A0A077Z8G8_TRITR Loading...

Endoplasmic reticulum chaperone BIP

AlphaFold DB , UniProt , Accession A0A077Z8G8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 660 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	45.3	Very low	46.2	Very low	218 Å²	218	143.4 Å²	143.4	100%	1.074	71%	0.714	S	S	*	*				0	-10.3	0	-119.7	173.8	88.6	0	0	115.4
2	K	44.6	Very low	45.9	Very low	205 Å²	205	142.7 Å²	142.7	89%	0.891	71%	0.713	S	S	*	*			trans	-96.4	-16.1	172.9	-72.8	-175.4	176.5	-179.3	0	114.7
3	L	43.4	Very low	45.8	Very low	146 Å²	146	137.5 Å²	137.5	76%	0.764	70%	0.699	S	S	*	*	S	Bend	trans	-82.5	-25.7	-177.5	-133.4	71.3	0	0	0	113.9	V5	L3-V5 PolarHBondContact O-N 3.3Å
4	T	48.2	Very low	45.6	Very low	108 Å²	108	137.4 Å²	137.4	66%	0.663	70%	0.7	S	S	*	*	H	α-helix	trans	-77.4	-18.9	-173.3	-25.8	0	0	0	0	113.7
5	V	49	Very low	45.8	Very low	103 Å²	103	137 Å²	137	62%	0.624	70%	0.698	S	S	*	*	H	α-helix	trans	-84.7	-22.3	-177.6	-178.4	0	0	0	0	112	L3	L3-V5 PolarHBondContact O-N 3.3Å
6	F	45.6	Very low	45.6	Very low	164 Å²	164	135.5 Å²	135.5	72%	0.719	70%	0.702	S	S	*	*	H	α-helix	trans	-77.8	-34.5	-179.1	-144.5	-97.5	0	0	0	112.5
7	Y	47.6	Very low	45.4	Very low	175 Å²	175	136.5 Å²	136.5	69%	0.686	70%	0.702	S	S	*	*	H	α-helix	trans	-70.6	-29.7	177.5	-91.1	-87.7	0	0	0	113.8	F9	Y7-F9 VanDerWaalsContact C-N 3.31Å; Y7-F9 PolarHBondContact O-N 3.2Å
8	A	48.7	Very low	45.1	Very low	59 Å²	59	132.8 Å²	132.8	49%	0.488	70%	0.703	S	S	.	*	H	α-helix	trans	-71.8	-23.7	-179.7	0	0	0	0	0	113.4
9	F	45.9	Very low	45.1	Very low	174 Å²	174	136.8 Å²	136.8	76%	0.763	71%	0.714	S	S	*	*	H	α-helix	trans	-86	-26	-179.1	-112.2	-89.6	0	0	0	113.7	Y7	Y7-F9 VanDerWaalsContact C-N 3.31Å; Y7-F9 PolarHBondContact O-N 3.2Å
10	L	44.6	Very low	44.8	Very low	111 Å²	111	139.4 Å²	139.4	58%	0.581	72%	0.723	S	S	*	*	H	α-helix	trans	-74.1	-38.4	174.6	-114	96.8	0	0	0	112	L12 S13	L10-L12 PolarHBondContact O-N 3.33Å; L10-S13 PolarHBondContact O-N 3.09Å; L10-S13 PolarHBondContact O-OG 3.48Å
11	L	45.1	Very low	44.6	Very low	114 Å²	114	138.8 Å²	138.8	60%	0.597	72%	0.716	S	S	*	*	H	α-helix	trans	-69.7	-23.1	-177.3	-95.3	146.4	0	0	0	114.7
12	L	43.3	Very low	44.3	Very low	135 Å²	135	133.2 Å²	133.2	71%	0.707	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	-18.9	177.2	-113.7	88.6	0	0	0	114	L10	L10-L12 PolarHBondContact O-N 3.33Å
13	S	43.7	Very low	44	Very low	76 Å²	76	133.2 Å²	133.2	53%	0.531	70%	0.699	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.3	-21	-179.3	68.7	0	0	0	0	113.6	L10	L10-S13 PolarHBondContact O-N 3.09Å; L10-S13 PolarHBondContact O-OG 3.48Å
14	L	43.6	Very low	43.8	Very low	135 Å²	135	130.9 Å²	130.9	71%	0.707	69%	0.691	S	S	*	*	S	Bend	trans	-85.8	-12.1	-179.1	-89.2	134.1	0	0	0	114.5
15	I	48.9	Very low	43.4	Very low	132 Å²	132	130.6 Å²	130.6	68%	0.677	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-11.9	-174.4	-61.4	174.1	0	0	0	112.9
16	C	42.4	Very low	42.8	Very low	113 Å²	113	134.4 Å²	134.4	76%	0.764	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.7	2.5	-175.7	-73.8	0	0	0	0	116.5
17	H	42.5	Very low	42.4	Very low	152 Å²	152	129.2 Å²	129.2	70%	0.704	69%	0.686	S	S	*	*			trans	-109.9	7.5	-179.6	-76.8	85.6	0	0	0	114.9	K19	H17-K19 VanDerWaalsContact C-N 3.31Å; H17-K19 PolarHBondContact O-N 3.49Å
18	G	40.3	Very low	42.2	Very low	70 Å²	70	128 Å²	128	72%	0.722	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	28.6	-168.7	0	0	0	0	0	118.6
19	K	43.6	Very low	42.3	Very low	209 Å²	209	130.3 Å²	130.3	91%	0.909	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.7	3.5	-179.9	-91	-174.2	177.5	177	0	118.2	H17	H17-K19 VanDerWaalsContact C-N 3.31Å; H17-K19 PolarHBondContact O-N 3.49Å
20	E	40.6	Very low	42.8	Very low	189 Å²	189	124.8 Å²	124.8	88%	0.883	68%	0.678	S	S	*	*	S	Bend	trans	-125.3	6.8	-176.3	-123.2	168.2	-175.4	0	0	115.7
21	Q	40.1	Very low	44.2	Very low	126 Å²	126	126.5 Å²	126.5	59%	0.589	68%	0.681	S	S	*	*			trans	-97.2	-1.2	-165.7	-107.1	176	-19.9	0	0	117.7	K23 T24 E25	Q21-K23 VanDerWaalsContact C-N 3.25Å; Q21-K23 PolarHBondContact O-N 2.88Å; Q21-K23 VanDerWaalsContact O-N 3.12Å; Q21-T24 PolarHBondContact O-OG1 2.97Å; Q21-E25 WeakPolarHBondContact O-CG 3.45Å
22	S	39	Very low	45.9	Very low	102 Å²	102	124 Å²	124	71%	0.713	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	5.7	-171.8	83	0	0	0	0	115.9
23	K	37	Very low	47.9	Very low	204 Å²	204	119.5 Å²	119.5	89%	0.887	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.1	-1.3	177.6	-85.4	-170.9	175.2	-176.9	0	114.6	Q21	Q21-K23 VanDerWaalsContact C-N 3.25Å; Q21-K23 PolarHBondContact O-N 2.88Å; Q21-K23 VanDerWaalsContact O-N 3.12Å
24	T	40.4	Very low	50.2	Low	97 Å²	97	117.6 Å²	117.6	60%	0.595	64%	0.635	S	S	*	*	S	Bend	trans	-100.1	-3.2	175.4	26.5	0	0	0	0	113.1	Q21 E26 G27	Q21-T24 PolarHBondContact O-OG1 2.97Å; T24-E26 PolarHBondContact O-N 3.15Å; T24-G27 PolarHBondContact O-N 3.03Å; T24-G27 VanDerWaalsContact O-N 3.08Å
25	E	40.2	Very low	52.7	Low	103 Å²	103	111.4 Å²	111.4	48%	0.481	60%	0.603	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.4	-16.7	-167.3	-63.2	-175.8	146.6	0	0	115.1	Q21 G27 K413	Q21-E25 WeakPolarHBondContact O-CG 3.45Å; E25-G27 VanDerWaalsContact C-N 3.3Å; E25-K413 IonicContact OE1-NZ 2.94Å; E25-K413 PolarHBondContact OE1-NZ 3.37Å
26	E	36.8	Very low	55	Low	182 Å²	182	105.1 Å²	105.1	85%	0.85	57%	0.57	S	S	*	*	H	α-helix	trans	-79	-13.6	170.1	-71.3	-174.9	158.2	0	0	113	T24 G30	T24-E26 PolarHBondContact O-N 3.15Å; E26-G30 PolarHBondContact O-N 3.44Å
27	G	36	Very low	57.7	Low	56 Å²	56	99.7 Å²	99.7	58%	0.577	53%	0.534	S	S	*	.	H	α-helix	trans	-74.8	-30.3	-172.3	0	0	0	0	0	115.4	T24 E25	T24-G27 PolarHBondContact O-N 3.03Å; T24-G27 VanDerWaalsContact O-N 3.08Å; E25-G27 VanDerWaalsContact C-N 3.3Å
28	E	43.2	Very low	60.4	Low	148 Å²	148	92.5 Å²	92.5	69%	0.692	50%	0.5	S	S	*	.	H	α-helix	trans	-91.2	-39.4	-175.3	-76.5	-174.4	155.7	0	0	113.5	G30 K31	E28-G30 PolarHBondContact O-N 3.35Å; E28-G30 VanDerWaalsContact O-N 3.08Å; E28-K31 PolarHBondContact O-N 3.5Å
29	K	50	Low	63.2	Low	108 Å²	108	90.1 Å²	90.1	47%	0.47	47%	0.471	S	S	.	.	H	α-helix	trans	-58.5	-21.3	166.2	-81.9	-173.4	172	-178.2	0	111.9	K31 D412	K29-K31 PolarHBondContact O-N 3.38Å; K29-D412 WeakPolarHBondContact CE-OD2 3.4Å; K29-D412 IonicContact NZ-OD1 3.99Å; K29-D412 IonicContact NZ-OD2 3.05Å; K29-D412 PolarHBondContact NZ-OD2 3.33Å
30	G	57.4	Low	65.8	Low	58 Å²	58	80.4 Å²	80.4	60%	0.598	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-21.5	177.8	0	0	0	0	0	115.6	E26 E28	E26-G30 PolarHBondContact O-N 3.44Å; E28-G30 PolarHBondContact O-N 3.35Å; E28-G30 VanDerWaalsContact O-N 3.08Å
31	K	73.7	Confident	68.5	Low	148 Å²	148	72 Å²	72	64%	0.643	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-41.3	-169.7	-168.2	178.2	175	-164.4	0	114	E28 K29	E28-K31 PolarHBondContact O-N 3.5Å; K29-K31 PolarHBondContact O-N 3.38Å
