-59.6	-46.6	175	-72.1	164.6	60.5	172	0	111.7	V286 L374 E375 R376 L381 K382 I419 G420 V422	V286-K378 HydrophobicContact CG1-CG 4.1Å; V286-K378 HydrophobicContact CG2-CG 4.35Å; L374-K378 HydrophobicContact CD1-CD 4.12Å; L374-K378 HydrophobicContact CD1-CG 4.37Å; L374-K378 HydrophobicContact CG-CD 3.88Å; L374-K378 WeakPolarHBondContact O-CG 3.49Å; L374-K378 PolarHBondContact O-N 3.07Å; E375-K378 WeakPolarHBondContact OE1-CE 3.37Å; E375-K378 IonicContact OE1-NZ 2.8Å; E375-K378 PolarHBondContact OE1-NZ 2.76Å; E375-K378 IonicContact OE2-NZ 3.79Å; R376-K378 PolarHBondContact O-N 2.75Å; K378-L381 PolarHBondContact O-N 3.43Å; K378-K382 WeakPolarHBondContact O-CB 3.2Å; K378-K382 VanDerWaalsContact O-CG 3.23Å; K378-K382 WeakPolarHBondContact O-CG 3.01Å; K378-K382 PolarHBondContact O-N 3.33Å; K378-I419 HydrophobicContact CB-CG2 3.97Å; K378-I419 WeakPolarHBondContact CE-O 3.22Å; K378-I419 HydrophobicContact CG-CG2 4.08Å; K378-G420 VanDerWaalsContact CE-O 3.28Å; K378-G420 WeakPolarHBondContact CE-O 3.36Å; K378-G420 PolarHBondContact NZ-O 2.96Å; K378-V422 PolarHBondContact NZ-O 3.47Å; K378-V422 VanDerWaalsContact NZ-O 3.08Å
379	T	94.9	Very high	93.9	Very high	81 Å²	81	58.8 Å²	58.8	50%	0.497	30%	0.299	S	S	.	.	H	α-helix	trans	-61.8	-46.5	178.2	-58.4	0	0	0	0	111.1	E375 R376 A377 L381 K382 S383	E375-T379 WeakPolarHBondContact O-CB 3.41Å; E375-T379 PolarHBondContact O-N 2.63Å; E375-T379 PolarHBondContact O-OG1 3.44Å; R376-T379 PolarHBondContact O-N 3.37Å; A377-T379 PolarHBondContact O-N 3.44Å; T379-L381 PolarHBondContact O-N 2.95Å; T379-K382 PolarHBondContact O-N 3.45Å; T379-S383 WeakPolarHBondContact O-CB 3.47Å; T379-S383 PolarHBondContact O-N 3.12Å; T379-S383 PolarHBondContact O-OG 3.49Å; T379-S383 VanDerWaalsContact O-OG 3.12Å
380	Q	92.4	Very high	93.7	Very high	77 Å²	77	65 Å²	65	36%	0.36	33%	0.327	S	S	.	.	H	α-helix	trans	-61.4	-43.3	178.6	-175.1	63.8	55.5	0	0	112	G303 R376 A377 S383 S384	G303-Q380 PolarHBondContact O-OE1 2.78Å; R376-Q380 WeakPolarHBondContact O-CB 3.34Å; R376-Q380 PolarHBondContact O-N 3.05Å; A377-Q380 PolarHBondContact O-N 3.07Å; Q380-S383 PolarHBondContact O-N 3.41Å; Q380-S384 WeakPolarHBondContact O-CB 3.46Å; Q380-S384 PolarHBondContact O-N 3.18Å
381	L	95.2	Very high	93.5	Very high	33 Å²	33	65.7 Å²	65.7	17%	0.173	33%	0.328	C	S	.	.	H	α-helix	trans	-65.1	-45.1	177.8	-178.2	62	0	0	0	111.6	C285 V286 A377 K378 T379 S383 S384 L385 I419	C285-L381 HydrophobicContact CB-CD1 4.46Å; C285-L381 HydrophobicContact CB-CD2 3.79Å; V286-L381 HydrophobicContact CG2-CD2 3.74Å; A377-L381 WeakPolarHBondContact O-CB 3.39Å; A377-L381 PolarHBondContact O-N 3.43Å; K378-L381 PolarHBondContact O-N 3.43Å; T379-L381 PolarHBondContact O-N 2.95Å; L381-S383 PolarHBondContact O-N 2.94Å; L381-S384 PolarHBondContact O-N 3.36Å; L381-L385 WeakPolarHBondContact O-CB 3.37Å; L381-L385 PolarHBondContact O-N 3.13Å; L381-I419 HydrophobicContact CD2-CD1 3.8Å; L381-I419 HydrophobicContact CD2-CG1 3.84Å; L381-I419 HydrophobicContact CD2-CG2 4.13Å; L381-I419 HydrophobicContact CG-CD1 3.81Å; L381-I419 HydrophobicContact CG-CG1 4.39Å
382	K	96	Very high	93.1	Very high	53 Å²	53	63.1 Å²	63.1	23%	0.23	31%	0.314	C	S	.	.	H	α-helix	trans	-58.4	-47.9	175	-71.3	171.2	-176.4	-149	0	111.3	K378 T379 L385 L386 V416 I419 G420	K378-K382 WeakPolarHBondContact O-CB 3.2Å; K378-K382 VanDerWaalsContact O-CG 3.23Å; K378-K382 WeakPolarHBondContact O-CG 3.01Å; K378-K382 PolarHBondContact O-N 3.33Å; T379-K382 PolarHBondContact O-N 3.45Å; K382-L385 PolarHBondContact O-N 2.98Å; K382-L386 WeakPolarHBondContact O-CG 3.29Å; K382-L386 PolarHBondContact O-N 3.41Å; K382-V416 HydrophobicContact CB-CG2 4.45Å; K382-V416 HydrophobicContact CD-CG1 4.02Å; K382-V416 WeakPolarHBondContact CE-O 3.33Å; K382-V416 HydrophobicContact CG-CG1 4.18Å; K382-V416 HydrophobicContact CG-CG2 4.32Å; K382-V416 PolarHBondContact NZ-O 3.06Å; K382-I419 HydrophobicContact CD-CG2 4.31Å; K382-I419 HydrophobicContact CG-CB 4.12Å; K382-I419 HydrophobicContact CG-CD1 4.17Å; K382-I419 HydrophobicContact CG-CG2 3.82Å; K382-G420 VanDerWaalsContact NZ-CA 3.28Å
383	S	92.9	Very high	92.8	Very high	65 Å²	65	61.9 Å²	61.9	46%	0.455	31%	0.311	S	S	.	.	H	α-helix	trans	-61.7	-44.8	177.3	-65.3	0	0	0	0	111.8	T379 Q380 L381 L385 L386 M387	T379-S383 WeakPolarHBondContact O-CB 3.47Å; T379-S383 PolarHBondContact O-N 3.12Å; T379-S383 PolarHBondContact O-OG 3.49Å; T379-S383 VanDerWaalsContact O-OG 3.12Å; Q380-S383 PolarHBondContact O-N 3.41Å; L381-S383 PolarHBondContact O-N 2.94Å; S383-L385 PolarHBondContact O-N 3.03Å; S383-L386 PolarHBondContact O-N 3.45Å; S383-M387 WeakPolarHBondContact O-CB 3.34Å; S383-M387 PolarHBondContact O-N 3.15Å
384	S	91.4	Very high	92.6	Very high	41 Å²	41	63 Å²	63	29%	0.287	32%	0.319	S	S	.	.	H	α-helix	trans	-63.3	-42	178.1	-170.8	0	0	0	0	112	Q380 L381 N388	Q380-S384 WeakPolarHBondContact O-CB 3.46Å; Q380-S384 PolarHBondContact O-N 3.18Å; L381-S384 PolarHBondContact O-N 3.36Å; S384-N388 VanDerWaalsContact O-CB 3.24Å; S384-N388 WeakPolarHBondContact O-CB 3.34Å; S384-N388 PolarHBondContact O-N 3.4Å; S384-N388 PolarHBondContact O-ND2 3.49Å
385	L	93.7	Very high	92.3	Very high	37 Å²	37	64.3 Å²	64.3	19%	0.194	32%	0.324	C	S	.	.	H	α-helix	trans	-60	-52.9	177.3	173.9	64.7	0	0	0	110.9	L381 K382 S383 N388 L389 V416 I419	L381-L385 WeakPolarHBondContact O-CB 3.37Å; L381-L385 PolarHBondContact O-N 3.13Å; K382-L385 PolarHBondContact O-N 2.98Å; S383-L385 PolarHBondContact O-N 3.03Å; L385-N388 PolarHBondContact O-N 2.87Å; L385-L389 HydrophobicContact CD1-CD1 3.6Å; L385-L389 HydrophobicContact CD1-CG 4.27Å; L385-L389 HydrophobicContact CG-CD1 4.05Å; L385-L389 WeakPolarHBondContact O-CB 3.39Å; L385-L389 VanDerWaalsContact O-CG 3.28Å; L385-L389 WeakPolarHBondContact O-CG 3.44Å; L385-L389 PolarHBondContact O-N 2.82Å; L385-L389 VanDerWaalsContact O-N 3.09Å; L385-V416 HydrophobicContact CD2-CG2 4.33Å; L385-I419 HydrophobicContact CD2-CD1 4.18Å
386	L	93.5	Very high	91.9	Very high	60 Å²	60	61.6 Å²	61.6	31%	0.314	31%	0.311	S	S	.	.	H	α-helix	trans	-65	-44.9	-177.4	-67	174.2	0	0	0	111.7	K382 S383 N388 L389 E390 P412 V416	K382-L386 WeakPolarHBondContact O-CG 3.29Å; K382-L386 PolarHBondContact O-N 3.41Å; S383-L386 PolarHBondContact O-N 3.45Å; L386-N388 PolarHBondContact O-N 2.9Å; L386-L389 PolarHBondContact O-N 3.04Å; L386-E390 PolarHBondContact O-N 2.62Å; L386-P412 HydrophobicContact CD2-CB 4.14Å; L386-V416 HydrophobicContact CD1-CG2 4.2Å; L386-V416 HydrophobicContact CD2-CG2 4.12Å; L386-V416 HydrophobicContact CG-CG2 4.14Å
387	M	91.6	Very high	91.8	Very high	112 Å²	112	59.4 Å²	59.4	55%	0.552	31%	0.305	S	S	*	.	H	α-helix	trans	-60.9	-44.2	178.1	-176.6	-174.8	71.2	0	0	112	S383 L389 E390	S383-M387 WeakPolarHBondContact O-CB 3.34Å; S383-M387 PolarHBondContact O-N 3.15Å; M387-L389 VanDerWaalsContact C-N 3.31Å; M387-L389 PolarHBondContact O-N 3.31Å; M387-E390 WeakPolarHBondContact O-CB 3.49Å; M387-E390 PolarHBondContact O-N 3.44Å
388	N	91.7	Very high	91.6	Very high	61 Å²	61	60 Å²	60	33%	0.326	31%	0.307	S	S	.	.	H	α-helix	trans	-64.2	-38.1	178	-76.2	-17.2	0	0	0	111.4	S384 L385 L386 E390 Q391 V394	S384-N388 VanDerWaalsContact O-CB 3.24Å; S384-N388 WeakPolarHBondContact O-CB 3.34Å; S384-N388 PolarHBondContact O-N 3.4Å; S384-N388 PolarHBondContact O-ND2 3.49Å; L385-N388 PolarHBondContact O-N 2.87Å; L386-N388 PolarHBondContact O-N 2.9Å; N388-E390 PolarHBondContact O-N 2.93Å; N388-Q391 WeakPolarHBondContact O-CB 3.48Å; N388-Q391 PolarHBondContact O-N 3.32Å; N388-V394 HydrophobicContact CB-CG1 4.15Å; N388-V394 WeakPolarHBondContact O-CB 3.07Å
389	L	91.3	Very high	91.2	Very high	5 Å²	5	59.9 Å²	59.9	3%	0.026	31%	0.308	C	S	.	.	H	α-helix	trans	-77.3	-3.5	-179.6	-67.8	175.3	0	0	0	114.8	L385 L386 M387 Q391 D398 P412	L385-L389 HydrophobicContact CD1-CD1 3.6Å; L385-L389 HydrophobicContact CD1-CG 4.27Å; L385-L389 HydrophobicContact CG-CD1 4.05Å; L385-L389 WeakPolarHBondContact O-CB 3.39Å; L385-L389 VanDerWaalsContact O-CG 3.28Å; L385-L389 WeakPolarHBondContact O-CG 3.44Å; L385-L389 PolarHBondContact O-N 2.82Å; L385-L389 VanDerWaalsContact O-N 3.09Å; L386-L389 PolarHBondContact O-N 3.04Å; M387-L389 VanDerWaalsContact C-N 3.31Å; M387-L389 PolarHBondContact O-N 3.31Å; L389-Q391 VanDerWaalsContact C-N 3.29Å; L389-D398 HydrophobicContact CD2-CB 3.9Å; L389-D398 WeakPolarHBondContact CD2-OD2 3.5Å; L389-P412 HydrophobicContact CD1-CB 3.69Å; L389-P412 HydrophobicContact CD1-CG 3.5Å