32	Y	81.3	Confident	71.1	Confident	62 Å²	62	66.3 Å²	66.3	24%	0.243	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	-12.1	-173.3	-51.6	-60.8	0	0	0	113.6	H171 L200 I409	Y32-H171 AromaticContact CD1-CD2 3.92Å; Y32-H171 AromaticContact CD1-NE2 3.71Å; Y32-H171 PolarHBondContact O-CE1 2.86Å; Y32-H171 PolarHBondContact O-ND1 2.88Å; Y32-L200 HydrophobicContact CD1-CD1 4.18Å; Y32-L200 HydrophobicContact CD1-CD2 4.25Å; Y32-L200 HydrophobicContact CD2-CD1 4.19Å; Y32-L200 HydrophobicContact CE1-CD2 4.14Å; Y32-L200 HydrophobicContact CG-CD1 3.97Å; Y32-I409 HydrophobicContact CE2-CG2 4.43Å
33	G	85.6	Confident	73.9	Confident	40 Å²	40	62 Å²	62	41%	0.412	34%	0.336	S	S	.	.			trans	68.4	-152.4	-165.3	0	0	0	0	0	111.5	V35	G33-V35 PolarHBondContact O-N 3.22Å
34	T	91.2	Very high	76.8	Confident	36 Å²	36	54.9 Å²	54.9	22%	0.221	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-77.5	122.6	176.2	-65.7	0	0	0	0	110.1	I36 V49 L165 K167	T34-I36 HydrophobicContact CG2-CG2 4.49Å; T34-V49 HydrophobicContact CG2-CG2 3.52Å; T34-L165 HydrophobicContact CG2-CD1 3.73Å; T34-K167 VanDerWaalsContact OG1-CE 3.27Å; T34-K167 WeakPolarHBondContact OG1-CE 3.45Å; T34-K167 PolarHBondContact OG1-NZ 3.26Å
35	V	96.6	Very high	79.5	Confident	4 Å²	4	50.3 Å²	50.3	2%	0.024	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	129.3	173.5	-169.8	0	0	0	0	108.2	G33 H171 V173 L200 A406	G33-V35 PolarHBondContact O-N 3.22Å; V35-H171 WeakPolarHBondContact CA-O 3.47Å; V35-H171 HydrophobicContact CB-CB 4.48Å; V35-H171 HydrophobicContact CG1-CB 4.22Å; V35-H171 HydrophobicContact CG2-CB 4Å; V35-V173 HydrophobicContact CG1-CG2 4.34Å; V35-L200 HydrophobicContact CG1-CD1 4Å; V35-L200 HydrophobicContact CG2-CD1 3.81Å; V35-A406 HydrophobicContact CB-CB 3.95Å; V35-A406 HydrophobicContact CG1-CB 3.67Å; V35-A406 WeakPolarHBondContact O-CB 3.33Å
36	I	98.1	Very high	82.3	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	152.3	177.8	59.9	172.8	0	0	0	111.2	T34 I38 V47 A161 L165 V169 H171 A172 V173	T34-I36 HydrophobicContact CG2-CG2 4.49Å; I36-I38 HydrophobicContact CD1-CD1 3.73Å; I36-I38 HydrophobicContact CD1-CG1 3.92Å; I36-I38 HydrophobicContact CG1-CD1 4.25Å; I36-I38 HydrophobicContact CG1-CG1 4.19Å; I36-V47 HydrophobicContact CB-CG2 4.25Å; I36-V47 HydrophobicContact CD1-CG2 4.01Å; I36-A161 HydrophobicContact CD1-CB 4.04Å; I36-A161 HydrophobicContact CG2-CB 3.92Å; I36-L165 HydrophobicContact CG2-CD1 4.43Å; I36-V169 HydrophobicContact CB-CG1 4.5Å; I36-V169 HydrophobicContact CD1-CG1 3.8Å; I36-V169 HydrophobicContact CG1-CG1 3.83Å; I36-V169 HydrophobicContact CG2-CG1 3.95Å; I36-V169 HydrophobicContact CG2-CG2 4.37Å; I36-H171 PolarHBondContact N-O 3.41Å; I36-A172 HydrophobicContact CG1-CB 3.9Å; I36-A172 CarbonylContact O-C 3.52Å; I36-A172 VanDerWaalsContact O-CA 3.25Å; I36-A172 WeakPolarHBondContact O-CA 3.46Å; I36-V173 PolarHBondContact O-N 3.39Å
37	G	98.6	Very high	85.3	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	124.2	169.7	0	0	0	0	0	110.2	V47 G48	G37-V47 WeakPolarHBondContact O-CA 3.28Å; G37-G48 PolarHBondContact N-O 3.32Å; G37-G48 PolarHBondContact O-N 3.07Å
38	I	98.8	Very high	88.2	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	120.2	179.8	-56.3	168.5	0	0	0	109.4	I36 C46 V47 L154 M157 A172 V173 V174 T175 L197	I36-I38 HydrophobicContact CD1-CD1 3.73Å; I36-I38 HydrophobicContact CD1-CG1 3.92Å; I36-I38 HydrophobicContact CG1-CD1 4.25Å; I36-I38 HydrophobicContact CG1-CG1 4.19Å; I38-C46 WeakPolarHBondContact CA-O 3.41Å; I38-V47 HydrophobicContact CG1-CB 4.42Å; I38-V47 HydrophobicContact CG1-CG2 3.94Å; I38-L154 HydrophobicContact CB-CD2 4.41Å; I38-L154 HydrophobicContact CD1-CD2 4.08Å; I38-L154 HydrophobicContact CG2-CD2 3.75Å; I38-M157 HydrophobicContact CD1-CB 4.14Å; I38-M157 HydrophobicContact CG1-CB 4.31Å; I38-M157 HydrophobicContact CG2-CB 4.05Å; I38-M157 HydrophobicContact CG2-CG 3.92Å; I38-A172 HydrophobicContact CD1-CB 4.17Å; I38-V173 PolarHBondContact N-O 2.99Å; I38-V174 WeakPolarHBondContact O-CA 3.33Å; I38-T175 WeakPolarHBondContact O-CG2 3.34Å; I38-T175 PolarHBondContact O-N 2.95Å; I38-L197 HydrophobicContact CD1-CD1 3.79Å
39	D	98.6	Very high	90.8	Very high	20 Å²	20	27.2 Å²	27.2	11%	0.107	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	107.8	159.7	-179.9	18.5	0	0	0	109.8	G41 S45 C46 T175 V398 A399	D39-G41 PolarHBondContact O-N 3.18Å; D39-S45 CarbonylContact O-C 3.46Å; D39-S45 WeakPolarHBondContact O-CA 3.14Å; D39-S45 VanDerWaalsContact O-CB 3.23Å; D39-S45 WeakPolarHBondContact O-CB 3.43Å; D39-C46 HydrophobicContact CB-CB 4.18Å; D39-C46 PolarHBondContact N-O 3.21Å; D39-C46 PolarHBondContact O-N 2.93Å; D39-T175 VanDerWaalsContact CA-OG1 3.29Å; D39-T175 WeakPolarHBondContact CA-OG1 3.42Å; D39-T175 PolarHBondContact OD1-OG1 2.89Å; D39-V398 HydrophobicContact CB-CB 4.22Å; D39-V398 HydrophobicContact CB-CG1 3.81Å; D39-V398 VanDerWaalsContact CG-CG1 3.45Å; D39-A399 HydrophobicContact CB-CB 3.82Å
40	L	98.3	Very high	92.9	Very high	6 Å²	6	22.7 Å²	22.7	3%	0.031	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	79.5	175.4	178.2	63.9	0	0	0	108.9	K101 V153 L154 V174 T175 T188	L40-K101 VanDerWaalsContact O-CD 3.23Å; L40-K101 WeakPolarHBondContact O-CD 3.26Å; L40-K101 WeakPolarHBondContact O-CE 3.49Å; L40-K101 PolarHBondContact O-NZ 2.86Å; L40-V153 HydrophobicContact CD1-CB 4.15Å; L40-V153 HydrophobicContact CD1-CG1 3.84Å; L40-L154 HydrophobicContact CB-CD2 4.19Å; L40-L154 HydrophobicContact CD1-CD2 4.12Å; L40-L154 HydrophobicContact CD1-CG 4.27Å; L40-L154 HydrophobicContact CD2-CD1 4.25Å; L40-L154 HydrophobicContact CD2-CD2 4.16Å; L40-L154 HydrophobicContact CD2-CG 4.19Å; L40-L154 HydrophobicContact CG-CD2 4.38Å; L40-V174 HydrophobicContact CB-CG1 4.2Å; L40-T175 PolarHBondContact N-OG1 3.12Å; L40-T188 HydrophobicContact CD2-CG2 4.06Å
41	G	96.9	Very high	94.5	Very high	12 Å²	12	24.4 Å²	24.4	12%	0.124	13%	0.125	C	C	.	.			trans	-81.4	165.3	-177.3	0	0	0	0	0	114.1	D39 Y44 S69	D39-G41 PolarHBondContact O-N 3.18Å; G41-Y44 CarbonylContact C-O 3.38Å; G41-Y44 WeakPolarHBondContact CA-O 3.33Å; G41-Y44 PolarHBondContact N-O 3.22Å; G41-S69 WeakPolarHBondContact O-CB 3.37Å; G41-S69 PolarHBondContact O-OG 3.5Å
42	T	95.9	Very high	95.1	Very high	6 Å²	6	23.4 Å²	23.4	4%	0.037	13%	0.127	C	C	.	.	S	Bend	trans	-62.4	-45.1	178.5	-49.8	0	0	0	0	112.3	S69 D99 K101 R102	T42-S69 WeakPolarHBondContact O-CB 3.22Å; T42-D99 HydrophobicContact CG2-CB 4.39Å; T42-K101 HydrophobicContact CG2-CB 4.41Å; T42-R102 HydrophobicContact CG2-CG 4.26Å
43	T	96.6	Very high	95.4	Very high	11 Å²	11	22.1 Å²	22.1	7%	0.067	13%	0.133	C	C	.	.	S	Bend	trans	-105.9	-35.3	-174.6	-45.5	0	0	0	0	112.3	P68 S69 G231	T43-P68 CarbonylContact O-C 3.4Å; T43-P68 WeakPolarHBondContact O-CA 3.43Å; T43-S69 PolarHBondContact O-N 3.13Å; T43-G231 WeakPolarHBondContact OG1-CA 3.29Å
44	Y	98	Very high	95.7	Very high	56 Å²	56	27.2 Å²	27.2	22%	0.22	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	143.4	-179.8	-70	-88.8	0	0	0	109.3	G41 I66 T67 P68 K86 R301	G41-Y44 CarbonylContact C-O 3.38Å; G41-Y44 WeakPolarHBondContact CA-O 3.33Å; G41-Y44 PolarHBondContact N-O 3.22Å; Y44-I66 HydrophobicContact CD1-CB 4.24Å; Y44-I66 HydrophobicContact CD1-CD1 3.74Å; Y44-I66 HydrophobicContact CD1-CG1 3.82Å; Y44-I66 HydrophobicContact CE1-CD1 4.17Å; Y44-I66 HydrophobicContact CE1-CG1 4.35Å; Y44-I66 HydrophobicContact CG-CD1 3.95Å; Y44-I66 HydrophobicContact CG-CG1 4.39Å; Y44-T67 CarbonylContact C-O 3.52Å; Y44-T67 VanDerWaalsContact CA-O 3.31Å; Y44-T67 WeakPolarHBondContact CA-O 3.12Å; Y44-P68 HydrophobicContact CD1-CB 4.48Å; Y44-P68 HydrophobicContact CD1-CG 4.2Å; Y44-P68 HydrophobicContact CE1-CB 4.32Å; Y44-P68 HydrophobicContact CE1-CG 3.77Å; Y44-K86 PolarHBondContact OH-NZ 3.31Å; Y44-R301 VanDerWaalsContact CE2-NH2 3.27Å
45	S	98.7	Very high	95.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	152.7	170.8	-60	0	0	0	0	110.1	D39 I66 T67 S69 V153	D39-S45 CarbonylContact O-C 3.46Å; D39-S45 WeakPolarHBondContact O-CA 3.14Å; D39-S45 VanDerWaalsContact O-CB 3.23Å; D39-S45 WeakPolarHBondContact O-CB 3.43Å; S45-I66 CarbonylContact O-C 3.59Å; S45-I66 WeakPolarHBondContact O-CA 3.47Å; S45-T67 PolarHBondContact N-O 3.03Å; S45-T67 PolarHBondContact O-N 3.2Å; S45-S69 PolarHBondContact N-OG 3.23Å; S45-S69 PolarHBondContact OG-OG 3.34Å; S45-V153 WeakPolarHBondContact OG-CG1 3.49Å
46	C	98.6	Very high	95.9	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.014	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	143.1	-176.2	-175.9	0	0	0	0	109.5	I38 D39 R65 I66 A399	I38-C46 WeakPolarHBondContact CA-O 3.41Å; D39-C46 HydrophobicContact CB-CB 4.18Å; D39-C46 PolarHBondContact N-O 3.21Å; D39-C46 PolarHBondContact O-N 2.93Å; C46-R65 PolarHBondContact SG-O 2.83Å; C46-R65 VanDerWaalsContact SG-O 3.34Å; C46-I66 HydrophobicContact CB-CG2 4.08Å; C46-A399 HydrophobicContact CB-CB 3.7Å; C46-A399 WeakPolarHBondContact SG-CB 3.49Å
47	V	98.7	Very high	95.9	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.012	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	135.2	-178.8	61.2	0	0	0	0	110.8	I36 G37 I38 I58 M157 T160 A161	I36-V47 HydrophobicContact CB-CG2 4.25Å; I36-V47 HydrophobicContact CD1-CG2 4.01Å; G37-V47 WeakPolarHBondContact O-CA 3.28Å; I38-V47 HydrophobicContact CG1-CB 4.42Å; I38-V47 HydrophobicContact CG1-CG2 3.94Å; V47-I58 HydrophobicContact CG1-CB 4.21Å; V47-I58 PolarHBondContact O-N 3.3Å; V47-M157 HydrophobicContact CB-CB 4.21Å; V47-M157 HydrophobicContact CG1-CB 4.49Å; V47-M157 HydrophobicContact CG1-SD 4.38Å; V47-T160 HydrophobicContact CG1-CG2 4.02Å; V47-A161 HydrophobicContact CG2-CB 4.18Å
48	G	98.3	Very high	95.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	160.1	177.6	0	0	0	0	0	112.6	G37 E56	G37-G48 PolarHBondContact N-O 3.32Å; G37-G48 PolarHBondContact O-N 3.07Å; G48-E56 CarbonylContact C-O 3.54Å; G48-E56 WeakPolarHBondContact CA-O 3.49Å
49	V	97.3	Very high	95.8	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	138.8	174	65	0	0	0	0	109.9	T34 V55 E56 I58 Y164 L165	T34-V49 HydrophobicContact CG2-CG2 3.52Å; V49-V55 WeakPolarHBondContact O-CA 3.31Å; V49-E56 HydrophobicContact CG1-CB 4.09Å; V49-E56 PolarHBondContact N-O 2.79Å; V49-E56 PolarHBondContact O-N 3.41Å; V49-I58 HydrophobicContact CB-CD1 4.32Å; V49-I58 HydrophobicContact CG1-CD1 3.93Å; V49-I58 HydrophobicContact CG1-CG1 4.34Å; V49-Y164 HydrophobicContact CG1-CE1 4.2Å; V49-L165 HydrophobicContact CG1-CD2 4.44Å; V49-L165 HydrophobicContact CG2-CD2 4.47Å
50	F	94.8	Very high	95.8	Very high	12 Å²	12	31.3 Å²	31.3	5%	0.053	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	119.5	168.7	-167.6	-85.7	0	0	0	109.1	V55 A403 V404 D412 D414 T415	F50-V55 HydrophobicContact CD2-CG2 3.8Å; F50-A403 WeakPolarHBondContact CB-O 3.42Å; F50-V404 HydrophobicContact CD2-CG2 4.47Å; F50-D412 HydrophobicContact CD1-CB 4.08Å; F50-D412 HydrophobicContact CE1-CB 4.23Å; F50-D414 HydrophobicContact CE1-CB 4.08Å; F50-D414 HydrophobicContact CZ-CB 4.23Å; F50-T415 HydrophobicContact CD1-CG2 3.84Å; F50-T415 HydrophobicContact CD2-CG2 4.14Å; F50-T415 HydrophobicContact CE1-CG2 3.58Å; F50-T415 HydrophobicContact CE2-CG2 3.91Å; F50-T415 HydrophobicContact CG-CG2 4.11Å; F50-T415 HydrophobicContact CZ-CG2 3.62Å
51	K	89.6	Confident	95.5	Very high	95 Å²	95	36.1 Å²	36.1	41%	0.413	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	136.9	-179.3	-172	-179.3	178.2	-175.3	0	109.8	G53 R54	K51-G53 VanDerWaalsContact C-N 3.34Å; K51-G53 PolarHBondContact O-N 3.15Å; K51-R54 PolarHBondContact N-O 2.99Å; K51-R54 PolarHBondContact O-N 3.14Å
52	N	86.9	Confident	95.4	Very high	126 Å²	126	41.5 Å²	41.5	67%	0.674	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	44.6	177.8	-52.6	-24.2	0	0	0	112.7	R54	N52-R54 VanDerWaalsContact C-N 3.26Å; N52-R54 PolarHBondContact O-N 3.34Å
53	G	87.5	Confident	95.4	Very high	36 Å²	36	43.9 Å²	43.9	37%	0.371	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	12	177.7	0	0	0	0	0	116.2	K51	K51-G53 VanDerWaalsContact C-N 3.34Å; K51-G53 PolarHBondContact O-N 3.15Å
54	R	91.7	Very high	95.4	Very high	147 Å²	147	46.5 Å²	46.5	56%	0.555	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.4	161.6	175.9	69.1	-173.6	-169.2	-153.1	3.7	112	K51 N52 E56	K51-R54 PolarHBondContact N-O 2.99Å; K51-R54 PolarHBondContact O-N 3.14Å; N52-R54 VanDerWaalsContact C-N 3.26Å; N52-R54 PolarHBondContact O-N 3.34Å; R54-E56 IonicContact CZ-OE1 3.61Å; R54-E56 IonicContact NE-OE1 2.82Å; R54-E56 PolarHBondContact NE-OE1 3.11Å; R54-E56 IonicContact NH2-OE1 3.95Å; R54-E56 PolarHBondContact NH2-OE1 2.92Å
55	V	95	Very high	95.4	Very high	15 Å²	15	50.2 Å²	50.2	9%	0.091	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	134	169.9	176	0	0	0	0	110.1	V49 F50 I57 Y400 A403 V404	V49-V55 WeakPolarHBondContact O-CA 3.31Å; F50-V55 HydrophobicContact CD2-CG2 3.8Å; V55-I57 HydrophobicContact CG1-CD1 4.09Å; V55-Y400 HydrophobicContact CB-CD1 4.27Å; V55-Y400 HydrophobicContact CB-CD2 3.76Å; V55-Y400 HydrophobicContact CB-CE1 4.03Å; V55-Y400 HydrophobicContact CB-CE2 3.52Å; V55-Y400 HydrophobicContact CB-CG 4.13Å; V55-Y400 HydrophobicContact CG1-CD1 4.44Å; V55-Y400 HydrophobicContact CG1-CD2 3.68Å; V55-Y400 HydrophobicContact CG1-CE2 3.99Å; V55-Y400 HydrophobicContact CG1-CG 3.92Å; V55-Y400 HydrophobicContact CG2-CD1 3.88Å; V55-Y400 HydrophobicContact CG2-CD2 4.3Å; V55-Y400 HydrophobicContact CG2-CE1 3.59Å; V55-Y400 HydrophobicContact CG2-CE2 4.07Å; V55-Y400 HydrophobicContact CG2-CG 4.21Å; V55-A403 HydrophobicContact CG1-CB 3.8Å; V55-A403 HydrophobicContact CG2-CB 4.26Å; V55-V404 HydrophobicContact CG2-CG2 3.53Å
56	E	96.7	Very high	95.4	Very high	49 Å²	49	52 Å²	52	23%	0.229	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	119.5	168.5	-65.4	-70.7	177.2	0	0	108.9	G48 V49 R54	G48-E56 CarbonylContact C-O 3.54Å; G48-E56 WeakPolarHBondContact CA-O 3.49Å; V49-E56 HydrophobicContact CG1-CB 4.09Å; V49-E56 PolarHBondContact N-O 2.79Å; V49-E56 PolarHBondContact O-N 3.41Å; R54-E56 IonicContact CZ-OE1 3.61Å; R54-E56 IonicContact NE-OE1 2.82Å; R54-E56 PolarHBondContact NE-OE1 3.11Å; R54-E56 IonicContact NH2-OE1 3.95Å; R54-E56 PolarHBondContact NH2-OE1 2.92Å
57	I	98	Very high	95.4	Very high	20 Å²	20	52.1 Å²	52.1	10%	0.103	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	121.5	169.1	-59.8	-60.5	0	0	0	108.1	V55 R65 E396 A399	V55-I57 HydrophobicContact CG1-CD1 4.09Å; I57-R65 HydrophobicContact CG2-CB 4Å; I57-R65 HydrophobicContact CG2-CG 4.28Å; I57-E396 HydrophobicContact CG1-CB 4.29Å; I57-E396 HydrophobicContact CG2-CG 4.26Å; I57-A399 HydrophobicContact CD1-CB 4.18Å