390	E	88.2	Confident	90.9	Very high	149 Å²	149	56.1 Å²	56.1	70%	0.696	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-17.8	164.5	-68.8	177.8	164.8	0	0	112	L386 M387 N388	L386-E390 PolarHBondContact O-N 2.62Å; M387-E390 WeakPolarHBondContact O-CB 3.49Å; M387-E390 PolarHBondContact O-N 3.44Å; N388-E390 PolarHBondContact O-N 2.93Å
391	Q	89	Confident	90.6	Very high	105 Å²	105	57.8 Å²	57.8	49%	0.491	29%	0.288	S	S	.	.	S	Bend	trans	-84.3	118.7	176	-53.3	-179.8	-74.1	0	0	110	N388 L389 V394 R395	N388-Q391 WeakPolarHBondContact O-CB 3.48Å; N388-Q391 PolarHBondContact O-N 3.32Å; L389-Q391 VanDerWaalsContact C-N 3.29Å; Q391-V394 HydrophobicContact CB-CB 4.13Å; Q391-V394 HydrophobicContact CB-CG2 3.86Å; Q391-V394 PolarHBondContact O-N 2.98Å; Q391-V394 VanDerWaalsContact O-N 3.16Å; Q391-R395 PolarHBondContact O-N 2.89Å
392	R	85.6	Confident	90.3	Very high	104 Å²	104	56.9 Å²	56.9	39%	0.392	28%	0.282	S	S	.	.	H	α-helix	trans	-57.2	-44	-175.6	-62.6	176.6	170.4	67.4	4.1	114.2	F57 F60 T62 V394 R395 F396	F57-R392 PolarHBondContact O-NH2 2.85Å; F60-R392 PolarHBondContact O-NE 2.83Å; T62-R392 VanDerWaalsContact OG1-CB 3.22Å; T62-R392 WeakPolarHBondContact OG1-CB 3.13Å; R392-V394 VanDerWaalsContact C-N 3.34Å; R392-V394 PolarHBondContact O-N 2.83Å; R392-R395 PolarHBondContact O-N 2.97Å; R392-F396 PolarHBondContact O-N 2.77Å
393	P	88.2	Confident	89.8	Confident	76 Å²	76	54.5 Å²	54.5	49%	0.494	27%	0.272	S	S	.	.	H	α-helix	trans	-62.1	-41.1	177.1	-24	35.7	0	0	0	112.6	F396 E397	P393-F396 PolarHBondContact O-N 2.87Å; P393-E397 PolarHBondContact O-N 2.96Å
394	V	90.8	Very high	89.2	Confident	49 Å²	49	52.9 Å²	52.9	30%	0.297	26%	0.258	S	S	.	.	H	α-helix	trans	-66.7	-40.1	178.3	-178.3	0	0	0	0	110.9	N388 Q391 R392 E397 D398	N388-V394 HydrophobicContact CB-CG1 4.15Å; N388-V394 WeakPolarHBondContact O-CB 3.07Å; Q391-V394 HydrophobicContact CB-CB 4.13Å; Q391-V394 HydrophobicContact CB-CG2 3.86Å; Q391-V394 PolarHBondContact O-N 2.98Å; Q391-V394 VanDerWaalsContact O-N 3.16Å; R392-V394 VanDerWaalsContact C-N 3.34Å; R392-V394 PolarHBondContact O-N 2.83Å; V394-E397 PolarHBondContact O-N 3.05Å; V394-D398 WeakPolarHBondContact O-CB 3.26Å; V394-D398 PolarHBondContact O-N 2.95Å
395	R	88.6	Confident	88.5	Confident	37 Å²	37	52 Å²	52	14%	0.14	26%	0.256	C	S	.	.	H	α-helix	trans	-63	-41.1	174.1	-177.2	173.6	172.2	-176.8	-11.9	111.9	E54 P55 Q391 R392 L399	E54-R395 VanDerWaalsContact CD-NH2 3.34Å; E54-R395 VanDerWaalsContact CG-NH2 3.34Å; E54-R395 IonicContact OE1-CZ 3.61Å; E54-R395 IonicContact OE1-NE 3.11Å; E54-R395 PolarHBondContact OE1-NE 2.83Å; E54-R395 IonicContact OE1-NH2 2.62Å; E54-R395 PolarHBondContact OE1-NH2 2.77Å; P55-R395 PolarHBondContact O-NH2 2.83Å; Q391-R395 PolarHBondContact O-N 2.89Å; R392-R395 PolarHBondContact O-N 2.97Å; R395-L399 WeakPolarHBondContact O-CB 3.26Å; R395-L399 PolarHBondContact O-N 3.34Å
396	F	89.9	Confident	87.9	Confident	23 Å²	23	52.3 Å²	52.3	10%	0.101	26%	0.256	C	S	.	.	H	α-helix	trans	-62.7	-47.8	175.7	174.6	-91.1	0	0	0	111.7	T62 G64 V66 I123 A125 R392 P393 T400	T62-F396 HydrophobicContact CG2-CB 3.69Å; T62-F396 HydrophobicContact CG2-CD2 4.18Å; T62-F396 HydrophobicContact CG2-CG 3.88Å; G64-F396 VanDerWaalsContact CA-CZ 3.42Å; V66-F396 HydrophobicContact CG2-CE1 3.8Å; V66-F396 HydrophobicContact CG2-CZ 4.05Å; I123-F396 HydrophobicContact CG2-CE1 3.99Å; A125-F396 HydrophobicContact CB-CD1 4.2Å; A125-F396 HydrophobicContact CB-CE1 3.97Å; R392-F396 PolarHBondContact O-N 2.77Å; P393-F396 PolarHBondContact O-N 2.87Å; F396-T400 HydrophobicContact CD2-CG2 4.45Å; F396-T400 HydrophobicContact CE1-CG2 4.14Å; F396-T400 HydrophobicContact CE2-CG2 4.04Å; F396-T400 HydrophobicContact CZ-CG2 3.86Å; F396-T400 WeakPolarHBondContact O-CB 2.99Å; F396-T400 VanDerWaalsContact O-CG2 3.32Å; F396-T400 WeakPolarHBondContact O-CG2 3.21Å; F396-T400 PolarHBondContact O-N 3.22Å; F396-T400 PolarHBondContact O-OG1 3.32Å
397	E	91	Very high	87.1	Confident	60 Å²	60	50.4 Å²	50.4	28%	0.28	25%	0.251	S	S	.	.	H	α-helix	trans	-63.9	-45.6	177.1	-175.7	-176.3	156.9	0	0	111.7	I123 P393 V394 L399 T400 R401	I123-E397 HydrophobicContact CD1-CG 3.92Å; P393-E397 PolarHBondContact O-N 2.96Å; V394-E397 PolarHBondContact O-N 3.05Å; E397-L399 VanDerWaalsContact C-N 3.34Å; E397-L399 PolarHBondContact O-N 2.95Å; E397-T400 WeakPolarHBondContact CA-OG1 3.38Å; E397-T400 PolarHBondContact O-N 2.83Å; E397-T400 PolarHBondContact O-OG1 2.96Å; E397-T400 VanDerWaalsContact O-OG1 3.07Å; E397-R401 WeakPolarHBondContact O-CB 3.39Å; E397-R401 PolarHBondContact O-N 3.05Å; E397-R401 IonicContact OE1-NH1 2.66Å
398	D	91.1	Very high	86.8	Confident	18 Å²	18	49.9 Å²	49.9	10%	0.096	25%	0.248	C	C	.	.	H	α-helix	trans	-65.4	-39.2	-179.7	-172.6	49.5	0	0	0	111.9	L389 V394 R401 Q402 R409	L389-D398 HydrophobicContact CD2-CB 3.9Å; L389-D398 WeakPolarHBondContact CD2-OD2 3.5Å; V394-D398 WeakPolarHBondContact O-CB 3.26Å; V394-D398 PolarHBondContact O-N 2.95Å; D398-R401 IonicContact OD1-NH2 3.66Å; D398-R401 PolarHBondContact OD1-NH2 3.16Å; D398-Q402 WeakPolarHBondContact O-CB 3.32Å; D398-Q402 WeakPolarHBondContact O-CG 3.22Å; D398-Q402 PolarHBondContact O-N 2.89Å; D398-Q402 VanDerWaalsContact O-N 3.1Å; D398-Q402 PolarHBondContact OD1-NE2 3.18Å; D398-Q402 PolarHBondContact OD2-NE2 3.15Å; D398-R409 PolarHBondContact O-NH1 2.78Å; D398-R409 VanDerWaalsContact O-NH1 3.08Å; D398-R409 IonicContact OD1-NH1 3.38Å; D398-R409 IonicContact OD2-CZ 3.3Å; D398-R409 IonicContact OD2-NH1 3.85Å; D398-R409 PolarHBondContact OD2-NH1 3.21Å; D398-R409 IonicContact OD2-NH2 2.9Å; D398-R409 PolarHBondContact OD2-NH2 3.33Å
399	L	88.4	Confident	86.6	Confident	12 Å²	12	48.1 Å²	48.1	6%	0.063	24%	0.237	C	C	.	.	H	α-helix	trans	-56.5	-62.9	171.1	174.1	61.8	0	0	0	109.6	T40 E54 R395 E397 R401 Q402 I403 R409	T40-L399 HydrophobicContact CG2-CD1 3.63Å; E54-L399 HydrophobicContact CB-CD2 4.42Å; R395-L399 WeakPolarHBondContact O-CB 3.26Å; R395-L399 PolarHBondContact O-N 3.34Å; E397-L399 VanDerWaalsContact C-N 3.34Å; E397-L399 PolarHBondContact O-N 2.95Å; L399-R401 VanDerWaalsContact C-N 3.31Å; L399-R401 PolarHBondContact O-N 3.23Å; L399-Q402 PolarHBondContact O-N 3.11Å; L399-I403 HydrophobicContact CD1-CD1 3.55Å; L399-I403 HydrophobicContact CD1-CG1 4.28Å; L399-I403 HydrophobicContact CG-CD1 3.63Å; L399-I403 WeakPolarHBondContact O-CB 3.3Å; L399-I403 VanDerWaalsContact O-CD1 3.25Å; L399-I403 WeakPolarHBondContact O-CD1 3.47Å; L399-I403 WeakPolarHBondContact O-CG1 3.45Å; L399-I403 PolarHBondContact O-N 2.97Å; L399-R409 HydrophobicContact CD1-CB 4.11Å; L399-R409 HydrophobicContact CD1-CG 3.99Å
400	T	88.5	Confident	86.5	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.012	25%	0.251	C	S	.	.	H	α-helix	trans	-62.4	-33.1	-174.6	52.8	0	0	0	0	113.7	V66 I225 F396 E397 I403 L404	V66-T400 HydrophobicContact CG2-CG2 3.8Å; V66-T400 WeakPolarHBondContact CG2-OG1 3.43Å; I225-T400 HydrophobicContact CG2-CG2 3.89Å; F396-T400 HydrophobicContact CD2-CG2 4.45Å; F396-T400 HydrophobicContact CE1-CG2 4.14Å; F396-T400 HydrophobicContact CE2-CG2 4.04Å; F396-T400 HydrophobicContact CZ-CG2 3.86Å; F396-T400 WeakPolarHBondContact O-CB 2.99Å; F396-T400 VanDerWaalsContact O-CG2 3.32Å; F396-T400 WeakPolarHBondContact O-CG2 3.21Å; F396-T400 PolarHBondContact O-N 3.22Å; F396-T400 PolarHBondContact O-OG1 3.32Å; E397-T400 WeakPolarHBondContact CA-OG1 3.38Å; E397-T400 PolarHBondContact O-N 2.83Å; E397-T400 PolarHBondContact O-OG1 2.96Å; E397-T400 VanDerWaalsContact O-OG1 3.07Å; T400-I403 WeakPolarHBondContact O-CB 3.43Å; T400-L404 WeakPolarHBondContact O-CB 3.49Å; T400-L404 WeakPolarHBondContact O-CG 3.37Å; T400-L404 PolarHBondContact O-N 2.95Å
401	R	86.8	Confident	86.6	Confident	112 Å²	112	45.5 Å²	45.5	42%	0.423	23%	0.227	S	C	.	.	H	α-helix	trans	-72.5	-41.4	176.4	-174.1	178.2	59	-166.2	-6.5	112.9	E397 D398 L399 I403 L404 G405	E397-R401 WeakPolarHBondContact O-CB 3.39Å; E397-R401 PolarHBondContact O-N 3.05Å; E397-R401 IonicContact OE1-NH1 2.66Å; D398-R401 IonicContact OD1-NH2 3.66Å; D398-R401 PolarHBondContact OD1-NH2 3.16Å; L399-R401 VanDerWaalsContact C-N 3.31Å; L399-R401 PolarHBondContact O-N 3.23Å; R401-I403 VanDerWaalsContact C-N 3.27Å; R401-I403 PolarHBondContact O-N 2.86Å; R401-L404 PolarHBondContact O-N 2.96Å; R401-G405 PolarHBondContact O-N 3.47Å