58	I	98.3	Very high	95.4	Very high	5 Å²	5	52 Å²	52	3%	0.026	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-92.4	128.4	-166.2	-51.8	174.9	0	0	0	109.7	V47 V49 T160 A161 Y164	V47-I58 HydrophobicContact CG1-CB 4.21Å; V47-I58 PolarHBondContact O-N 3.3Å; V49-I58 HydrophobicContact CB-CD1 4.32Å; V49-I58 HydrophobicContact CG1-CD1 3.93Å; V49-I58 HydrophobicContact CG1-CG1 4.34Å; I58-T160 HydrophobicContact CB-CG2 4.41Å; I58-T160 HydrophobicContact CG2-CG2 3.8Å; I58-A161 HydrophobicContact CD1-CB 3.87Å; I58-Y164 HydrophobicContact CD1-CD1 3.8Å; I58-Y164 HydrophobicContact CD1-CE1 4.5Å; I58-Y164 HydrophobicContact CD1-CG 4.23Å; I58-Y164 HydrophobicContact CG1-CD1 4.02Å; I58-Y164 HydrophobicContact CG1-CE1 4.45Å; I58-Y164 HydrophobicContact CG1-CG 4.24Å; I58-Y164 VanDerWaalsContact CG2-CB 3.45Å; I58-Y164 HydrophobicContact CG2-CD1 4.35Å; I58-Y164 HydrophobicContact CG2-CD2 4.13Å; I58-Y164 HydrophobicContact CG2-CG 3.73Å
59	A	98.1	Very high	95.4	Very high	46 Å²	46	52.5 Å²	52.5	38%	0.38	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-77.6	141.5	173	0	0	0	0	0	111.2	N64 R65 T160	A59-N64 CarbonylContact C-O 3.59Å; A59-N64 WeakPolarHBondContact CA-O 3.36Å; A59-R65 HydrophobicContact CB-CG 4.44Å; A59-T160 WeakPolarHBondContact O-CG2 3.42Å
60	N	97.5	Very high	95.5	Very high	11 Å²	11	52.7 Å²	52.7	6%	0.059	28%	0.279	C	S	.	.			trans	-72.9	-179.7	173.6	73.8	10.4	0	0	0	112.1	Q62 G63 N64 T67 D83 T160	N60-Q62 PolarHBondContact O-N 3.44Å; N60-Q62 VanDerWaalsContact O-N 3.12Å; N60-Q62 WeakPolarHBondContact OD1-CA 3.33Å; N60-Q62 WeakPolarHBondContact OD1-CB 3.25Å; N60-Q62 PolarHBondContact OD1-N 3.09Å; N60-G63 PolarHBondContact O-N 3.42Å; N60-G63 PolarHBondContact OD1-N 3.31Å; N60-N64 PolarHBondContact N-O 3.47Å; N60-N64 PolarHBondContact OD1-N 3.46Å; N60-N64 PolarHBondContact OD1-O 3.05Å; N60-T67 PolarHBondContact ND2-OG1 3.31Å; N60-D83 PolarHBondContact ND2-OD2 3.28Å; N60-T160 HydrophobicContact CB-CG2 4.23Å
61	D	92.9	Very high	95.6	Very high	106 Å²	106	52.2 Å²	52.2	57%	0.567	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-12	-179.9	58.9	30.4	0	0	0	115	K156	D61-K156 IonicContact OD2-NZ 2.88Å; D61-K156 PolarHBondContact OD2-NZ 3.01Å
62	Q	93.9	Very high	96.1	Very high	125 Å²	125	47.7 Å²	47.7	58%	0.584	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	2.1	171.3	-56	-54.2	-64.2	0	0	112.8	N60 N64 D83	N60-Q62 PolarHBondContact O-N 3.44Å; N60-Q62 VanDerWaalsContact O-N 3.12Å; N60-Q62 WeakPolarHBondContact OD1-CA 3.33Å; N60-Q62 WeakPolarHBondContact OD1-CB 3.25Å; N60-Q62 PolarHBondContact OD1-N 3.09Å; Q62-N64 VanDerWaalsContact C-N 3.32Å; Q62-D83 HydrophobicContact CG-CB 4.11Å
63	G	96.1	Very high	96.5	Very high	56 Å²	56	41.7 Å²	41.7	58%	0.577	23%	0.225	S	C	*	.	S	Bend	trans	79.6	9	-176.9	0	0	0	0	0	114.6	N60	N60-G63 PolarHBondContact O-N 3.42Å; N60-G63 PolarHBondContact OD1-N 3.31Å
64	N	97.7	Very high	96.8	Very high	66 Å²	66	40.6 Å²	40.6	35%	0.353	21%	0.211	S	C	.	.			trans	-90.6	133.8	179.7	-61.3	-43.7	0	0	0	110.9	A59 N60 Q62 I66 D83	A59-N64 CarbonylContact C-O 3.59Å; A59-N64 WeakPolarHBondContact CA-O 3.36Å; N60-N64 PolarHBondContact N-O 3.47Å; N60-N64 PolarHBondContact OD1-N 3.46Å; N60-N64 PolarHBondContact OD1-O 3.05Å; Q62-N64 VanDerWaalsContact C-N 3.32Å; N64-I66 VanDerWaalsContact C-N 3.28Å; N64-I66 WeakPolarHBondContact CB-O 3.33Å; N64-I66 PolarHBondContact O-N 3.27Å; N64-D83 PolarHBondContact ND2-OD2 2.96Å
65	R	97.8	Very high	96.7	Very high	135 Å²	135	37.9 Å²	37.9	51%	0.509	21%	0.213	S	C	.	.	S	Bend	trans	-77.1	-13	176.9	-71.6	-176.9	178.1	-176.3	-3.8	114.6	C46 I57 A59 E396	C46-R65 PolarHBondContact SG-O 2.83Å; C46-R65 VanDerWaalsContact SG-O 3.34Å; I57-R65 HydrophobicContact CG2-CB 4Å; I57-R65 HydrophobicContact CG2-CG 4.28Å; A59-R65 HydrophobicContact CB-CG 4.44Å; R65-E396 WeakPolarHBondContact CD-OE1 3.26Å; R65-E396 IonicContact NH1-OE1 3.98Å; R65-E396 PolarHBondContact NH1-OE1 3.26Å; R65-E396 IonicContact NH1-OE2 3.72Å
66	I	98	Very high	96.3	Very high	38 Å²	38	44.6 Å²	44.6	20%	0.195	24%	0.243	C	C	.	.	S	Bend	trans	-127.1	142	173.4	62.7	177.1	0	0	0	107.8	Y44 S45 C46 N64 D395	Y44-I66 HydrophobicContact CD1-CB 4.24Å; Y44-I66 HydrophobicContact CD1-CD1 3.74Å; Y44-I66 HydrophobicContact CD1-CG1 3.82Å; Y44-I66 HydrophobicContact CE1-CD1 4.17Å; Y44-I66 HydrophobicContact CE1-CG1 4.35Å; Y44-I66 HydrophobicContact CG-CD1 3.95Å; Y44-I66 HydrophobicContact CG-CG1 4.39Å; S45-I66 CarbonylContact O-C 3.59Å; S45-I66 WeakPolarHBondContact O-CA 3.47Å; C46-I66 HydrophobicContact CB-CG2 4.08Å; N64-I66 VanDerWaalsContact C-N 3.28Å; N64-I66 WeakPolarHBondContact CB-O 3.33Å; N64-I66 PolarHBondContact O-N 3.27Å; I66-D395 HydrophobicContact CG2-CB 4.45Å
67	T	98.6	Very high	95.9	Very high	4 Å²	4	43.2 Å²	43.2	3%	0.025	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	130.3	-178.2	-62.2	0	0	0	0	109.3	Y44 S45 N60 S69 G82 K156 M157	Y44-T67 CarbonylContact C-O 3.52Å; Y44-T67 VanDerWaalsContact CA-O 3.31Å; Y44-T67 WeakPolarHBondContact CA-O 3.12Å; S45-T67 PolarHBondContact N-O 3.03Å; S45-T67 PolarHBondContact O-N 3.2Å; N60-T67 PolarHBondContact ND2-OG1 3.31Å; T67-S69 PolarHBondContact O-N 3.34Å; T67-G82 VanDerWaalsContact CG2-CA 3.49Å; T67-K156 HydrophobicContact CG2-CG 4.4Å; T67-M157 HydrophobicContact CG2-CE 3.54Å
68	P	98.4	Very high	95.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	135.5	175.4	-25.5	32.9	0	0	0	112.4	T43 Y44 Y70 G82 D83 K86	T43-P68 CarbonylContact O-C 3.4Å; T43-P68 WeakPolarHBondContact O-CA 3.43Å; Y44-P68 HydrophobicContact CD1-CB 4.48Å; Y44-P68 HydrophobicContact CD1-CG 4.2Å; Y44-P68 HydrophobicContact CE1-CB 4.32Å; Y44-P68 HydrophobicContact CE1-CG 3.77Å; P68-Y70 HydrophobicContact CB-CD2 3.65Å; P68-Y70 HydrophobicContact CB-CE2 4.39Å; P68-Y70 HydrophobicContact CB-CG 4.24Å; P68-Y70 PolarHBondContact O-N 2.96Å; P68-G82 WeakPolarHBondContact O-CA 3.21Å; P68-D83 VanDerWaalsContact CD-OD1 3.26Å; P68-D83 WeakPolarHBondContact CD-OD1 3.17Å; P68-D83 WeakPolarHBondContact CG-OD1 3.44Å; P68-K86 HydrophobicContact CB-CB 4.09Å; P68-K86 HydrophobicContact CB-CD 3.95Å; P68-K86 HydrophobicContact CG-CB 4.17Å; P68-K86 HydrophobicContact CG-CD 3.87Å
69	S	98.6	Very high	95.4	Very high	10 Å²	10	45.9 Å²	45.9	7%	0.07	25%	0.253	C	S	.	.			trans	-78.7	58.4	174.8	-57.3	0	0	0	0	110.8	G41 T42 T43 S45 T67	G41-S69 WeakPolarHBondContact O-CB 3.37Å; G41-S69 PolarHBondContact O-OG 3.5Å; T42-S69 WeakPolarHBondContact O-CB 3.22Å; T43-S69 PolarHBondContact O-N 3.13Å; S45-S69 PolarHBondContact N-OG 3.23Å; S45-S69 PolarHBondContact OG-OG 3.34Å; T67-S69 PolarHBondContact O-N 3.34Å
70	Y	98.6	Very high	95.3	Very high	5 Å²	5	45 Å²	45	2%	0.02	24%	0.242	C	C	.	.			trans	-121.3	138.6	-174	-80.2	-117.1	0	0	0	109.8	P68 I81 G82 K86 L89 T96 V97 F98	P68-Y70 HydrophobicContact CB-CD2 3.65Å; P68-Y70 HydrophobicContact CB-CE2 4.39Å; P68-Y70 HydrophobicContact CB-CG 4.24Å; P68-Y70 PolarHBondContact O-N 2.96Å; Y70-I81 CarbonylContact O-C 3.51Å; Y70-I81 WeakPolarHBondContact O-CA 3.48Å; Y70-G82 PolarHBondContact O-N 3.41Å; Y70-K86 HydrophobicContact CD1-CB 4.04Å; Y70-K86 HydrophobicContact CD1-CG 4.34Å; Y70-K86 HydrophobicContact CD2-CB 4.5Å; Y70-K86 HydrophobicContact CE1-CB 4.46Å; Y70-K86 HydrophobicContact CE1-CG 4.25Å; Y70-K86 HydrophobicContact CE2-CD 4.36Å; Y70-K86 HydrophobicContact CG-CB 4.07Å; Y70-L89 HydrophobicContact CE1-CD2 4.15Å; Y70-T96 HydrophobicContact CD1-CG2 4.06Å; Y70-V97 WeakPolarHBondContact CA-O 3.29Å; Y70-F98 HydrophobicContact CD1-CB 3.74Å; Y70-F98 HydrophobicContact CD1-CD1 4.24Å; Y70-F98 HydrophobicContact CD1-CG 4.29Å; Y70-F98 HydrophobicContact CD2-CB 3.96Å; Y70-F98 HydrophobicContact CE1-CB 3.51Å; Y70-F98 AromaticContact CE1-CD1 3.71Å; Y70-F98 HydrophobicContact CE1-CD1 3.71Å; Y70-F98 AromaticContact CE1-CG 3.68Å; Y70-F98 HydrophobicContact CE1-CG 3.68Å; Y70-F98 HydrophobicContact CE2-CB 3.73Å; Y70-F98 HydrophobicContact CE2-CG 4.48Å; Y70-F98 HydrophobicContact CG-CB 3.95Å; Y70-F98 VanDerWaalsContact CZ-CB 3.49Å; Y70-F98 AromaticContact CZ-CG 3.78Å
71	V	98.5	Very high	95.3	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.006	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	133.2	173.7	180	0	0	0	0	108.2	F73 R79 L80 I81 T96 V97 I149 M152 V153	V71-F73 HydrophobicContact CG1-CE2 4.05Å; V71-F73 HydrophobicContact CG1-CZ 4.19Å; V71-R79 HydrophobicContact CG1-CG 4.4Å; V71-L80 CarbonylContact C-O 3.43Å; V71-L80 WeakPolarHBondContact CA-O 3.2Å; V71-I81 HydrophobicContact CG2-CG1 4.49Å; V71-I81 HydrophobicContact CG2-CG2 4.46Å; V71-T96 CarbonylContact O-C 3.6Å; V71-T96 WeakPolarHBondContact O-CA 3.4Å; V71-V97 PolarHBondContact N-O 2.92Å; V71-V97 PolarHBondContact O-N 3.28Å; V71-I149 HydrophobicContact CB-CG2 4.35Å; V71-I149 HydrophobicContact CG2-CG2 4Å; V71-M152 HydrophobicContact CG1-SD 3.61Å; V71-M152 HydrophobicContact CG2-CB 3.94Å; V71-M152 HydrophobicContact CG2-SD 4.5Å; V71-V153 HydrophobicContact CG2-CG2 3.97Å
72	A	98.4	Very high	95.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	152.4	175.2	0	0	0	0	0	111.7	R79 L80 A85 N95 T96	A72-R79 WeakPolarHBondContact O-CA 3.31Å; A72-L80 HydrophobicContact CB-CB 4.33Å; A72-L80 PolarHBondContact N-O 3.13Å; A72-L80 PolarHBondContact O-N 3.16Å; A72-A85 HydrophobicContact CB-CB 3.86Å; A72-N95 VanDerWaalsContact CA-O 3.24Å; A72-N95 WeakPolarHBondContact CA-O 3.49Å; A72-T96 HydrophobicContact CB-CG2 4.11Å
73	F	96.9	Very high	95.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	122.3	171.6	-60.3	-86.4	0	0	0	108.8	V71 E78 R79 N92 N95 V135 V137 F144 M152 F552	V71-F73 HydrophobicContact CG1-CE2 4.05Å; V71-F73 HydrophobicContact CG1-CZ 4.19Å; F73-E78 CarbonylContact C-O 3.57Å; F73-E78 WeakPolarHBondContact CA-O 3.46Å; F73-R79 HydrophobicContact CD1-CB 4.18Å; F73-R79 HydrophobicContact CD1-CG 4.27Å; F73-R79 HydrophobicContact CE1-CB 4.08Å; F73-R79 HydrophobicContact CE1-CG 3.84Å; F73-R79 HydrophobicContact CZ-CG 4.4Å; F73-N92 PolarHBondContact O-ND2 3.33Å; F73-N95 PolarHBondContact N-O 2.87Å; F73-V135 HydrophobicContact CD2-CB 4.18Å; F73-V135 HydrophobicContact CD2-CG1 4.48Å; F73-V135 HydrophobicContact CD2-CG2 3.62Å; F73-V135 HydrophobicContact CE2-CG2 3.77Å; F73-V135 HydrophobicContact CG-CG2 4.42Å; F73-V137 HydrophobicContact CB-CG2 4.11Å; F73-V137 HydrophobicContact CD1-CB 4.33Å; F73-V137 HydrophobicContact CD1-CG1 3.94Å; F73-V137 HydrophobicContact CD1-CG2 3.57Å; F73-V137 HydrophobicContact CD2-CG2 4.26Å; F73-V137 HydrophobicContact CE1-CG2 3.97Å; F73-V137 HydrophobicContact CG-CG2 3.71Å; F73-V137 HydrophobicContact CZ-CG2 4.48Å; F73-F144 HydrophobicContact CE1-CE2 4.2Å; F73-F144 HydrophobicContact CE1-CZ 4.23Å; F73-F144 HydrophobicContact CE2-CD2 4.14Å; F73-F144 AromaticContact CE2-CE2 3.71Å; F73-F144 HydrophobicContact CE2-CE2 3.71Å; F73-F144 HydrophobicContact CE2-CZ 4.47Å; F73-F144 HydrophobicContact CZ-CD2 4.17Å; F73-F144 AromaticContact CZ-CE2 3.48Å; F73-F144 HydrophobicContact CZ-CE2 3.48Å; F73-F144 VanDerWaalsContact CZ-CE2 3.48Å; F73-F144 AromaticContact CZ-CZ 3.78Å; F73-F144 HydrophobicContact CZ-CZ 3.78Å; F73-M152 HydrophobicContact CZ-CE 4.07Å; F73-M152 HydrophobicContact CZ-SD 3.97Å; F73-F552 HydrophobicContact CE1-CE1 4.29Å; F73-F552 HydrophobicContact CE1-CZ 4.45Å
74	T	93.1	Very high	95.7	Very high	13 Å²	13	35.3 Å²	35.3	8%	0.08	19%	0.187	C	C	.	.			trans	-75.9	160.2	-179.6	76.3	0	0	0	0	110.9	E76 G77 E78 L80	T74-E76 WeakPolarHBondContact CB-OE2 3.4Å; T74-E76 PolarHBondContact O-N 3.42Å; T74-E76 VanDerWaalsContact O-N 3.16Å; T74-E76 PolarHBondContact OG1-N 3Å; T74-E76 PolarHBondContact OG1-OE2 3.49Å; T74-G77 PolarHBondContact O-N 2.88Å; T74-G77 PolarHBondContact OG1-N 3.01Å; T74-E78 HydrophobicContact CG2-CB 3.97Å; T74-E78 PolarHBondContact N-O 2.91Å; T74-E78 WeakPolarHBondContact OG1-CB 3.38Å; T74-E78 PolarHBondContact OG1-N 3.49Å; T74-L80 HydrophobicContact CG2-CD1 3.65Å; T74-L80 HydrophobicContact CG2-CG 3.87Å
75	P	89.8	Confident	95.7	Very high	91 Å²	91	32.2 Å²	32.2	59%	0.591	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-25.2	172.6	-25.2	35.6	0	0	0	114.1	G77 G138	P75-G77 VanDerWaalsContact C-N 3.29Å; P75-G138 WeakPolarHBondContact O-CA 3.16Å
76	E	87.1	Confident	95.7	Very high	156 Å²	156	27.7 Å²	27.7	73%	0.729	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-10.2	177.1	-59.7	69.1	-144.1	0	0	112.6	T74	T74-E76 WeakPolarHBondContact CB-OE2 3.4Å; T74-E76 PolarHBondContact O-N 3.42Å; T74-E76 VanDerWaalsContact O-N 3.16Å; T74-E76 PolarHBondContact OG1-N 3Å; T74-E76 PolarHBondContact OG1-OE2 3.49Å
77	G	87.9	Confident	95.6	Very high	19 Å²	19	31.8 Å²	31.8	20%	0.196	18%	0.177	C	C	.	.	S	Bend	trans	94.8	6.4	-179.3	0	0	0	0	0	114.8	T74 P75	T74-G77 PolarHBondContact O-N 2.88Å; T74-G77 PolarHBondContact OG1-N 3.01Å; P75-G77 VanDerWaalsContact C-N 3.29Å
78	E	90.5	Very high	95.5	Very high	68 Å²	68	33 Å²	33	32%	0.318	18%	0.182	S	C	.	.			trans	-73	138.8	175.7	-175.6	180	174.6	0	0	110.7	F73 T74 L80	F73-E78 CarbonylContact C-O 3.57Å; F73-E78 WeakPolarHBondContact CA-O 3.46Å; T74-E78 HydrophobicContact CG2-CB 3.97Å; T74-E78 PolarHBondContact N-O 2.91Å; T74-E78 WeakPolarHBondContact OG1-CB 3.38Å; T74-E78 PolarHBondContact OG1-N 3.49Å; E78-L80 HydrophobicContact CG-CD2 4.02Å; E78-L80 WeakPolarHBondContact OE1-CD2 3.41Å
79	R	94.7	Very high	95.4	Very high	13 Å²	13	33.5 Å²	33.5	5%	0.049	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	121.3	173.5	-177.3	176.9	64.9	176.7	3.3	109.9	V71 A72 F73 I81 D556	V71-R79 HydrophobicContact CG1-CG 4.4Å; A72-R79 WeakPolarHBondContact O-CA 3.31Å; F73-R79 HydrophobicContact CD1-CB 4.18Å; F73-R79 HydrophobicContact CD1-CG 4.27Å; F73-R79 HydrophobicContact CE1-CB 4.08Å; F73-R79 HydrophobicContact CE1-CG 3.84Å; F73-R79 HydrophobicContact CZ-CG 4.4Å; R79-I81 HydrophobicContact CG-CD1 4.49Å; R79-I81 HydrophobicContact CG-CG1 4.28Å; R79-D556 IonicContact CZ-OD2 2.63Å; R79-D556 IonicContact NE-OD2 2.77Å; R79-D556 PolarHBondContact NE-OD2 3.4Å; R79-D556 IonicContact NH2-OD2 3.9Å; R79-D556 PolarHBondContact NH2-OD2 3.15Å