402	Q	88.3	Confident	86.7	Confident	13 Å²	13	40.5 Å²	40.5	6%	0.061	20%	0.204	C	C	.	.	H	α-helix	trans	-62.2	-42	174.2	-75.8	-173.4	30.7	0	0	110.7	D398 L399 G405 Q406 G407 K410	D398-Q402 WeakPolarHBondContact O-CB 3.32Å; D398-Q402 WeakPolarHBondContact O-CG 3.22Å; D398-Q402 PolarHBondContact O-N 2.89Å; D398-Q402 VanDerWaalsContact O-N 3.1Å; D398-Q402 PolarHBondContact OD1-NE2 3.18Å; D398-Q402 PolarHBondContact OD2-NE2 3.15Å; L399-Q402 PolarHBondContact O-N 3.11Å; Q402-G405 PolarHBondContact O-N 3.41Å; Q402-Q406 WeakPolarHBondContact O-CG 3.35Å; Q402-Q406 PolarHBondContact O-N 3.18Å; Q402-G407 PolarHBondContact O-N 3.3Å; Q402-K410 PolarHBondContact OE1-O 2.88Å
403	I	84.9	Confident	87	Confident	4 Å²	4	40.4 Å²	40.4	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-57.6	-54.1	174.5	-67.3	168.3	0	0	0	111.6	A52 I225 E228 L399 T400 R401 G405 G407	A52-I403 HydrophobicContact CB-CD1 4.06Å; I225-I403 HydrophobicContact CD1-CB 4.42Å; I225-I403 HydrophobicContact CD1-CG2 3.48Å; I225-I403 VanDerWaalsContact CD1-CG2 3.48Å; I225-I403 HydrophobicContact CG1-CG2 3.94Å; I225-I403 HydrophobicContact CG2-CG2 4.1Å; E228-I403 HydrophobicContact CB-CB 4.11Å; E228-I403 HydrophobicContact CB-CD1 3.65Å; E228-I403 HydrophobicContact CB-CG1 3.63Å; E228-I403 HydrophobicContact CB-CG2 3.43Å; E228-I403 VanDerWaalsContact CB-CG2 3.43Å; E228-I403 VanDerWaalsContact CD-CG1 3.45Å; E228-I403 HydrophobicContact CG-CB 4.22Å; E228-I403 HydrophobicContact CG-CD1 4.46Å; E228-I403 HydrophobicContact CG-CG1 3.9Å; E228-I403 HydrophobicContact CG-CG2 3.63Å; E228-I403 WeakPolarHBondContact OE1-CA 3.41Å; E228-I403 VanDerWaalsContact OE1-CG1 3.3Å; E228-I403 WeakPolarHBondContact OE1-CG1 3.09Å; L399-I403 HydrophobicContact CD1-CD1 3.55Å; L399-I403 HydrophobicContact CD1-CG1 4.28Å; L399-I403 HydrophobicContact CG-CD1 3.63Å; L399-I403 WeakPolarHBondContact O-CB 3.3Å; L399-I403 VanDerWaalsContact O-CD1 3.25Å; L399-I403 WeakPolarHBondContact O-CD1 3.47Å; L399-I403 WeakPolarHBondContact O-CG1 3.45Å; L399-I403 PolarHBondContact O-N 2.97Å; T400-I403 WeakPolarHBondContact O-CB 3.43Å; R401-I403 VanDerWaalsContact C-N 3.27Å; R401-I403 PolarHBondContact O-N 2.86Å; I403-G405 PolarHBondContact O-N 3.33Å; I403-G405 VanDerWaalsContact O-N 3.15Å; I403-G407 VanDerWaalsContact O-CA 3.31Å; I403-G407 WeakPolarHBondContact O-CA 3.17Å; I403-G407 PolarHBondContact O-N 2.86Å
404	L	80.3	Confident	87.3	Confident	31 Å²	31	41.3 Å²	41.3	16%	0.162	21%	0.208	C	C	.	.	H	α-helix	trans	-53.7	-36.7	178.6	-88.2	170.3	0	0	0	112	V66 N68 S121 I225 M231 T400 R401	V66-L404 HydrophobicContact CG1-CD1 3.65Å; N68-L404 HydrophobicContact CB-CD2 3.6Å; S121-L404 WeakPolarHBondContact OG-CD1 3.41Å; I225-L404 HydrophobicContact CD1-CB 4.13Å; I225-L404 HydrophobicContact CD1-CD2 3.34Å; I225-L404 HydrophobicContact CD1-CG 3.36Å; M231-L404 HydrophobicContact CE-CD2 3.63Å; T400-L404 WeakPolarHBondContact O-CB 3.49Å; T400-L404 WeakPolarHBondContact O-CG 3.37Å; T400-L404 PolarHBondContact O-N 2.95Å; R401-L404 PolarHBondContact O-N 2.96Å
405	G	77.2	Confident	87.5	Confident	23 Å²	23	40.3 Å²	40.3	24%	0.237	20%	0.199	C	C	.	.	H	α-helix	trans	-93.3	-44.5	-165.8	0	0	0	0	0	116.4	F276 R401 Q402 I403	F276-G405 VanDerWaalsContact CE2-CA 3.43Å; F276-G405 WeakPolarHBondContact CE2-O 3.42Å; F276-G405 VanDerWaalsContact CZ-C 3.46Å; R401-G405 PolarHBondContact O-N 3.47Å; Q402-G405 PolarHBondContact O-N 3.41Å; I403-G405 PolarHBondContact O-N 3.33Å; I403-G405 VanDerWaalsContact O-N 3.15Å
406	Q	80.5	Confident	87.9	Confident	42 Å²	42	39.6 Å²	39.6	20%	0.196	20%	0.199	C	C	.	.	H	α-helix	trans	-123.7	-6.5	-175	59.6	178.7	9.7	0	0	113	F276 T277 Q402 M408	F276-Q406 HydrophobicContact CE2-CB 4.21Å; T277-Q406 HydrophobicContact CG2-CB 3.63Å; Q402-Q406 WeakPolarHBondContact O-CG 3.35Å; Q402-Q406 PolarHBondContact O-N 3.18Å; Q406-M408 HydrophobicContact CG-CG 4.23Å; Q406-M408 WeakPolarHBondContact CG-O 3.41Å; Q406-M408 PolarHBondContact NE2-O 2.98Å; Q406-M408 PolarHBondContact O-N 3.49Å
407	G	77.7	Confident	88.3	Confident	20 Å²	20	43.5 Å²	43.5	21%	0.206	22%	0.221	C	C	.	.	S	Bend	trans	68.2	14.9	179.6	0	0	0	0	0	114.5	Q402 I403	Q402-G407 PolarHBondContact O-N 3.3Å; I403-G407 VanDerWaalsContact O-CA 3.31Å; I403-G407 WeakPolarHBondContact O-CA 3.17Å; I403-G407 PolarHBondContact O-N 2.86Å
408	M	84.6	Confident	88.6	Confident	101 Å²	101	42.6 Å²	42.6	50%	0.498	22%	0.223	S	C	.	.	S	Bend	trans	-146.2	146.4	168.1	62.4	-175.1	-60.7	0	0	111.3	E228 Q406	E228-M408 WeakPolarHBondContact OE1-CA 3.43Å; E228-M408 PolarHBondContact OE1-N 3.18Å; Q406-M408 HydrophobicContact CG-CG 4.23Å; Q406-M408 WeakPolarHBondContact CG-O 3.41Å; Q406-M408 PolarHBondContact NE2-O 2.98Å; Q406-M408 PolarHBondContact O-N 3.49Å
409	R	87.4	Confident	88.9	Confident	24 Å²	24	42 Å²	42	9%	0.091	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-80.8	119.8	165.2	179.2	62.4	173.2	167	12.7	110.9	T40 D398 L399	T40-R409 HydrophobicContact CG2-CB 4.32Å; T40-R409 WeakPolarHBondContact OG1-CB 3.19Å; T40-R409 VanDerWaalsContact OG1-CG 3.27Å; T40-R409 WeakPolarHBondContact OG1-CG 3.26Å; D398-R409 PolarHBondContact O-NH1 2.78Å; D398-R409 VanDerWaalsContact O-NH1 3.08Å; D398-R409 IonicContact OD1-NH1 3.38Å; D398-R409 IonicContact OD2-CZ 3.3Å; D398-R409 IonicContact OD2-NH1 3.85Å; D398-R409 PolarHBondContact OD2-NH1 3.21Å; D398-R409 IonicContact OD2-NH2 2.9Å; D398-R409 PolarHBondContact OD2-NH2 3.33Å; L399-R409 HydrophobicContact CD1-CB 4.11Å; L399-R409 HydrophobicContact CD1-CG 3.99Å
410	K	90	Very high	89.4	Confident	71 Å²	71	42.4 Å²	42.4	31%	0.309	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-85.7	137.7	164.1	-74.8	-178.7	-176.7	177.5	0	109.5	Q402 Y415	Q402-K410 PolarHBondContact OE1-O 2.88Å; K410-Y415 HydrophobicContact CB-CD2 4.11Å; K410-Y415 HydrophobicContact CB-CE2 3.42Å; K410-Y415 VanDerWaalsContact CB-CE2 3.42Å; K410-Y415 HydrophobicContact CD-CE1 4.31Å; K410-Y415 HydrophobicContact CD-CE2 4.25Å; K410-Y415 HydrophobicContact CG-CE2 4.46Å
411	S	90.4	Very high	89.8	Confident	28 Å²	28	48.8 Å²	48.8	20%	0.196	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-68.8	152.6	177.6	72.2	0	0	0	0	110.8	L413 E414 Y415	S411-L413 PolarHBondContact O-N 2.93Å; S411-E414 VanDerWaalsContact CB-OE2 3.26Å; S411-E414 WeakPolarHBondContact CB-OE2 3.07Å; S411-E414 PolarHBondContact N-OE2 3.33Å; S411-E414 PolarHBondContact O-N 2.87Å; S411-E414 VanDerWaalsContact OG-CG 3.28Å; S411-E414 WeakPolarHBondContact OG-CG 3.44Å; S411-E414 PolarHBondContact OG-N 3.46Å; S411-E414 PolarHBondContact OG-OE2 2.92Å; S411-Y415 WeakPolarHBondContact O-CD2 3.33Å; S411-Y415 PolarHBondContact O-N 3.44Å
412	P	91.5	Very high	90.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.6	-30	175.9	-26	39.3	0	0	0	112.4	Y38 L386 L389 Y415 V416	Y38-P412 HydrophobicContact CD1-CG 3.63Å; Y38-P412 HydrophobicContact CD2-CG 4.06Å; Y38-P412 HydrophobicContact CE1-CG 3.61Å; Y38-P412 HydrophobicContact CE2-CG 4.03Å; Y38-P412 HydrophobicContact CG-CG 3.86Å; L386-P412 HydrophobicContact CD2-CB 4.14Å; L389-P412 HydrophobicContact CD1-CB 3.69Å; L389-P412 HydrophobicContact CD1-CG 3.5Å; P412-Y415 PolarHBondContact O-N 3.05Å; P412-V416 VanDerWaalsContact O-CG2 3.3Å; P412-V416 WeakPolarHBondContact O-CG2 3.33Å; P412-V416 PolarHBondContact O-N 3.28Å
413	L	92	Very high	90.8	Very high	102 Å²	102	51 Å²	51	53%	0.534	27%	0.265	S	S	.	.	H	α-helix	trans	-68.6	-39.3	177.9	-63.2	-179.2	0	0	0	111.7	S411 Y415 V416 D417	S411-L413 PolarHBondContact O-N 2.93Å; L413-Y415 VanDerWaalsContact C-N 3.29Å; L413-Y415 PolarHBondContact O-N 3.3Å; L413-V416 WeakPolarHBondContact O-CB 3.42Å; L413-V416 PolarHBondContact O-N 3.4Å; L413-V416 VanDerWaalsContact O-N 3.1Å; L413-D417 PolarHBondContact O-N 3.34Å
414	E	93.5	Very high	91.4	Very high	95 Å²	95	52.5 Å²	52.5	44%	0.444	28%	0.278	S	S	.	.	H	α-helix	trans	-59.9	-40	172.4	-74.5	165.5	87.9	0	0	111.9	S411 D417 A418	S411-E414 VanDerWaalsContact CB-OE2 3.26Å; S411-E414 WeakPolarHBondContact CB-OE2 3.07Å; S411-E414 PolarHBondContact N-OE2 3.33Å; S411-E414 PolarHBondContact O-N 2.87Å; S411-E414 VanDerWaalsContact OG-CG 3.28Å; S411-E414 WeakPolarHBondContact OG-CG 3.44Å; S411-E414 PolarHBondContact OG-N 3.46Å; S411-E414 PolarHBondContact OG-OE2 2.92Å; E414-D417 PolarHBondContact O-N 3.02Å; E414-A418 WeakPolarHBondContact O-CB 3.46Å; E414-A418 PolarHBondContact O-N 3.34Å
415	Y	95.1	Very high	92.1	Very high	28 Å²	28	54.3 Å²	54.3	11%	0.11	29%	0.294	C	S	.	.	H	α-helix	trans	-67.8	-38.7	173.1	-76.3	-69.2	0	0	0	112.3	V282 K410 S411 P412 L413 D417 A418 I419	V282-Y415 HydrophobicContact CG2-CD1 4.25Å; K410-Y415 HydrophobicContact CB-CD2 4.11Å; K410-Y415 HydrophobicContact CB-CE2 3.42Å; K410-Y415 VanDerWaalsContact CB-CE2 3.42Å; K410-Y415 HydrophobicContact CD-CE1 4.31Å; K410-Y415 HydrophobicContact CD-CE2 4.25Å; K410-Y415 HydrophobicContact CG-CE2 4.46Å; S411-Y415 WeakPolarHBondContact O-CD2 3.33Å; S411-Y415 PolarHBondContact O-N 3.44Å; P412-Y415 PolarHBondContact O-N 3.05Å; L413-Y415 VanDerWaalsContact C-N 3.29Å; L413-Y415 PolarHBondContact O-N 3.3Å; Y415-D417 VanDerWaalsContact C-N 3.29Å; Y415-D417 PolarHBondContact O-N 3.03Å; Y415-A418 PolarHBondContact O-N 2.9Å; Y415-I419 WeakPolarHBondContact O-CB 3.25Å; Y415-I419 VanDerWaalsContact O-CD1 3.31Å; Y415-I419 WeakPolarHBondContact O-CD1 3.39Å; Y415-I419 WeakPolarHBondContact O-CG1 3.38Å; Y415-I419 PolarHBondContact O-N 3.39Å
416	V	97	Very high	93.1	Very high	22 Å²	22	54.6 Å²	54.6	13%	0.133	29%	0.29	C	S	.	.	H	α-helix	trans	-60.6	-40.6	175	165.3	0	0	0	0	111.3	K382 L385 L386 P412 L413 G420	K382-V416 HydrophobicContact CB-CG2 4.45Å; K382-V416 HydrophobicContact CD-CG1 4.02Å; K382-V416 WeakPolarHBondContact CE-O 3.33Å; K382-V416 HydrophobicContact CG-CG1 4.18Å; K382-V416 HydrophobicContact CG-CG2 4.32Å; K382-V416 PolarHBondContact NZ-O 3.06Å; L385-V416 HydrophobicContact CD2-CG2 4.33Å; L386-V416 HydrophobicContact CD1-CG2 4.2Å; L386-V416 HydrophobicContact CD2-CG2 4.12Å; L386-V416 HydrophobicContact CG-CG2 4.14Å; P412-V416 VanDerWaalsContact O-CG2 3.3Å; P412-V416 WeakPolarHBondContact O-CG2 3.33Å; P412-V416 PolarHBondContact O-N 3.28Å; L413-V416 WeakPolarHBondContact O-CB 3.42Å; L413-V416 PolarHBondContact O-N 3.4Å; L413-V416 VanDerWaalsContact O-N 3.1Å; V416-G420 PolarHBondContact O-N 2.83Å
417	D	97.6	Very high	93.9	Very high	106 Å²	106	52.6 Å²	52.6	57%	0.567	28%	0.281	S	S	*	.	H	α-helix	trans	-68.5	-48.6	176.3	-67.9	-20.2	0	0	0	110.4	L413 E414 Y415 I419 G420 E421	L413-D417 PolarHBondContact O-N 3.34Å; E414-D417 PolarHBondContact O-N 3.02Å; Y415-D417 VanDerWaalsContact C-N 3.29Å; Y415-D417 PolarHBondContact O-N 3.03Å; D417-I419 VanDerWaalsContact C-N 3.31Å; D417-I419 PolarHBondContact O-N 3.18Å; D417-G420 CarbonylContact O-C 2.92Å; D417-G420 VanDerWaalsContact O-CA 3.26Å; D417-G420 WeakPolarHBondContact O-CA 3.3Å; D417-G420 PolarHBondContact O-N 2.91Å; D417-E421 PolarHBondContact O-N 3.44Å
418	A	97.7	Very high	94.8	Very high	40 Å²	40	54 Å²	54	33%	0.331	28%	0.283	S	S	.	.	H	α-helix	trans	-57.3	-41.3	176.1	0	0	0	0	0	112.6	V282 E414 Y415 G420 E421	V282-A418 HydrophobicContact CG1-CB 4.29Å; V282-A418 HydrophobicContact CG2-CB 4.22Å; E414-A418 WeakPolarHBondContact O-CB 3.46Å; E414-A418 PolarHBondContact O-N 3.34Å; Y415-A418 PolarHBondContact O-N 2.9Å; A418-G420 VanDerWaalsContact C-N 3.27Å; A418-G420 PolarHBondContact O-N 3.45Å; A418-E421 PolarHBondContact O-N 3.3Å
419	I	98.5	Very high	95.4	Very high	7 Å²	7	54 Å²	54	4%	0.036	28%	0.278	C	S	.	.	H	α-helix	trans	-63.3	-37.8	173.5	-67	159.2	0	0	0	110.1	V282 V286 K378 L381 K382 L385 Y415 D417 E421 V422	V282-I419 HydrophobicContact CG1-CB 4.32Å; V282-I419 HydrophobicContact CG1-CG1 3.66Å; V286-I419 HydrophobicContact CG2-CG2 4.02Å; K378-I419 HydrophobicContact CB-CG2 3.97Å; K378-I419 WeakPolarHBondContact CE-O 3.22Å; K378-I419 HydrophobicContact CG-CG2 4.08Å; L381-I419 HydrophobicContact CD2-CD1 3.8Å; L381-I419 HydrophobicContact CD2-CG1 3.84Å; L381-I419 HydrophobicContact CD2-CG2 4.13Å; L381-I419 HydrophobicContact CG-CD1 3.81Å; L381-I419 HydrophobicContact CG-CG1 4.39Å; K382-I419 HydrophobicContact CD-CG2 4.31Å; K382-I419 HydrophobicContact CG-CB 4.12Å; K382-I419 HydrophobicContact CG-CD1 4.17Å; K382-I419 HydrophobicContact CG-CG2 3.82Å; L385-I419 HydrophobicContact CD2-CD1 4.18Å; Y415-I419 WeakPolarHBondContact O-CB 3.25Å; Y415-I419 VanDerWaalsContact O-CD1 3.31Å; Y415-I419 WeakPolarHBondContact O-CD1 3.39Å; Y415-I419 WeakPolarHBondContact O-CG1 3.38Å; Y415-I419 PolarHBondContact O-N 3.39Å; D417-I419 VanDerWaalsContact C-N 3.31Å; D417-I419 PolarHBondContact O-N 3.18Å; I419-E421 VanDerWaalsContact C-N 3.3Å; I419-E421 PolarHBondContact O-N 2.87Å; I419-V422 PolarHBondContact O-N 3.29Å
420	G	98	Very high	95.9	Very high	20 Å²	20	52.9 Å²	52.9	21%	0.206	27%	0.274	C	S	.	.	H	α-helix	trans	-62.1	-33.5	176.6	0	0	0	0	0	114	K378 K382 V416 D417 A418	K378-G420 VanDerWaalsContact CE-O 3.28Å; K378-G420 WeakPolarHBondContact CE-O 3.36Å; K378-G420 PolarHBondContact NZ-O 2.96Å; K382-G420 VanDerWaalsContact NZ-CA 3.28Å; V416-G420 PolarHBondContact O-N 2.83Å; D417-G420 CarbonylContact O-C 2.92Å; D417-G420 VanDerWaalsContact O-CA 3.26Å; D417-G420 WeakPolarHBondContact O-CA 3.3Å; D417-G420 PolarHBondContact O-N 2.91Å; A418-G420 VanDerWaalsContact C-N 3.27Å; A418-G420 PolarHBondContact O-N 3.45Å
421	E	98.1	Very high	96.3	Very high	135 Å²	135	49.5 Å²	49.5	63%	0.631	26%	0.259	S	S	*	.	H	α-helix	trans	-81	-12.5	-178.7	-66.7	-54	121.5	0	0	114.1	D417 A418 I419 R423	D417-E421 PolarHBondContact O-N 3.44Å; A418-E421 PolarHBondContact O-N 3.3Å; I419-E421 VanDerWaalsContact C-N 3.3Å; I419-E421 PolarHBondContact O-N 2.87Å; E421-R423 WeakPolarHBondContact O-CG 3.4Å; E421-R423 PolarHBondContact O-N 2.98Å
422	V	98.4	Very high	96.6	Very high	8 Å²	8	50.7 Å²	50.7	5%	0.048	26%	0.263	C	S	.	.			trans	-62	126.9	178.6	178.5	0	0	0	0	111.1	V282 P283 V286 K378 I419 D426 I427	V282-V422 HydrophobicContact CG1-CG2 3.92Å; P283-V422 HydrophobicContact CG-CG2 4.34Å; V286-V422 HydrophobicContact CB-CG1 4.22Å; V286-V422 HydrophobicContact CG1-CG1 4.17Å; V286-V422 HydrophobicContact CG2-CB 4.22Å; V286-V422 HydrophobicContact CG2-CG1 4.2Å; V286-V422 HydrophobicContact CG2-CG2 3.95Å; K378-V422 PolarHBondContact NZ-O 3.47Å; K378-V422 VanDerWaalsContact NZ-O 3.08Å; I419-V422 PolarHBondContact O-N 3.29Å; V422-D426 HydrophobicContact CG1-CB 4.26Å; V422-I427 HydrophobicContact CG1-CD1 3.85Å; V422-I427 HydrophobicContact CG1-CG1 4.22Å
423	R	97.1	Very high	96.8	Very high	163 Å²	163	54.7 Å²	54.7	62%	0.615	28%	0.278	S	S	*	.			trans	-108.1	163.1	179.1	-53.4	-179.9	179.4	176.4	-0.4	111	E421 S425 D426 I427	E421-R423 WeakPolarHBondContact O-CG 3.4Å; E421-R423 PolarHBondContact O-N 2.98Å; R423-S425 PolarHBondContact O-N 3.47Å; R423-D426 WeakPolarHBondContact CB-OD2 3.31Å; R423-D426 PolarHBondContact N-OD2 3.22Å; R423-D426 WeakPolarHBondContact O-CB 3.12Å; R423-D426 PolarHBondContact O-N 3.28Å; R423-I427 PolarHBondContact O-N 3.03Å
424	A	96.7	Very high	97.1	Very high	36 Å²	36	49.9 Å²	49.9	30%	0.298	25%	0.253	S	S	.	.	H	α-helix	trans	-56.4	-38.7	175.7	0	0	0	0	0	112.2	L374 D426 I427 D428	L374-A424 HydrophobicContact CD2-CB 4.24Å; A424-D426 VanDerWaalsContact C-N 3.27Å; A424-D426 PolarHBondContact O-N 3.36Å; A424-I427 WeakPolarHBondContact O-CB 3.48Å; A424-I427 PolarHBondContact O-N 3.5Å; A424-D428 PolarHBondContact O-N 3.41Å
425	S	96.2	Very high	97.2	Very high	70 Å²	70	45.4 Å²	45.4	49%	0.49	23%	0.232	S	C	.	.	H	α-helix	trans	-62.6	-29.9	176.3	55.5	0	0	0	0	113.9	R423 I427 R429	R423-S425 PolarHBondContact O-N 3.47Å; S425-I427 VanDerWaalsContact C-N 3.34Å; S425-R429 WeakPolarHBondContact O-CB 3.45Å; S425-R429 PolarHBondContact O-N 3.04Å
426	D	97.5	Very high	97.2	Very high	28 Å²	28	49.9 Å²	49.9	15%	0.15	26%	0.258	C	S	.	.	H	α-helix	trans	-70.9	-36.6	175.2	-57.9	-52.9	0	0	0	110.4	P283 V422 R423 A424 R429 V430	P283-D426 HydrophobicContact CB-CB 4.33Å; P283-D426 HydrophobicContact CG-CB 4.16Å; V422-D426 HydrophobicContact CG1-CB 4.26Å; R423-D426 WeakPolarHBondContact CB-OD2 3.31Å; R423-D426 PolarHBondContact N-OD2 3.22Å; R423-D426 WeakPolarHBondContact O-CB 3.12Å; R423-D426 PolarHBondContact O-N 3.28Å; A424-D426 VanDerWaalsContact C-N 3.27Å; A424-D426 PolarHBondContact O-N 3.36Å; D426-R429 WeakPolarHBondContact O-CB 3.46Å; D426-R429 PolarHBondContact O-N 2.83Å; D426-R429 IonicContact OD1-CZ 3.37Å; D426-R429 IonicContact OD1-NH1 2.73Å; D426-R429 PolarHBondContact OD1-NH1 2.81Å; D426-R429 IonicContact OD1-NH2 3.18Å; D426-R429 PolarHBondContact OD1-NH2 2.87Å; D426-V430 WeakPolarHBondContact O-CG2 3.41Å; D426-V430 PolarHBondContact O-N 2.89Å