80	L	96.6	Very high	95.2	Very high	29 Å²	29	34.3 Å²	34.3	15%	0.152	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	139.2	175.3	-55.3	178.4	0	0	0	109.7	V71 A72 T74 E78 A84 A85 Q88	V71-L80 CarbonylContact C-O 3.43Å; V71-L80 WeakPolarHBondContact CA-O 3.2Å; A72-L80 HydrophobicContact CB-CB 4.33Å; A72-L80 PolarHBondContact N-O 3.13Å; A72-L80 PolarHBondContact O-N 3.16Å; T74-L80 HydrophobicContact CG2-CD1 3.65Å; T74-L80 HydrophobicContact CG2-CG 3.87Å; E78-L80 HydrophobicContact CG-CD2 4.02Å; E78-L80 WeakPolarHBondContact OE1-CD2 3.41Å; L80-A84 HydrophobicContact CB-CB 4.24Å; L80-A84 HydrophobicContact CD2-CB 4.35Å; L80-A85 HydrophobicContact CB-CB 4.14Å; L80-Q88 HydrophobicContact CD1-CG 3.84Å
81	I	97.9	Very high	95.1	Very high	19 Å²	19	38.7 Å²	38.7	10%	0.097	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	140.4	178.3	-52.8	162.2	0	0	0	108.7	Y70 V71 R79 M152 K156	Y70-I81 CarbonylContact O-C 3.51Å; Y70-I81 WeakPolarHBondContact O-CA 3.48Å; V71-I81 HydrophobicContact CG2-CG1 4.49Å; V71-I81 HydrophobicContact CG2-CG2 4.46Å; R79-I81 HydrophobicContact CG-CD1 4.49Å; R79-I81 HydrophobicContact CG-CG1 4.28Å; I81-M152 HydrophobicContact CD1-CB 4.02Å; I81-M152 HydrophobicContact CG1-CB 4.45Å; I81-K156 HydrophobicContact CB-CB 4.24Å; I81-K156 HydrophobicContact CB-CG 4.39Å; I81-K156 HydrophobicContact CD1-CB 4.5Å; I81-K156 HydrophobicContact CG2-CB 3.63Å; I81-K156 HydrophobicContact CG2-CG 4Å
82	G	98.2	Very high	95	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.9	-136.5	175.7	0	0	0	0	0	114.5	T67 P68 Y70 A84 A85 K86	T67-G82 VanDerWaalsContact CG2-CA 3.49Å; P68-G82 WeakPolarHBondContact O-CA 3.21Å; Y70-G82 PolarHBondContact O-N 3.41Å; G82-A84 VanDerWaalsContact C-N 3.3Å; G82-A84 PolarHBondContact O-N 3.37Å; G82-A85 PolarHBondContact O-N 3.34Å; G82-K86 PolarHBondContact O-N 3.11Å
83	D	97.1	Very high	94.9	Very high	27 Å²	27	40.3 Å²	40.3	14%	0.144	23%	0.23	C	C	.	.	H	α-helix	trans	-58.2	-41.4	-176.7	-70.2	-57.5	0	0	0	112	N60 Q62 N64 P68 A85 K86 N87	N60-D83 PolarHBondContact ND2-OD2 3.28Å; Q62-D83 HydrophobicContact CG-CB 4.11Å; N64-D83 PolarHBondContact ND2-OD2 2.96Å; P68-D83 VanDerWaalsContact CD-OD1 3.26Å; P68-D83 WeakPolarHBondContact CD-OD1 3.17Å; P68-D83 WeakPolarHBondContact CG-OD1 3.44Å; D83-A85 PolarHBondContact O-N 2.8Å; D83-K86 PolarHBondContact O-N 3Å; D83-N87 WeakPolarHBondContact O-CB 3.48Å; D83-N87 PolarHBondContact O-N 3.43Å; D83-N87 PolarHBondContact O-ND2 2.95Å
84	A	96	Very high	94.9	Very high	48 Å²	48	45.6 Å²	45.6	40%	0.397	26%	0.255	S	S	.	.	H	α-helix	trans	-58.8	-46.1	176.7	0	0	0	0	0	111.9	L80 G82 N87 Q88	L80-A84 HydrophobicContact CB-CB 4.24Å; L80-A84 HydrophobicContact CD2-CB 4.35Å; G82-A84 VanDerWaalsContact C-N 3.3Å; G82-A84 PolarHBondContact O-N 3.37Å; A84-N87 PolarHBondContact O-N 3.11Å; A84-Q88 WeakPolarHBondContact O-CG 3.23Å; A84-Q88 PolarHBondContact O-N 2.8Å
85	A	98.1	Very high	95.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-65.2	-44.1	176.7	0	0	0	0	0	112	A72 L80 G82 D83 N87 Q88 L89	A72-A85 HydrophobicContact CB-CB 3.86Å; L80-A85 HydrophobicContact CB-CB 4.14Å; G82-A85 PolarHBondContact O-N 3.34Å; D83-A85 PolarHBondContact O-N 2.8Å; A85-N87 VanDerWaalsContact C-N 3.33Å; A85-N87 PolarHBondContact O-N 3.2Å; A85-Q88 PolarHBondContact O-N 3.5Å; A85-Q88 PolarHBondContact O-NE2 3.48Å; A85-L89 PolarHBondContact O-N 3.19Å
86	K	97.5	Very high	95.5	Very high	40 Å²	40	42 Å²	42	17%	0.174	23%	0.23	C	C	.	.	H	α-helix	trans	-62.8	-38.6	178.1	-174.9	167.6	179.3	163.3	0	112.1	Y44 P68 Y70 G82 D83 Q88 L89 E297	Y44-K86 PolarHBondContact OH-NZ 3.31Å; P68-K86 HydrophobicContact CB-CB 4.09Å; P68-K86 HydrophobicContact CB-CD 3.95Å; P68-K86 HydrophobicContact CG-CB 4.17Å; P68-K86 HydrophobicContact CG-CD 3.87Å; Y70-K86 HydrophobicContact CD1-CB 4.04Å; Y70-K86 HydrophobicContact CD1-CG 4.34Å; Y70-K86 HydrophobicContact CD2-CB 4.5Å; Y70-K86 HydrophobicContact CE1-CB 4.46Å; Y70-K86 HydrophobicContact CE1-CG 4.25Å; Y70-K86 HydrophobicContact CE2-CD 4.36Å; Y70-K86 HydrophobicContact CG-CB 4.07Å; G82-K86 PolarHBondContact O-N 3.11Å; D83-K86 PolarHBondContact O-N 3Å; K86-Q88 PolarHBondContact O-N 3.38Å; K86-L89 WeakPolarHBondContact O-CB 3.38Å; K86-L89 PolarHBondContact O-N 2.98Å; K86-E297 IonicContact NZ-OE1 2.71Å; K86-E297 IonicContact NZ-OE2 3.12Å; K86-E297 PolarHBondContact NZ-OE2 3.36Å
87	N	95.9	Very high	96	Very high	124 Å²	124	34.5 Å²	34.5	66%	0.663	20%	0.195	S	C	*	.	H	α-helix	trans	-65	-36.1	-177.1	-74.2	-23.3	0	0	0	113.5	D83 A84 A85	D83-N87 WeakPolarHBondContact O-CB 3.48Å; D83-N87 PolarHBondContact O-N 3.43Å; D83-N87 PolarHBondContact O-ND2 2.95Å; A84-N87 PolarHBondContact O-N 3.11Å; A85-N87 VanDerWaalsContact C-N 3.33Å; A85-N87 PolarHBondContact O-N 3.2Å
88	Q	95.6	Very high	96.5	Very high	30 Å²	30	33.6 Å²	33.6	14%	0.14	19%	0.186	C	C	.	.	H	α-helix	trans	-91.9	1.3	-178.5	63	74.5	70.7	0	0	114.8	L80 A84 A85 K86 T90 S91 N92 T96	L80-Q88 HydrophobicContact CD1-CG 3.84Å; A84-Q88 WeakPolarHBondContact O-CG 3.23Å; A84-Q88 PolarHBondContact O-N 2.8Å; A85-Q88 PolarHBondContact O-N 3.5Å; A85-Q88 PolarHBondContact O-NE2 3.48Å; K86-Q88 PolarHBondContact O-N 3.38Å; Q88-T90 PolarHBondContact O-N 3.46Å; Q88-T90 VanDerWaalsContact O-N 3.12Å; Q88-S91 PolarHBondContact O-N 3.43Å; Q88-S91 PolarHBondContact O-OG 2.86Å; Q88-N92 PolarHBondContact O-N 3.35Å; Q88-N92 VanDerWaalsContact O-N 3.08Å; Q88-N92 PolarHBondContact OE1-ND2 3.39Å; Q88-T96 PolarHBondContact NE2-OG1 3.23Å
89	L	96.6	Very high	96.8	Very high	11 Å²	11	30.7 Å²	30.7	6%	0.058	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	-43.1	-178.6	170.9	66	0	0	0	112.8	Y70 A85 K86 S91 N92 P93 T96 F98 Q290	Y70-L89 HydrophobicContact CE1-CD2 4.15Å; A85-L89 PolarHBondContact O-N 3.19Å; K86-L89 WeakPolarHBondContact O-CB 3.38Å; K86-L89 PolarHBondContact O-N 2.98Å; L89-S91 VanDerWaalsContact C-N 3.31Å; L89-S91 PolarHBondContact O-N 2.99Å; L89-N92 CarbonylContact O-C 3.49Å; L89-N92 PolarHBondContact O-N 2.93Å; L89-P93 WeakPolarHBondContact O-CA 3.33Å; L89-P93 WeakPolarHBondContact O-CB 3.45Å; L89-P93 WeakPolarHBondContact O-CD 3.39Å; L89-P93 VanDerWaalsContact O-N 3.09Å; L89-T96 HydrophobicContact CB-CG2 4.1Å; L89-T96 HydrophobicContact CD1-CG2 3.63Å; L89-T96 HydrophobicContact CG-CG2 4.46Å; L89-F98 HydrophobicContact CD1-CD1 4.2Å; L89-F98 HydrophobicContact CD1-CE1 3.81Å; L89-Q290 HydrophobicContact CD1-CG 4.18Å; L89-Q290 HydrophobicContact CD2-CB 4.36Å; L89-Q290 HydrophobicContact CD2-CG 4.43Å; L89-Q290 HydrophobicContact CG-CB 4.18Å; L89-Q290 HydrophobicContact CG-CG 4.13Å
90	T	94.7	Very high	96.9	Very high	27 Å²	27	30.5 Å²	30.5	17%	0.166	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-24.5	-175.3	52.1	0	0	0	0	113.7	Q88 Q290 K291	Q88-T90 PolarHBondContact O-N 3.46Å; Q88-T90 VanDerWaalsContact O-N 3.12Å; T90-Q290 HydrophobicContact CG2-CB 4.14Å; T90-K291 HydrophobicContact CG2-CG 3.93Å
91	S	95.1	Very high	96.9	Very high	97 Å²	97	29.8 Å²	29.8	68%	0.678	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-22.7	177	42.5	0	0	0	0	113	Q88 L89	Q88-S91 PolarHBondContact O-N 3.43Å; Q88-S91 PolarHBondContact O-OG 2.86Å; L89-S91 VanDerWaalsContact C-N 3.31Å; L89-S91 PolarHBondContact O-N 2.99Å