427	I	97.7	Very high	97.1	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-67.9	-45.3	175.2	-51.6	-66.7	0	0	0	110.8	V286 L287 M365 I369 L374 V422 R423 A424 S425 R429 V430 V431	V286-I427 HydrophobicContact CB-CD1 3.94Å; V286-I427 HydrophobicContact CG1-CD1 3.74Å; L287-I427 HydrophobicContact CB-CD1 4.43Å; L287-I427 HydrophobicContact CB-CG2 4.47Å; L287-I427 HydrophobicContact CD1-CG2 3.98Å; M365-I427 HydrophobicContact CE-CG2 4.38Å; I369-I427 HydrophobicContact CD1-CB 3.46Å; I369-I427 VanDerWaalsContact CD1-CB 3.46Å; I369-I427 HydrophobicContact CD1-CG1 4.06Å; I369-I427 HydrophobicContact CD1-CG2 3.12Å; L374-I427 HydrophobicContact CD1-CD1 4.47Å; L374-I427 HydrophobicContact CD1-CG1 4.04Å; V422-I427 HydrophobicContact CG1-CD1 3.85Å; V422-I427 HydrophobicContact CG1-CG1 4.22Å; R423-I427 PolarHBondContact O-N 3.03Å; A424-I427 WeakPolarHBondContact O-CB 3.48Å; A424-I427 PolarHBondContact O-N 3.5Å; S425-I427 VanDerWaalsContact C-N 3.34Å; I427-R429 VanDerWaalsContact C-N 3.25Å; I427-R429 PolarHBondContact O-N 3.41Å; I427-V430 WeakPolarHBondContact O-CG2 3.44Å; I427-V430 PolarHBondContact O-N 2.79Å; I427-V431 HydrophobicContact CG2-CG2 3.99Å; I427-V431 WeakPolarHBondContact O-CB 3.2Å; I427-V431 WeakPolarHBondContact O-CG2 3.48Å; I427-V431 PolarHBondContact O-N 3.41Å
428	D	96.3	Very high	97	Very high	49 Å²	49	50.7 Å²	50.7	26%	0.262	25%	0.253	S	S	.	.	H	α-helix	trans	-56.7	-41.7	174.4	-66.9	-30.5	0	0	0	111.1	A424 N432	A424-D428 PolarHBondContact O-N 3.41Å; D428-N432 WeakPolarHBondContact O-CB 3.49Å; D428-N432 PolarHBondContact O-N 3.21Å; D428-N432 PolarHBondContact O-ND2 2.88Å
429	R	97	Very high	97	Very high	103 Å²	103	48.8 Å²	48.8	39%	0.389	24%	0.237	S	C	.	.	H	α-helix	trans	-59.4	-53.8	175.7	179.1	179.3	67.3	-115.9	-0.3	111.6	D280 S425 D426 I427 V431 N432 R433	D280-R429 IonicContact OD1-CZ 3.2Å; D280-R429 IonicContact OD1-NE 2.82Å; D280-R429 PolarHBondContact OD1-NE 2.94Å; D280-R429 IonicContact OD1-NH2 2.75Å; D280-R429 PolarHBondContact OD1-NH2 3.41Å; D280-R429 IonicContact OD2-NE 3.82Å; S425-R429 WeakPolarHBondContact O-CB 3.45Å; S425-R429 PolarHBondContact O-N 3.04Å; D426-R429 WeakPolarHBondContact O-CB 3.46Å; D426-R429 PolarHBondContact O-N 2.83Å; D426-R429 IonicContact OD1-CZ 3.37Å; D426-R429 IonicContact OD1-NH1 2.73Å; D426-R429 PolarHBondContact OD1-NH1 2.81Å; D426-R429 IonicContact OD1-NH2 3.18Å; D426-R429 PolarHBondContact OD1-NH2 2.87Å; I427-R429 VanDerWaalsContact C-N 3.25Å; I427-R429 PolarHBondContact O-N 3.41Å; R429-V431 PolarHBondContact O-N 3.15Å; R429-N432 PolarHBondContact O-N 3.25Å; R429-R433 PolarHBondContact O-N 3.25Å
430	V	97.8	Very high	97	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-69.5	-33.1	-176.8	-63.4	0	0	0	0	112.9	D280 P283 F284 L287 D426 I427 R433 L434	D280-V430 HydrophobicContact CB-CG1 3.61Å; P283-V430 HydrophobicContact CB-CG1 3.71Å; P283-V430 HydrophobicContact CB-CG2 4.22Å; F284-V430 HydrophobicContact CD1-CB 3.96Å; F284-V430 HydrophobicContact CD1-CG2 4.27Å; F284-V430 HydrophobicContact CD2-CB 4.49Å; F284-V430 HydrophobicContact CD2-CG1 4.23Å; F284-V430 HydrophobicContact CE1-CB 3.6Å; F284-V430 HydrophobicContact CE1-CG1 4.3Å; F284-V430 HydrophobicContact CE1-CG2 4.29Å; F284-V430 HydrophobicContact CE2-CB 4.22Å; F284-V430 HydrophobicContact CE2-CG1 4.05Å; F284-V430 HydrophobicContact CG-CB 4.39Å; F284-V430 HydrophobicContact CG-CG1 4.47Å; F284-V430 HydrophobicContact CZ-CB 3.76Å; F284-V430 HydrophobicContact CZ-CG1 4.09Å; L287-V430 HydrophobicContact CB-CG2 4.43Å; L287-V430 HydrophobicContact CD2-CG2 4.13Å; D426-V430 WeakPolarHBondContact O-CG2 3.41Å; D426-V430 PolarHBondContact O-N 2.89Å; I427-V430 WeakPolarHBondContact O-CG2 3.44Å; I427-V430 PolarHBondContact O-N 2.79Å; V430-R433 WeakPolarHBondContact O-CB 3.42Å; V430-R433 PolarHBondContact O-N 3.4Å; V430-L434 WeakPolarHBondContact O-CG 3.29Å; V430-L434 PolarHBondContact O-N 2.91Å
431	V	97.5	Very high	97	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62	-46.6	172.2	168.9	0	0	0	0	110.1	L287 M365 N366 I427 R429 R433 L434 L435	L287-V431 HydrophobicContact CD1-CG2 3.8Å; L287-V431 HydrophobicContact CD2-CG2 3.99Å; M365-V431 HydrophobicContact CB-CB 4.37Å; M365-V431 HydrophobicContact CB-CG1 3.68Å; M365-V431 HydrophobicContact CB-CG2 3.71Å; N366-V431 HydrophobicContact CB-CG1 4.18Å; I427-V431 HydrophobicContact CG2-CG2 3.99Å; I427-V431 WeakPolarHBondContact O-CB 3.2Å; I427-V431 WeakPolarHBondContact O-CG2 3.48Å; I427-V431 PolarHBondContact O-N 3.41Å; R429-V431 PolarHBondContact O-N 3.15Å; V431-R433 VanDerWaalsContact C-N 3.29Å; V431-R433 PolarHBondContact O-N 3.36Å; V431-L434 PolarHBondContact O-N 3.32Å; V431-L435 HydrophobicContact CG1-CD1 3.69Å; V431-L435 HydrophobicContact CG1-CG 4.22Å; V431-L435 WeakPolarHBondContact O-CB 3.32Å; V431-L435 VanDerWaalsContact O-CG 3.23Å; V431-L435 WeakPolarHBondContact O-CG 3.42Å; V431-L435 PolarHBondContact O-N 3.26Å
432	N	96.7	Very high	97	Very high	52 Å²	52	41 Å²	41	28%	0.278	20%	0.196	S	C	.	.	H	α-helix	trans	-63.2	-36	175.5	-80.3	-68.2	0	0	0	112.2	N366 D428 R429 L435 N436	N366-N432 PolarHBondContact ND2-OD1 3.11Å; N366-N432 PolarHBondContact OD1-ND2 3.14Å; N366-N432 PolarHBondContact OD1-OD1 3.23Å; D428-N432 WeakPolarHBondContact O-CB 3.49Å; D428-N432 PolarHBondContact O-N 3.21Å; D428-N432 PolarHBondContact O-ND2 2.88Å; R429-N432 PolarHBondContact O-N 3.25Å; N432-L435 PolarHBondContact O-N 3.35Å; N432-N436 VanDerWaalsContact O-CB 3.32Å; N432-N436 WeakPolarHBondContact O-CB 3.35Å; N432-N436 PolarHBondContact O-N 3Å; N432-N436 VanDerWaalsContact O-N 3.08Å; N432-N436 PolarHBondContact O-ND2 3.43Å; N432-N436 VanDerWaalsContact O-ND2 3.1Å
433	R	96.9	Very high	97	Very high	85 Å²	85	40.7 Å²	40.7	32%	0.321	19%	0.193	S	C	.	.	H	α-helix	trans	-59.7	-48.8	172.9	-171.1	173.8	167.2	176.1	-2.3	111.1	D278 D280 R429 V430 V431 N436 T437	D278-R433 IonicContact OD1-CZ 4Å; D278-R433 IonicContact OD1-NH1 3.03Å; D278-R433 PolarHBondContact OD1-NH1 3.12Å; D278-R433 IonicContact OD2-CZ 3.44Å; D278-R433 IonicContact OD2-NH1 3.17Å; D278-R433 PolarHBondContact OD2-NH1 3.26Å; D278-R433 VanDerWaalsContact OD2-NH1 3.17Å; D278-R433 IonicContact OD2-NH2 2.78Å; D278-R433 PolarHBondContact OD2-NH2 3.31Å; D280-R433 IonicContact OD2-CZ 3.91Å; D280-R433 IonicContact OD2-NH1 2.85Å; D280-R433 PolarHBondContact OD2-NH1 2.82Å; R429-R433 PolarHBondContact O-N 3.25Å; V430-R433 WeakPolarHBondContact O-CB 3.42Å; V430-R433 PolarHBondContact O-N 3.4Å; V431-R433 VanDerWaalsContact C-N 3.29Å; V431-R433 PolarHBondContact O-N 3.36Å; R433-N436 PolarHBondContact O-N 2.64Å; R433-T437 VanDerWaalsContact O-CG2 3.31Å; R433-T437 WeakPolarHBondContact O-CG2 3.42Å
434	L	97.2	Very high	97	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-58.6	-52.3	175.2	-63.3	-173.9	0	0	0	111.6	F271 E272 F284 L287 F340 M362 V430 V431 N436 T437	F271-L434 HydrophobicContact CB-CB 3.91Å; F271-L434 HydrophobicContact CB-CD2 3.81Å; F271-L434 HydrophobicContact CB-CG 4.28Å; F271-L434 HydrophobicContact CD1-CB 4.33Å; F271-L434 VanDerWaalsContact CD1-O 3.29Å; F271-L434 WeakPolarHBondContact CD1-O 3.19Å; F271-L434 HydrophobicContact CG-CB 4.07Å; E272-L434 WeakPolarHBondContact O-CD2 3.06Å; F284-L434 HydrophobicContact CD1-CD2 4.23Å; F284-L434 HydrophobicContact CE1-CD1 4.1Å; F284-L434 HydrophobicContact CE1-CD2 3.3Å; F284-L434 HydrophobicContact CE1-CG 3.61Å; F284-L434 HydrophobicContact CZ-CD2 3.81Å; F284-L434 HydrophobicContact CZ-CG 4.35Å; L287-L434 HydrophobicContact CD2-CD1 3.74Å; F340-L434 HydrophobicContact CB-CD1 3.97Å; F340-L434 HydrophobicContact CB-CD2 3.88Å; F340-L434 HydrophobicContact CD1-CD1 3.75Å; F340-L434 HydrophobicContact CD2-CD1 4.3Å; F340-L434 HydrophobicContact CE1-CD1 4.33Å; F340-L434 HydrophobicContact CG-CD1 3.74Å; M362-L434 HydrophobicContact CE-CD1 4.16Å; V430-L434 WeakPolarHBondContact O-CG 3.29Å; V430-L434 PolarHBondContact O-N 2.91Å; V431-L434 PolarHBondContact O-N 3.32Å; L434-N436 PolarHBondContact O-N 3.38Å; L434-N436 VanDerWaalsContact O-N 3.12Å; L434-T437 WeakPolarHBondContact O-CB 3.07Å; L434-T437 PolarHBondContact O-N 2.85Å; L434-T437 PolarHBondContact O-OG1 3.11Å
435	L	95.9	Very high	96.9	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.01	15%	0.151	C	C	.	.	H	α-helix	trans	-69	-12.7	-172.9	-64	174	0	0	0	113.4	M362 L363 N366 V431 N432 I460 R463	M362-L435 HydrophobicContact CG-CD2 3.71Å; M362-L435 HydrophobicContact SD-CD2 4.48Å; L363-L435 HydrophobicContact CD2-CD1 4.32Å; L363-L435 HydrophobicContact CD2-CD2 3.97Å; N366-L435 HydrophobicContact CB-CD1 4.28Å; V431-L435 HydrophobicContact CG1-CD1 3.69Å; V431-L435 HydrophobicContact CG1-CG 4.22Å; V431-L435 WeakPolarHBondContact O-CB 3.32Å; V431-L435 VanDerWaalsContact O-CG 3.23Å; V431-L435 WeakPolarHBondContact O-CG 3.42Å; V431-L435 PolarHBondContact O-N 3.26Å; N432-L435 PolarHBondContact O-N 3.35Å; L435-I460 HydrophobicContact CD2-CG2 3.81Å; L435-R463 PolarHBondContact O-NH1 3.44Å; L435-R463 PolarHBondContact O-NH2 3.49Å
436	N	95.5	Very high	96.8	Very high	121 Å²	121	29.4 Å²	29.4	65%	0.647	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-1.3	173.6	-71.4	-19.3	0	0	0	113.2	N432 R433 L434 R463	N432-N436 VanDerWaalsContact O-CB 3.32Å; N432-N436 WeakPolarHBondContact O-CB 3.35Å; N432-N436 PolarHBondContact O-N 3Å; N432-N436 VanDerWaalsContact O-N 3.08Å; N432-N436 PolarHBondContact O-ND2 3.43Å; N432-N436 VanDerWaalsContact O-ND2 3.1Å; R433-N436 PolarHBondContact O-N 2.64Å; L434-N436 PolarHBondContact O-N 3.38Å; L434-N436 VanDerWaalsContact O-N 3.12Å; N436-R463 PolarHBondContact OD1-NH2 3.36Å
437	T	94.4	Very high	96.8	Very high	24 Å²	24	28.4 Å²	28.4	15%	0.147	13%	0.131	C	C	.	.	S	Bend	trans	-92.7	151.5	175.2	68.5	0	0	0	0	110	E272 R433 L434	E272-T437 HydrophobicContact CB-CG2 3.64Å; E272-T437 PolarHBondContact N-OG1 3.04Å; R433-T437 VanDerWaalsContact O-CG2 3.31Å; R433-T437 WeakPolarHBondContact O-CG2 3.42Å; L434-T437 WeakPolarHBondContact O-CB 3.07Å; L434-T437 PolarHBondContact O-N 2.85Å; L434-T437 PolarHBondContact O-OG1 3.11Å
438	R	95.2	Very high	96.6	Very high	121 Å²	121	37.7 Å²	37.7	46%	0.457	17%	0.172	S	C	.	.	P	Polyproline II helix	trans	-64.8	137.7	172.6	-173	178.6	-176.8	-175.9	3.5	108.9	Y240 T241	Y240-R438 VanDerWaalsContact CE1-O 3.23Å; Y240-R438 WeakPolarHBondContact CE1-O 3.23Å; Y240-R438 PolarHBondContact OH-O 3.2Å; T241-R438 WeakPolarHBondContact O-CD 3.3Å
439	V	97.7	Very high	96.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-74	149.9	-177.9	-54.5	0	0	0	0	112.5	G242 G243 I269 F271 I441 D457 I460	G242-V439 WeakPolarHBondContact CA-O 3.32Å; G243-V439 PolarHBondContact N-O 2.91Å; G243-V439 VanDerWaalsContact N-O 3.09Å; I269-V439 HydrophobicContact CD1-CG1 4.3Å; I269-V439 HydrophobicContact CG1-CB 4.44Å; F271-V439 HydrophobicContact CD1-CG1 4.28Å; F271-V439 HydrophobicContact CE1-CG1 3.65Å; F271-V439 HydrophobicContact CZ-CG1 4.26Å; V439-I441 HydrophobicContact CB-CD1 4.37Å; V439-I441 HydrophobicContact CG2-CD1 4.04Å; V439-I441 HydrophobicContact CG2-CG1 3.95Å; V439-D457 HydrophobicContact CG2-CB 3.7Å; V439-D457 PolarHBondContact N-OD1 3.16Å; V439-I460 HydrophobicContact CG1-CB 4.23Å; V439-I460 HydrophobicContact CG1-CG1 4.22Å; V439-I460 HydrophobicContact CG1-CG2 4.35Å
440	S	98.2	Very high	96.4	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	132.6	161.6	-69.9	0	0	0	0	109.9	I182 A186 Y240 G242 G243 I269 G270	I182-S440 WeakPolarHBondContact CD1-O 3.2Å; A186-S440 WeakPolarHBondContact CA-OG 3.47Å; A186-S440 VanDerWaalsContact CB-OG 3.29Å; A186-S440 WeakPolarHBondContact CB-OG 3.42Å; A186-S440 PolarHBondContact N-OG 3.24Å; Y240-S440 PolarHBondContact OH-N 2.9Å; Y240-S440 PolarHBondContact OH-OG 3.11Å; G242-S440 WeakPolarHBondContact CA-OG 3.47Å; G243-S440 CarbonylContact O-C 3.56Å; G243-S440 VanDerWaalsContact O-CA 3.28Å; G243-S440 WeakPolarHBondContact O-CA 3.35Å; I269-S440 CarbonylContact C-O 3.51Å; I269-S440 WeakPolarHBondContact CA-O 3.49Å; G270-S440 PolarHBondContact N-O 3.06Å; G270-S440 PolarHBondContact O-N 3.46Å
441	I	98.3	Very high	96.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	136.3	-178.2	-57.4	-63.3	0	0	0	110.6	G243 E244 I245 F267 V268 I269 V439 C453 I456	G243-I441 PolarHBondContact O-N 3.42Å; E244-I441 CarbonylContact C-O 3.59Å; E244-I441 VanDerWaalsContact CA-O 3.29Å; E244-I441 WeakPolarHBondContact CA-O 3.44Å; E244-I441 HydrophobicContact CG-CB 4.34Å; I245-I441 PolarHBondContact N-O 3.49Å; F267-I441 HydrophobicContact CD2-CG2 4.28Å; F267-I441 HydrophobicContact CE2-CD1 3.89Å; F267-I441 HydrophobicContact CE2-CG2 3.79Å; F267-I441 HydrophobicContact CZ-CD1 4.05Å; V268-I441 CarbonylContact O-C 3.26Å; V268-I441 WeakPolarHBondContact O-CA 3.32Å; I269-I441 HydrophobicContact CB-CD1 3.92Å; I269-I441 HydrophobicContact CD1-CD1 4.01Å; I269-I441 HydrophobicContact CG1-CD1 3.67Å; V439-I441 HydrophobicContact CB-CD1 4.37Å; V439-I441 HydrophobicContact CG2-CD1 4.04Å; V439-I441 HydrophobicContact CG2-CG1 3.95Å; I441-C453 HydrophobicContact CG1-CB 4.29Å; I441-I456 HydrophobicContact CD1-CB 4.47Å; I441-I456 HydrophobicContact CD1-CD1 4.17Å; I441-I456 HydrophobicContact CD1-CG2 3.87Å; I441-I456 HydrophobicContact CG1-CD1 4.41Å
442	V	98.4	Very high	96.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	130	164.9	179.7	0	0	0	0	109.5	L178 L181 I182 A185 I245 F267 V268	L178-V442 HydrophobicContact CD2-CG1 4.28Å; L181-V442 VanDerWaalsContact C-CG2 3.5Å; L181-V442 HydrophobicContact CB-CB 4.46Å; L181-V442 HydrophobicContact CB-CG1 3.76Å; L181-V442 HydrophobicContact CB-CG2 3.8Å; L181-V442 HydrophobicContact CD1-CG1 3.8Å; L181-V442 HydrophobicContact CG-CG1 4.45Å; I182-V442 HydrophobicContact CB-CG2 3.92Å; I182-V442 HydrophobicContact CD1-CG2 3.87Å; A185-V442 HydrophobicContact CB-CG2 4.3Å; I245-V442 CarbonylContact O-C 3.4Å; I245-V442 VanDerWaalsContact O-CA 3.32Å; I245-V442 WeakPolarHBondContact O-CA 3.37Å; F267-V442 WeakPolarHBondContact CA-O 3.4Å; V268-V442 HydrophobicContact CB-CB 3.92Å; V268-V442 HydrophobicContact CB-CG2 4.4Å; V268-V442 HydrophobicContact CG2-CB 4.07Å; V268-V442 PolarHBondContact N-O 2.67Å; V268-V442 PolarHBondContact O-N 2.72Å
443	G	98.1	Very high	95.9	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	127.6	162.5	0	0	0	0	0	110.2	I245 R246 I247 H266 L447	I245-G443 PolarHBondContact O-N 2.59Å; R246-G443 WeakPolarHBondContact CA-O 3.39Å; I247-G443 PolarHBondContact N-O 3.29Å; H266-G443 WeakPolarHBondContact O-CA 3.26Å; G443-L447 WeakPolarHBondContact O-CD1 3.2Å
444	Y	97.3	Very high	95.8	Very high	4 Å²	4	40 Å²	40	2%	0.016	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	130.4	174.2	178.2	-97.8	0	0	0	110.7	T169 P174 L177 L178 L181 I247 K249 L251 H266	T169-Y444 PolarHBondContact O-OH 2.78Å; P174-Y444 HydrophobicContact CG-CD1 4Å; P174-Y444 HydrophobicContact CG-CE1 3.58Å; L177-Y444 HydrophobicContact CD2-CD2 4.05Å; L177-Y444 HydrophobicContact CD2-CE1 4.3Å; L177-Y444 HydrophobicContact CD2-CE2 3.52Å; L178-Y444 HydrophobicContact CD2-CG 4.44Å; L181-Y444 HydrophobicContact CD1-CD2 4.43Å; I247-Y444 HydrophobicContact CB-CD2 3.91Å; I247-Y444 HydrophobicContact CG2-CD2 3.89Å; I247-Y444 HydrophobicContact CG2-CE2 4.04Å; I247-Y444 WeakPolarHBondContact O-CA 3.39Å; K249-Y444 HydrophobicContact CB-CE2 4.47Å; K249-Y444 HydrophobicContact CD-CE2 3.94Å; K249-Y444 WeakPolarHBondContact CD-OH 3.36Å; K249-Y444 PolarHBondContact NZ-OH 3.22Å; K249-Y444 VanDerWaalsContact NZ-OH 3.07Å; L251-Y444 HydrophobicContact CD1-CD1 3.86Å; L251-Y444 HydrophobicContact CD1-CE1 3.66Å; L251-Y444 HydrophobicContact CD2-CE1 3.93Å; L251-Y444 HydrophobicContact CG-CE1 4.4Å; H266-Y444 AromaticContact CD2-CD1 3.69Å; H266-Y444 PolarHBondContact CD2-O 2.98Å; H266-Y444 PolarHBondContact N-O 3.15Å; H266-Y444 PolarHBondContact O-N 3.18Å
445	G	95.4	Very high	95.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	113	-148.4	-175.3	0	0	0	0	0	112.4	I247 E248 K249 L447	I247-G445 PolarHBondContact O-N 3.42Å; I247-G445 VanDerWaalsContact O-N 3.13Å; E248-G445 WeakPolarHBondContact CA-O 3.41Å; K249-G445 PolarHBondContact N-O 3.18Å; K249-G445 CarbonylContact O-C 3.56Å; K249-G445 VanDerWaalsContact O-CA 3.22Å; K249-G445 WeakPolarHBondContact O-CA 3.3Å; G445-L447 WeakPolarHBondContact O-CG 3.45Å; G445-L447 PolarHBondContact O-N 3.22Å
446	S	94.9	Very high	95.7	Very high	28 Å²	28	42 Å²	42	20%	0.196	21%	0.211	C	C	.	.			trans	-80.4	110.2	174.3	-66.9	0	0	0	0	111.2	E248 E263	E248-S446 VanDerWaalsContact OE1-CA 3.3Å; E248-S446 WeakPolarHBondContact OE1-CA 3.33Å; E263-S446 WeakPolarHBondContact OE1-CB 3.46Å; E263-S446 PolarHBondContact OE1-OG 3.11Å