92	N	96.5	Very high	96.7	Very high	20 Å²	20	29.1 Å²	29.1	11%	0.107	17%	0.166	C	C	.	.	S	Bend	trans	-138.6	56.8	-176.9	-175.4	25.4	0	0	0	111.8	F73 Q88 L89 E94 N95 T96	F73-N92 PolarHBondContact O-ND2 3.33Å; Q88-N92 PolarHBondContact O-N 3.35Å; Q88-N92 VanDerWaalsContact O-N 3.08Å; Q88-N92 PolarHBondContact OE1-ND2 3.39Å; L89-N92 CarbonylContact O-C 3.49Å; L89-N92 PolarHBondContact O-N 2.93Å; N92-E94 VanDerWaalsContact C-N 3.3Å; N92-E94 PolarHBondContact O-N 2.92Å; N92-N95 PolarHBondContact O-N 3.3Å; N92-N95 WeakPolarHBondContact OD1-CB 3.37Å; N92-N95 PolarHBondContact OD1-ND2 2.96Å; N92-T96 PolarHBondContact O-N 3.31Å; N92-T96 PolarHBondContact O-OG1 3.25Å
93	P	96.7	Very high	96.6	Very high	14 Å²	14	29.1 Å²	29.1	9%	0.091	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-66	-30.2	-168.8	27.3	-36.8	0	0	0	113.6	L89 P121 N286 Q290	L89-P93 WeakPolarHBondContact O-CA 3.33Å; L89-P93 WeakPolarHBondContact O-CB 3.45Å; L89-P93 WeakPolarHBondContact O-CD 3.39Å; L89-P93 VanDerWaalsContact O-N 3.09Å; P93-P121 HydrophobicContact CB-CB 3.86Å; P93-P121 HydrophobicContact CB-CG 4.32Å; P93-P121 WeakPolarHBondContact O-CB 3.41Å; P93-P121 VanDerWaalsContact O-CG 3.23Å; P93-P121 WeakPolarHBondContact O-CG 3.44Å; P93-N286 HydrophobicContact CB-CB 4.06Å; P93-N286 HydrophobicContact CG-CB 3.68Å; P93-Q290 HydrophobicContact CB-CG 3.81Å
94	E	96.8	Very high	96.5	Very high	112 Å²	112	27.9 Å²	27.9	52%	0.523	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-78.9	-22.2	-175.1	-59.8	-175.8	178.8	0	0	113.5	N92 F122 N286	N92-E94 VanDerWaalsContact C-N 3.3Å; N92-E94 PolarHBondContact O-N 2.92Å; E94-F122 WeakPolarHBondContact O-CB 3.42Å; E94-N286 PolarHBondContact OE1-ND2 3.1Å; E94-N286 VanDerWaalsContact OE1-ND2 3.14Å
95	N	97.8	Very high	96.2	Very high	27 Å²	27	26 Å²	26	14%	0.144	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-110.9	19.2	177.9	-50	-67.6	0	0	0	112.2	A72 F73 N92 T136	A72-N95 VanDerWaalsContact CA-O 3.24Å; A72-N95 WeakPolarHBondContact CA-O 3.49Å; F73-N95 PolarHBondContact N-O 2.87Å; N92-N95 PolarHBondContact O-N 3.3Å; N92-N95 WeakPolarHBondContact OD1-CB 3.37Å; N92-N95 PolarHBondContact OD1-ND2 2.96Å; N95-T136 PolarHBondContact OD1-N 3.44Å
96	T	98.4	Very high	95.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	107.6	174.8	-53.7	0	0	0	0	109.3	Y70 V71 A72 Q88 L89 N92 F122	Y70-T96 HydrophobicContact CD1-CG2 4.06Å; V71-T96 CarbonylContact O-C 3.6Å; V71-T96 WeakPolarHBondContact O-CA 3.4Å; A72-T96 HydrophobicContact CB-CG2 4.11Å; Q88-T96 PolarHBondContact NE2-OG1 3.23Å; L89-T96 HydrophobicContact CB-CG2 4.1Å; L89-T96 HydrophobicContact CD1-CG2 3.63Å; L89-T96 HydrophobicContact CG-CG2 4.46Å; N92-T96 PolarHBondContact O-N 3.31Å; N92-T96 PolarHBondContact O-OG1 3.25Å; T96-F122 WeakPolarHBondContact O-CD1 3.35Å
97	V	98.4	Very high	95.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	133.7	-177.3	-166.6	0	0	0	0	109.9	Y70 V71 M103 F122 V133 V135 I149	Y70-V97 WeakPolarHBondContact CA-O 3.29Å; V71-V97 PolarHBondContact N-O 2.92Å; V71-V97 PolarHBondContact O-N 3.28Å; V97-M103 HydrophobicContact CG1-CE 4.45Å; V97-F122 HydrophobicContact CG1-CD2 4.5Å; V97-F122 HydrophobicContact CG1-CE1 4.36Å; V97-F122 HydrophobicContact CG1-CE2 4.24Å; V97-F122 HydrophobicContact CG1-CZ 4.16Å; V97-V133 HydrophobicContact CG1-CG1 4.22Å; V97-V133 HydrophobicContact CG1-CG2 4.13Å; V97-V133 HydrophobicContact CG2-CG1 3.75Å; V97-V135 HydrophobicContact CG2-CG1 3.83Å; V97-I149 HydrophobicContact CB-CG2 4.34Å; V97-I149 HydrophobicContact CG1-CG1 4.35Å; V97-I149 HydrophobicContact CG1-CG2 3.95Å; V97-I149 HydrophobicContact CG2-CD1 4.37Å
98	F	98	Very high	95.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.132	C	C	.	.			trans	-146.4	173.3	174.6	56.4	-88	0	0	0	108.7	Y70 L89 A100 W120 P121 F122	Y70-F98 HydrophobicContact CD1-CB 3.74Å; Y70-F98 HydrophobicContact CD1-CD1 4.24Å; Y70-F98 HydrophobicContact CD1-CG 4.29Å; Y70-F98 HydrophobicContact CD2-CB 3.96Å; Y70-F98 HydrophobicContact CE1-CB 3.51Å; Y70-F98 AromaticContact CE1-CD1 3.71Å; Y70-F98 HydrophobicContact CE1-CD1 3.71Å; Y70-F98 AromaticContact CE1-CG 3.68Å; Y70-F98 HydrophobicContact CE1-CG 3.68Å; Y70-F98 HydrophobicContact CE2-CB 3.73Å; Y70-F98 HydrophobicContact CE2-CG 4.48Å; Y70-F98 HydrophobicContact CG-CB 3.95Å; Y70-F98 VanDerWaalsContact CZ-CB 3.49Å; Y70-F98 AromaticContact CZ-CG 3.78Å; L89-F98 HydrophobicContact CD1-CD1 4.2Å; L89-F98 HydrophobicContact CD1-CE1 3.81Å; F98-A100 PolarHBondContact O-N 3.36Å; F98-A100 VanDerWaalsContact O-N 3.11Å; F98-W120 AromaticContact CE2-CD1 3.99Å; F98-P121 HydrophobicContact CE1-CG 3.84Å; F98-P121 HydrophobicContact CZ-CG 4.13Å; F98-F122 HydrophobicContact CD1-CD1 4.42Å; F98-F122 AromaticContact CD1-CE1 3.88Å; F98-F122 HydrophobicContact CD1-CE1 3.88Å; F98-F122 HydrophobicContact CE1-CD1 4.23Å; F98-F122 AromaticContact CE1-CE1 3.84Å; F98-F122 HydrophobicContact CE1-CE1 3.84Å; F98-F122 HydrophobicContact CG-CE1 4.26Å; F98-F122 HydrophobicContact CZ-CE1 4.2Å; F98-F122 VanDerWaalsContact O-CZ 3.3Å; F98-F122 WeakPolarHBondContact O-CZ 3.45Å
99	D	96.5	Very high	95.5	Very high	6 Å²	6	27.3 Å²	27.3	3%	0.032	15%	0.154	C	C	.	.			trans	56.2	24.2	-176.1	-59.3	-22.7	0	0	0	114.4	T42 K101 R102 W120	T42-D99 HydrophobicContact CG2-CB 4.39Å; D99-K101 PolarHBondContact O-N 3.34Å; D99-R102 WeakPolarHBondContact O-CB 3.21Å; D99-R102 PolarHBondContact O-N 2.68Å; D99-W120 HydrophobicContact CB-CZ2 4.23Å; D99-W120 PolarHBondContact OD2-NE1 3.45Å
100	A	96.9	Very high	95.2	Very high	10 Å²	10	28.9 Å²	28.9	8%	0.083	16%	0.162	C	C	.	.	H	α-helix	trans	-55.7	-30.5	179.2	0	0	0	0	0	112.6	F98 R102 M103 I104 I149	F98-A100 PolarHBondContact O-N 3.36Å; F98-A100 VanDerWaalsContact O-N 3.11Å; A100-R102 PolarHBondContact O-N 2.9Å; A100-M103 HydrophobicContact CB-CE 4.26Å; A100-M103 WeakPolarHBondContact O-CA 3.31Å; A100-M103 WeakPolarHBondContact O-CB 3.33Å; A100-M103 PolarHBondContact O-N 3.3Å; A100-I104 PolarHBondContact O-N 3.43Å; A100-I149 HydrophobicContact CB-CB 4.13Å; A100-I149 HydrophobicContact CB-CG2 3.65Å
101	K	96.2	Very high	95.1	Very high	13 Å²	13	36.6 Å²	36.6	6%	0.057	19%	0.194	C	C	.	.	H	α-helix	trans	-63.3	-21.4	174.4	-163.5	173.3	-174.5	-177.1	0	114	L40 T42 D99 M103 I104 F180 E205	L40-K101 VanDerWaalsContact O-CD 3.23Å; L40-K101 WeakPolarHBondContact O-CD 3.26Å; L40-K101 WeakPolarHBondContact O-CE 3.49Å; L40-K101 PolarHBondContact O-NZ 2.86Å; T42-K101 HydrophobicContact CG2-CB 4.41Å; D99-K101 PolarHBondContact O-N 3.34Å; K101-M103 VanDerWaalsContact C-N 3.35Å; K101-I104 HydrophobicContact CG-CG2 4.44Å; K101-I104 WeakPolarHBondContact O-CG2 3.4Å; K101-F180 HydrophobicContact CG-CZ 3.96Å; K101-E205 IonicContact NZ-OE1 3.8Å; K101-E205 PolarHBondContact NZ-OE1 2.89Å