447	L	96	Very high	95.7	Very high	7 Å²	7	38.1 Å²	38.1	4%	0.037	19%	0.191	C	C	.	.			trans	-107.4	8.1	-164.5	-50.3	178.9	0	0	0	115.1	R246 E248 L351 G443 G445 K449 L450	R246-L447 HydrophobicContact CB-CD1 3.74Å; R246-L447 HydrophobicContact CG-CD1 4.08Å; E248-L447 PolarHBondContact OE1-N 2.93Å; E248-L447 VanDerWaalsContact OE2-CB 3.25Å; E248-L447 WeakPolarHBondContact OE2-CB 3.46Å; E248-L447 WeakPolarHBondContact OE2-CG 2.96Å; E248-L447 PolarHBondContact OE2-N 2.91Å; E248-L447 VanDerWaalsContact OE2-N 3.13Å; L351-L447 HydrophobicContact CD2-CD2 3.95Å; G443-L447 WeakPolarHBondContact O-CD1 3.2Å; G445-L447 WeakPolarHBondContact O-CG 3.45Å; G445-L447 PolarHBondContact O-N 3.22Å; L447-K449 PolarHBondContact O-N 3.26Å; L447-L450 HydrophobicContact CB-CB 4.23Å; L447-L450 HydrophobicContact CB-CD2 4.49Å; L447-L450 HydrophobicContact CD2-CD2 4.26Å; L447-L450 WeakPolarHBondContact O-CB 3.39Å; L447-L450 PolarHBondContact O-N 3.28Å
448	K	94.1	Very high	95.7	Very high	195 Å²	195	43.6 Å²	43.6	85%	0.848	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-28.3	-177.5	-174.1	173.5	-177.8	174.3	0	114.8
449	K	94.3	Very high	95.7	Very high	127 Å²	127	37.9 Å²	37.9	55%	0.552	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-0.3	-179.2	-65.9	-64.9	-171	173.6	0	114.1	L351 G352 L447 P451	L351-K449 HydrophobicContact CB-CB 4.19Å; G352-K449 VanDerWaalsContact CA-O 3.29Å; G352-K449 WeakPolarHBondContact CA-O 3.33Å; G352-K449 PolarHBondContact N-O 2.94Å; L447-K449 PolarHBondContact O-N 3.26Å; K449-P451 WeakPolarHBondContact O-CD 3.49Å
450	L	95.5	Very high	95.6	Very high	11 Å²	11	37.9 Å²	37.9	6%	0.058	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-76	116.4	179.5	-175.9	65	0	0	0	110.5	R246 F267 L351 V355 L447	R246-L450 PolarHBondContact NH1-O 2.82Å; F267-L450 HydrophobicContact CD2-CD1 3.67Å; F267-L450 HydrophobicContact CE2-CD1 4.17Å; F267-L450 HydrophobicContact CG-CD1 4.45Å; L351-L450 HydrophobicContact CD2-CB 3.71Å; L351-L450 HydrophobicContact CD2-CD1 4.28Å; L351-L450 HydrophobicContact CD2-CG 4.46Å; L351-L450 HydrophobicContact CG-CB 4.19Å; L351-L450 HydrophobicContact CG-CD1 4.1Å; V355-L450 HydrophobicContact CG2-CD1 3.69Å; L447-L450 HydrophobicContact CB-CB 4.23Å; L447-L450 HydrophobicContact CB-CD2 4.49Å; L447-L450 HydrophobicContact CD2-CD2 4.26Å; L447-L450 WeakPolarHBondContact O-CB 3.39Å; L447-L450 PolarHBondContact O-N 3.28Å
451	P	94.7	Very high	95.5	Very high	31 Å²	31	40.6 Å²	40.6	20%	0.201	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-58.2	151.5	176.2	-22	34.2	0	0	0	112.1	R246 V355 K449 I456 L468	R246-P451 PolarHBondContact NH2-O 2.97Å; V355-P451 HydrophobicContact CB-CG 4.34Å; V355-P451 HydrophobicContact CG1-CG 4.27Å; V355-P451 HydrophobicContact CG2-CG 4.49Å; K449-P451 WeakPolarHBondContact O-CD 3.49Å; P451-I456 HydrophobicContact CB-CD1 4.36Å; P451-I456 HydrophobicContact CB-CG1 4.2Å; P451-L468 HydrophobicContact CB-CD2 4.43Å
452	S	93.3	Very high	95.3	Very high	57 Å²	57	47.6 Å²	47.6	40%	0.399	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-60.9	147.6	176.7	65.2	0	0	0	0	112.4	D454 T455 I456	S452-D454 VanDerWaalsContact C-N 3.29Å; S452-D454 PolarHBondContact O-N 3.11Å; S452-T455 WeakPolarHBondContact O-CB 3.46Å; S452-T455 PolarHBondContact O-N 3.43Å; S452-T455 PolarHBondContact OG-N 3.04Å; S452-T455 PolarHBondContact OG-OG1 3.35Å; S452-I456 PolarHBondContact O-N 3.49Å
453	C	93.2	Very high	95.1	Very high	7 Å²	7	51.2 Å²	51.2	5%	0.047	25%	0.253	C	S	.	.	H	α-helix	trans	-54.3	-44.1	176.5	-178.8	0	0	0	0	111.9	E244 I441 T455 I456 D457	E244-C453 HydrophobicContact CB-CB 3.94Å; E244-C453 VanDerWaalsContact CD-CB 3.4Å; E244-C453 HydrophobicContact CG-CB 4.15Å; E244-C453 WeakPolarHBondContact OE2-CB 3.36Å; I441-C453 HydrophobicContact CG1-CB 4.29Å; C453-T455 PolarHBondContact O-N 2.94Å; C453-T455 VanDerWaalsContact O-N 3.16Å; C453-I456 PolarHBondContact O-N 3.22Å; C453-D457 WeakPolarHBondContact O-CB 3.12Å; C453-D457 PolarHBondContact O-N 2.85Å
454	D	94.2	Very high	94.8	Very high	106 Å²	106	54.3 Å²	54.3	57%	0.567	27%	0.27	S	S	*	.	H	α-helix	trans	-57.6	-33.3	177.2	-70.3	-12.8	0	0	0	113.7	S452 R458	S452-D454 VanDerWaalsContact C-N 3.29Å; S452-D454 PolarHBondContact O-N 3.11Å; D454-R458 WeakPolarHBondContact O-CB 3.44Å; D454-R458 PolarHBondContact O-N 3.16Å; D454-R458 VanDerWaalsContact O-N 3.1Å
455	T	94.6	Very high	94.6	Very high	43 Å²	43	56.1 Å²	56.1	26%	0.264	28%	0.279	S	S	.	.	H	α-helix	trans	-73.3	-39.9	177	-57	0	0	0	0	111.2	S452 C453 A459 F467 L468	S452-T455 WeakPolarHBondContact O-CB 3.46Å; S452-T455 PolarHBondContact O-N 3.43Å; S452-T455 PolarHBondContact OG-N 3.04Å; S452-T455 PolarHBondContact OG-OG1 3.35Å; C453-T455 PolarHBondContact O-N 2.94Å; C453-T455 VanDerWaalsContact O-N 3.16Å; T455-A459 WeakPolarHBondContact O-CB 3.33Å; T455-A459 PolarHBondContact O-N 2.96Å; T455-F467 HydrophobicContact CG2-CB 4.3Å; T455-F467 WeakPolarHBondContact CG2-O 3.28Å; T455-L468 HydrophobicContact CG2-CD2 4.19Å
456	I	96.2	Very high	94.3	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-68.8	-49.4	178.4	-60.3	169.5	0	0	0	110.3	F267 I269 V355 I441 P451 S452 C453 R458 A459 I460 L468	F267-I456 HydrophobicContact CE2-CD1 4Å; F267-I456 HydrophobicContact CZ-CD1 4.29Å; I269-I456 HydrophobicContact CD1-CG2 3.89Å; V355-I456 HydrophobicContact CG1-CD1 3.75Å; V355-I456 HydrophobicContact CG1-CG1 3.79Å; V355-I456 HydrophobicContact CG2-CD1 4.5Å; I441-I456 HydrophobicContact CD1-CB 4.47Å; I441-I456 HydrophobicContact CD1-CD1 4.17Å; I441-I456 HydrophobicContact CD1-CG2 3.87Å; I441-I456 HydrophobicContact CG1-CD1 4.41Å; P451-I456 HydrophobicContact CB-CD1 4.36Å; P451-I456 HydrophobicContact CB-CG1 4.2Å; S452-I456 PolarHBondContact O-N 3.49Å; C453-I456 PolarHBondContact O-N 3.22Å; I456-R458 VanDerWaalsContact C-N 3.3Å; I456-R458 PolarHBondContact O-N 3.07Å; I456-A459 WeakPolarHBondContact O-CB 3.42Å; I456-A459 PolarHBondContact O-N 2.91Å; I456-A459 VanDerWaalsContact O-N 3.08Å; I456-I460 PolarHBondContact O-N 2.95Å; I456-L468 HydrophobicContact CB-CD2 4.47Å; I456-L468 HydrophobicContact CG1-CD2 3.85Å
457	D	95.7	Very high	94	Very high	40 Å²	40	61.2 Å²	61.2	21%	0.214	31%	0.307	C	S	.	.	H	α-helix	trans	-55.4	-46.6	176.3	-171.4	68.9	0	0	0	110.7	V439 C453 A459 I460 A461	V439-D457 HydrophobicContact CG2-CB 3.7Å; V439-D457 PolarHBondContact N-OD1 3.16Å; C453-D457 WeakPolarHBondContact O-CB 3.12Å; C453-D457 PolarHBondContact O-N 2.85Å; D457-A459 PolarHBondContact O-N 2.64Å; D457-I460 PolarHBondContact O-N 3.28Å; D457-A461 WeakPolarHBondContact O-CB 3.42Å; D457-A461 PolarHBondContact O-N 3.06Å
458	R	95.1	Very high	93.6	Very high	139 Å²	139	61.1 Å²	61.1	53%	0.525	31%	0.306	S	S	.	.	H	α-helix	trans	-62.9	-40.7	176.1	-171	179.3	-61.1	-178	2	112.6	D454 I456 I460 K462 F467	D454-R458 WeakPolarHBondContact O-CB 3.44Å; D454-R458 PolarHBondContact O-N 3.16Å; D454-R458 VanDerWaalsContact O-N 3.1Å; I456-R458 VanDerWaalsContact C-N 3.3Å; I456-R458 PolarHBondContact O-N 3.07Å; R458-I460 VanDerWaalsContact C-N 3.34Å; R458-K462 HydrophobicContact CG-CG 4.24Å; R458-K462 VanDerWaalsContact O-CB 3.26Å; R458-K462 WeakPolarHBondContact O-CB 3.3Å; R458-K462 WeakPolarHBondContact O-CG 3.27Å; R458-K462 PolarHBondContact O-N 3.26Å; R458-F467 HydrophobicContact CG-CD1 4.11Å; R458-F467 HydrophobicContact CG-CD2 4Å; R458-F467 HydrophobicContact CG-CE1 4.14Å; R458-F467 HydrophobicContact CG-CE2 4.04Å; R458-F467 HydrophobicContact CG-CG 4.05Å; R458-F467 HydrophobicContact CG-CZ 4.11Å
459	A	95.2	Very high	92.5	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-61.6	-44.3	177.4	0	0	0	0	0	111.6	T455 I456 D457 R463 N464 F467 L468	T455-A459 WeakPolarHBondContact O-CB 3.33Å; T455-A459 PolarHBondContact O-N 2.96Å; I456-A459 WeakPolarHBondContact O-CB 3.42Å; I456-A459 PolarHBondContact O-N 2.91Å; I456-A459 VanDerWaalsContact O-N 3.08Å; D457-A459 PolarHBondContact O-N 2.64Å; A459-R463 WeakPolarHBondContact O-CA 3.48Å; A459-R463 PolarHBondContact O-N 3.36Å; A459-R463 VanDerWaalsContact O-N 3.1Å; A459-N464 WeakPolarHBondContact CA-O 3.3Å; A459-N464 PolarHBondContact O-N 2.8Å; A459-F467 HydrophobicContact CB-CB 4.16Å; A459-L468 HydrophobicContact CB-CD1 4.19Å; A459-L468 HydrophobicContact CB-CD2 4.24Å; A459-L468 HydrophobicContact CB-CG 3.82Å
460	I	96	Very high	90.9	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-68.9	-54.1	176.7	-63.8	-60.7	0	0	0	111	I269 F271 C359 L363 L435 V439 I456 D457 R458 K462 R463	I269-I460 HydrophobicContact CD1-CG1 4.27Å; F271-I460 HydrophobicContact CE1-CG2 4.01Å; C359-I460 HydrophobicContact CB-CD1 3.97Å; L363-I460 HydrophobicContact CD2-CD1 4.2Å; L363-I460 HydrophobicContact CG-CD1 4.24Å; L435-I460 HydrophobicContact CD2-CG2 3.81Å; V439-I460 HydrophobicContact CG1-CB 4.23Å; V439-I460 HydrophobicContact CG1-CG1 4.22Å; V439-I460 HydrophobicContact CG1-CG2 4.35Å; I456-I460 PolarHBondContact O-N 2.95Å; D457-I460 PolarHBondContact O-N 3.28Å; R458-I460 VanDerWaalsContact C-N 3.34Å; I460-K462 PolarHBondContact O-N 3.47Å; I460-R463 WeakPolarHBondContact O-CD 3.2Å; I460-R463 PolarHBondContact O-N 3.41Å; I460-R463 PolarHBondContact O-NH1 3.41Å
461	A	94.2	Very high	88.7	Confident	56 Å²	56	61.2 Å²	61.2	46%	0.463	32%	0.32	S	S	.	.	H	α-helix	trans	-59.4	-33.1	-176.8	0	0	0	0	0	113	D457	D457-A461 WeakPolarHBondContact O-CB 3.42Å; D457-A461 PolarHBondContact O-N 3.06Å
462	K	94.8	Very high	86.7	Confident	148 Å²	148	63 Å²	63	64%	0.643	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	0.3	175.9	-61.6	-60.1	-176.6	-174.9	0	114	R458 I460 N464 F467	R458-K462 HydrophobicContact CG-CG 4.24Å; R458-K462 VanDerWaalsContact O-CB 3.26Å; R458-K462 WeakPolarHBondContact O-CB 3.3Å; R458-K462 WeakPolarHBondContact O-CG 3.27Å; R458-K462 PolarHBondContact O-N 3.26Å; I460-K462 PolarHBondContact O-N 3.47Å; K462-N464 HydrophobicContact CB-CB 4.32Å; K462-N464 PolarHBondContact O-N 2.8Å; K462-N464 VanDerWaalsContact O-N 3.13Å; K462-F467 HydrophobicContact CB-CE2 3.82Å; K462-F467 HydrophobicContact CG-CE2 4.04Å
463	R	93.9	Very high	84.9	Confident	76 Å²	76	63.3 Å²	63.3	29%	0.287	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	36.3	-175.3	-49.7	-66.8	-173.9	-86.7	-7.8	111.6	L363 L435 N436 A459 I460	L363-R463 HydrophobicContact CD2-CB 4.37Å; L363-R463 VanDerWaalsContact CD2-CD 3.42Å; L363-R463 HydrophobicContact CD2-CG 4.49Å; L435-R463 PolarHBondContact O-NH1 3.44Å; L435-R463 PolarHBondContact O-NH2 3.49Å; N436-R463 PolarHBondContact OD1-NH2 3.36Å; A459-R463 WeakPolarHBondContact O-CA 3.48Å; A459-R463 PolarHBondContact O-N 3.36Å; A459-R463 VanDerWaalsContact O-N 3.1Å; I460-R463 WeakPolarHBondContact O-CD 3.2Å; I460-R463 PolarHBondContact O-N 3.41Å; I460-R463 PolarHBondContact O-NH1 3.41Å
464	N	93.1	Very high	82.7	Confident	65 Å²	65	66.8 Å²	66.8	35%	0.348	34%	0.34	S	S	.	.			trans	-134.4	105.9	-173.7	-178.9	1.3	0	0	0	109.1	A459 K462 S466 F467	A459-N464 WeakPolarHBondContact CA-O 3.3Å; A459-N464 PolarHBondContact O-N 2.8Å; K462-N464 HydrophobicContact CB-CB 4.32Å; K462-N464 PolarHBondContact O-N 2.8Å; K462-N464 VanDerWaalsContact O-N 3.13Å; N464-S466 PolarHBondContact ND2-OG 3.3Å; N464-S466 PolarHBondContact O-N 2.93Å; N464-S466 WeakPolarHBondContact OD1-CB 3.3Å; N464-S466 PolarHBondContact OD1-N 3.31Å; N464-S466 PolarHBondContact OD1-OG 3.08Å; N464-F467 HydrophobicContact CB-CD2 4.19Å; N464-F467 HydrophobicContact CB-CE2 4.02Å; N464-F467 VanDerWaalsContact O-CD2 3.29Å; N464-F467 WeakPolarHBondContact O-CD2 3.35Å
465	L	91.6	Very high	80.1	Confident	41 Å²	41	71.7 Å²	71.7	22%	0.215	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-65.6	-19.5	-179.3	-65.5	174	0	0	0	112.1	C359 L363 F467 L468 F474	C359-L465 HydrophobicContact CB-CD2 3.63Å; L363-L465 HydrophobicContact CD1-CD2 3.67Å; L363-L465 HydrophobicContact CD1-CG 3.84Å; L465-F467 PolarHBondContact O-N 3.44Å; L465-L468 HydrophobicContact CD2-CD1 3.92Å; L465-L468 WeakPolarHBondContact O-CB 3.41Å; L465-L468 PolarHBondContact O-N 3.47Å; L465-F474 VanDerWaalsContact C-CZ 3.45Å; L465-F474 HydrophobicContact CB-CE1 3.6Å; L465-F474 HydrophobicContact CB-CZ 4.27Å; L465-F474 VanDerWaalsContact O-CE1 3.23Å; L465-F474 WeakPolarHBondContact O-CE1 3.46Å; L465-F474 WeakPolarHBondContact O-CZ 3.46Å
466	S	89.7	Confident	77.5	Confident	65 Å²	65	79.5 Å²	79.5	46%	0.455	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-57.9	-16.1	-173.2	81.7	0	0	0	0	114.5	N464 F474	N464-S466 PolarHBondContact ND2-OG 3.3Å; N464-S466 PolarHBondContact O-N 2.93Å; N464-S466 WeakPolarHBondContact OD1-CB 3.3Å; N464-S466 PolarHBondContact OD1-N 3.31Å; N464-S466 PolarHBondContact OD1-OG 3.08Å; S466-F474 VanDerWaalsContact CA-CZ 3.5Å
467	F	89.4	Confident	76.6	Confident	71 Å²	71	83.5 Å²	83.5	31%	0.311	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-69.4	-33.7	171.7	-67.3	-68.5	0	0	0	112.7	T455 R458 A459 K462 N464 L465 K469	T455-F467 HydrophobicContact CG2-CB 4.3Å; T455-F467 WeakPolarHBondContact CG2-O 3.28Å; R458-F467 HydrophobicContact CG-CD1 4.11Å; R458-F467 HydrophobicContact CG-CD2 4Å; R458-F467 HydrophobicContact CG-CE1 4.14Å; R458-F467 HydrophobicContact CG-CE2 4.04Å; R458-F467 HydrophobicContact CG-CG 4.05Å; R458-F467 HydrophobicContact CG-CZ 4.11Å; A459-F467 HydrophobicContact CB-CB 4.16Å; K462-F467 HydrophobicContact CB-CE2 3.82Å; K462-F467 HydrophobicContact CG-CE2 4.04Å; N464-F467 HydrophobicContact CB-CD2 4.19Å; N464-F467 HydrophobicContact CB-CE2 4.02Å; N464-F467 VanDerWaalsContact O-CD2 3.29Å; N464-F467 WeakPolarHBondContact O-CD2 3.35Å; L465-F467 PolarHBondContact O-N 3.44Å; F467-K469 PolarHBondContact O-N 2.84Å
468	L	87.8	Confident	75.6	Confident	4 Å²	4	85.8 Å²	85.8	2%	0.021	42%	0.423	C	S	.	.	S	Bend	trans	-74	103.9	172.5	-57.4	173.6	0	0	0	107.1	V355 C359 P451 T455 I456 A459 L465 S470 F474	V355-L468 HydrophobicContact CG1-CD1 4.31Å; V355-L468 HydrophobicContact CG1-CD2 4.06Å; C359-L468 HydrophobicContact CB-CD1 3.99Å; P451-L468 HydrophobicContact CB-CD2 4.43Å; T455-L468 HydrophobicContact CG2-CD2 4.19Å; I456-L468 HydrophobicContact CB-CD2 4.47Å; I456-L468 HydrophobicContact CG1-CD2 3.85Å; A459-L468 HydrophobicContact CB-CD1 4.19Å; A459-L468 HydrophobicContact CB-CD2 4.24Å; A459-L468 HydrophobicContact CB-CG 3.82Å; L465-L468 HydrophobicContact CD2-CD1 3.92Å; L465-L468 WeakPolarHBondContact O-CB 3.41Å; L465-L468 PolarHBondContact O-N 3.47Å; L468-S470 PolarHBondContact O-N 2.84Å; L468-F474 WeakPolarHBondContact O-CE2 3.21Å; L468-F474 WeakPolarHBondContact O-CZ 3.44Å
469	K	69.7	Low	74.5	Confident	202 Å²	202	82.8 Å²	82.8	88%	0.878	42%	0.417	S	S	*	.			trans	-69.8	53.5	179.8	-61.5	179.3	-179.4	178.2	0	113	F467 P471	F467-K469 PolarHBondContact O-N 2.84Å; K469-P471 WeakPolarHBondContact O-CD 3.34Å
470	S	61.5	Low	73.3	Confident	9 Å²	9	87.7 Å²	87.7	6%	0.063	44%	0.442	C	S	.	.			trans	-87.1	107.9	171.7	173.1	0	0	0	0	108.9	D353 L468 S472 F474	D353-S470 PolarHBondContact OD1-OG 3.39Å; L468-S470 PolarHBondContact O-N 2.84Å; S470-S472 PolarHBondContact O-N 3.33Å; S470-S472 VanDerWaalsContact O-N 3.13Å; S470-F474 WeakPolarHBondContact O-CD2 3.38Å; S470-F474 WeakPolarHBondContact O-CE2 3.04Å
471	P	48.2	Very low	71.9	Confident	125 Å²	125	93.1 Å²	93.1	81%	0.812	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-20.3	-172.5	-19.8	32.3	0	0	0	114.2	K469	K469-P471 WeakPolarHBondContact O-CD 3.34Å
472	S	54.4	Low	70.4	Confident	67 Å²	67	95.6 Å²	95.6	47%	0.469	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-10.6	-160.6	11.6	0	0	0	0	114.9	D353 S470	D353-S472 PolarHBondContact OD1-OG 2.85Å; S470-S472 PolarHBondContact O-N 3.33Å; S470-S472 VanDerWaalsContact O-N 3.13Å
473	Y	54.1	Low	68.7	Low	65 Å²	65	91.9 Å²	91.9	26%	0.255	46%	0.457	S	S	.	.			trans	-134.9	8.3	-164.7	-64.8	-70.2	0	0	0	116.7	K320 Y321 W323 D353 F475	K320-Y473 HydrophobicContact CD-CE1 4.3Å; K320-Y473 HydrophobicContact CG-CE1 4.06Å; K320-Y473 PolarHBondContact O-OH 2.92Å; Y321-Y473 HydrophobicContact CE1-CD1 4.38Å; Y321-Y473 AromaticContact CE1-CE1 3.72Å; Y321-Y473 HydrophobicContact CE1-CE1 3.72Å; Y321-Y473 AromaticContact CE1-CZ 3.88Å; W323-Y473 HydrophobicContact CZ2-CE2 4.4Å; D353-Y473 HydrophobicContact CB-CE2 4.08Å; Y473-F475 PolarHBondContact O-N 3.13Å
474	F	47.6	Very low	66.7	Low	79 Å²	79	93.1 Å²	93.1	35%	0.346	47%	0.47	S	S	.	.			trans	-72.4	-0.6	-179.6	-82.9	-61	0	0	0	117.2	L465 S466 L468 S470	L465-F474 VanDerWaalsContact C-CZ 3.45Å; L465-F474 HydrophobicContact CB-CE1 3.6Å; L465-F474 HydrophobicContact CB-CZ 4.27Å; L465-F474 VanDerWaalsContact O-CE1 3.23Å; L465-F474 WeakPolarHBondContact O-CE1 3.46Å; L465-F474 WeakPolarHBondContact O-CZ 3.46Å; S466-F474 VanDerWaalsContact CA-CZ 3.5Å; L468-F474 WeakPolarHBondContact O-CE2 3.21Å; L468-F474 WeakPolarHBondContact O-CZ 3.44Å; S470-F474 WeakPolarHBondContact O-CD2 3.38Å; S470-F474 WeakPolarHBondContact O-CE2 3.04Å
475	F	39	Very low	64.5	Low	210 Å²	210	95.4 Å²	95.4	92%	0.921	48%	0.48	S	S	*	.			trans	-111.4	71.7	176	-65.2	-78.2	0	0	0	110.4	Y473	Y473-F475 PolarHBondContact O-N 3.13Å
476	M	41.3	Very low	62.1	Low	207 Å²	207	100.4 Å²	100.4	100%	1.02	51%	0.505	S	S	*	.			trans	-144.5	0	156.7	-84.9	-174.9	168.2	0	0	107	K320	K320-M476 PolarHBondContact NZ-SD 3.28Å

Retrieved 476 of 476 residues in 562.3 ms (Link to these results)

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