102	R	94.2	Very high	94.8	Very high	5 Å²	5	33 Å²	33	2%	0.019	17%	0.168	C	C	.	.	H	α-helix	trans	-80.3	-15.7	170.9	-75.8	-157.1	166	-170.8	4.2	113.1	T42 D99 A100 R106 D116 W120 G232 H256 D261	T42-R102 HydrophobicContact CG2-CG 4.26Å; D99-R102 WeakPolarHBondContact O-CB 3.21Å; D99-R102 PolarHBondContact O-N 2.68Å; A100-R102 PolarHBondContact O-N 2.9Å; R102-R106 WeakPolarHBondContact O-CD 3.36Å; R102-R106 PolarHBondContact O-NE 2.68Å; R102-D116 VanDerWaalsContact CD-OD2 3.32Å; R102-D116 WeakPolarHBondContact CD-OD2 3.37Å; R102-D116 IonicContact NH1-OD1 3.28Å; R102-W120 HydrophobicContact CB-CZ2 4.35Å; R102-G232 PolarHBondContact NE-O 3.26Å; R102-G232 PolarHBondContact NH2-O 3.46Å; R102-H256 PolarHBondContact NH1-CE1 2.92Å; R102-H256 PolarHBondContact NH1-ND1 3.29Å; R102-H256 VanDerWaalsContact NH2-C 3.34Å; R102-D261 IonicContact CZ-OD1 3.36Å; R102-D261 IonicContact CZ-OD2 3.19Å; R102-D261 IonicContact NH1-OD1 2.86Å; R102-D261 PolarHBondContact NH1-OD1 3.41Å; R102-D261 IonicContact NH1-OD2 3.57Å; R102-D261 IonicContact NH2-OD1 2.84Å; R102-D261 IonicContact NH2-OD2 2.61Å; R102-D261 PolarHBondContact NH2-OD2 2.9Å
103	M	95	Very high	94.7	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-97.4	-30.7	176.2	-62.2	-175.8	-78.7	0	0	113.2	V97 A100 K101 G105 R106 L113 W120 F122 V124 P131 V133 P146	V97-M103 HydrophobicContact CG1-CE 4.45Å; A100-M103 HydrophobicContact CB-CE 4.26Å; A100-M103 WeakPolarHBondContact O-CA 3.31Å; A100-M103 WeakPolarHBondContact O-CB 3.33Å; A100-M103 PolarHBondContact O-N 3.3Å; K101-M103 VanDerWaalsContact C-N 3.35Å; M103-G105 PolarHBondContact O-N 2.86Å; M103-R106 WeakPolarHBondContact O-CB 3.26Å; M103-R106 PolarHBondContact O-N 2.88Å; M103-L113 HydrophobicContact CB-CD1 4.36Å; M103-L113 HydrophobicContact CG-CD1 3.8Å; M103-W120 HydrophobicContact CG-CH2 3.32Å; M103-W120 HydrophobicContact CG-CZ2 4.17Å; M103-W120 HydrophobicContact CG-CZ3 3.67Å; M103-W120 HydrophobicContact SD-CE3 4.22Å; M103-W120 HydrophobicContact SD-CH2 3.82Å; M103-W120 HydrophobicContact SD-CZ3 3.57Å; M103-W120 VanDerWaalsContact SD-CZ3 3.57Å; M103-F122 HydrophobicContact CE-CE2 4.02Å; M103-F122 HydrophobicContact CE-CZ 4.34Å; M103-F122 HydrophobicContact SD-CE2 4.44Å; M103-V124 HydrophobicContact SD-CG1 4.15Å; M103-V124 HydrophobicContact SD-CG2 3.97Å; M103-P131 HydrophobicContact CB-CG 4.38Å; M103-V133 HydrophobicContact CE-CG2 3.69Å; M103-V133 HydrophobicContact SD-CG2 4.07Å; M103-P146 HydrophobicContact CB-CB 4.03Å; M103-P146 HydrophobicContact CB-CG 3.7Å
104	I	94.6	Very high	94.7	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	133.8	-172.5	-159	168.1	0	0	0	112	A100 K101 R106 P146 E147 F180 Q184 A187	A100-I104 PolarHBondContact O-N 3.43Å; K101-I104 HydrophobicContact CG-CG2 4.44Å; K101-I104 WeakPolarHBondContact O-CG2 3.4Å; I104-R106 PolarHBondContact O-N 3.3Å; I104-R106 VanDerWaalsContact O-N 3.17Å; I104-P146 HydrophobicContact CB-CB 4.07Å; I104-P146 HydrophobicContact CG1-CB 4.32Å; I104-E147 HydrophobicContact CG1-CG 4.36Å; I104-F180 HydrophobicContact CG2-CE2 4.16Å; I104-F180 HydrophobicContact CG2-CZ 4.13Å; I104-Q184 WeakPolarHBondContact O-CG 3.48Å; I104-A187 HydrophobicContact CD1-CB 4.25Å; I104-A187 HydrophobicContact CG1-CB 3.62Å
105	G	91.5	Very high	94.5	Very high	10 Å²	10	29.9 Å²	29.9	10%	0.103	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	8.1	179.6	0	0	0	0	0	116.4	M103	M103-G105 PolarHBondContact O-N 2.86Å
106	R	91.7	Very high	94.3	Very high	27 Å²	27	29 Å²	29	10%	0.102	15%	0.154	C	C	.	.			trans	-95.1	152.1	177.6	-63	-169.7	-175.4	-87.7	-2.5	112.4	R102 M103 I104 D110 S112 P131 T255	R102-R106 WeakPolarHBondContact O-CD 3.36Å; R102-R106 PolarHBondContact O-NE 2.68Å; M103-R106 WeakPolarHBondContact O-CB 3.26Å; M103-R106 PolarHBondContact O-N 2.88Å; I104-R106 PolarHBondContact O-N 3.3Å; I104-R106 VanDerWaalsContact O-N 3.17Å; R106-D110 HydrophobicContact CB-CB 4.38Å; R106-D110 IonicContact CZ-OD2 2.75Å; R106-D110 IonicContact NH1-OD1 3.07Å; R106-D110 IonicContact NH1-OD2 2.93Å; R106-D110 PolarHBondContact NH1-OD2 2.97Å; R106-S112 PolarHBondContact NH1-OG 2.94Å; R106-S112 VanDerWaalsContact NH1-OG 3.15Å; R106-P131 WeakPolarHBondContact O-CD 3.25Å; R106-T255 PolarHBondContact NH2-OG1 3.36Å
107	E	91.7	Very high	94.1	Very high	67 Å²	67	33.6 Å²	33.6	31%	0.313	17%	0.171	S	C	.	.			trans	-81.2	155.1	167.7	-66.7	-175.1	-179.3	0	0	111.6	S109 D110 L113 N535	E107-S109 PolarHBondContact O-N 3.1Å; E107-S109 PolarHBondContact OE2-OG 2.9Å; E107-D110 VanDerWaalsContact O-CB 3.24Å; E107-D110 WeakPolarHBondContact O-CB 3.44Å; E107-D110 PolarHBondContact O-N 3.24Å; E107-D110 VanDerWaalsContact O-N 3.1Å; E107-L113 WeakPolarHBondContact O-CD2 3.46Å; E107-N535 VanDerWaalsContact CG-ND2 3.32Å; E107-N535 WeakPolarHBondContact CG-ND2 3.4Å; E107-N535 WeakPolarHBondContact CG-OD1 3.13Å; E107-N535 PolarHBondContact OE1-ND2 3Å
108	W	94.4	Very high	93.8	Very high	41 Å²	41	41.4 Å²	41.4	16%	0.155	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-32.7	173.6	179.7	-113.2	0	0	0	112.8	D110 L113 Q114 V124 I125 E126 G129 P131	W108-D110 PolarHBondContact O-N 2.87Å; W108-L113 HydrophobicContact CE3-CD2 4.29Å; W108-Q114 PolarHBondContact O-NE2 3.44Å; W108-V124 WeakPolarHBondContact CH2-O 3.31Å; W108-V124 HydrophobicContact CZ3-CG1 4.04Å; W108-I125 VanDerWaalsContact CZ3-C 3.45Å; W108-E126 HydrophobicContact CB-CG 3.96Å; W108-E126 HydrophobicContact CD2-CB 3.65Å; W108-E126 HydrophobicContact CD2-CG 4.03Å; W108-E126 HydrophobicContact CE3-CB 4.1Å; W108-E126 HydrophobicContact CG-CB 3.84Å; W108-E126 HydrophobicContact CG-CG 3.64Å; W108-E126 HydrophobicContact CZ2-CB 4.16Å; W108-E126 PolarHBondContact NE1-OE2 3.12Å; W108-G129 VanDerWaalsContact CB-O 3.23Å; W108-G129 WeakPolarHBondContact CB-O 3.39Å; W108-G129 PolarHBondContact N-O 2.77Å; W108-P131 HydrophobicContact CE3-CB 4.37Å
109	S	92.9	Very high	93.5	Very high	85 Å²	85	44.7 Å²	44.7	59%	0.594	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-11.7	-178.8	74.9	0	0	0	0	114.1	E107 K111	E107-S109 PolarHBondContact O-N 3.1Å; E107-S109 PolarHBondContact OE2-OG 2.9Å; S109-K111 PolarHBondContact O-N 3.48Å
110	D	90.6	Very high	93.5	Very high	44 Å²	44	45.4 Å²	45.4	24%	0.235	22%	0.223	C	C	.	.			trans	-59.5	127.2	-176.8	-177.9	-57.9	0	0	0	111.4	R106 E107 W108 S112 L113 Q114	R106-D110 HydrophobicContact CB-CB 4.38Å; R106-D110 IonicContact CZ-OD2 2.75Å; R106-D110 IonicContact NH1-OD1 3.07Å; R106-D110 IonicContact NH1-OD2 2.93Å; R106-D110 PolarHBondContact NH1-OD2 2.97Å; E107-D110 VanDerWaalsContact O-CB 3.24Å; E107-D110 WeakPolarHBondContact O-CB 3.44Å; E107-D110 PolarHBondContact O-N 3.24Å; E107-D110 VanDerWaalsContact O-N 3.1Å; W108-D110 PolarHBondContact O-N 2.87Å; D110-S112 VanDerWaalsContact C-N 3.31Å; D110-S112 PolarHBondContact O-N 3.45Å; D110-S112 WeakPolarHBondContact OD1-CA 3.46Å; D110-S112 VanDerWaalsContact OD1-CB 3.28Å; D110-S112 WeakPolarHBondContact OD1-CB 3.49Å; D110-S112 PolarHBondContact OD1-N 3.03Å; D110-S112 PolarHBondContact OD1-OG 3.42Å; D110-L113 HydrophobicContact CB-CB 4.04Å; D110-L113 PolarHBondContact O-N 3.47Å; D110-L113 PolarHBondContact OD1-N 2.95Å; D110-L113 VanDerWaalsContact OD1-N 3.15Å; D110-Q114 VanDerWaalsContact O-CG 3.29Å; D110-Q114 WeakPolarHBondContact O-CG 3.08Å; D110-Q114 PolarHBondContact O-N 3.01Å
111	K	92.4	Very high	93.4	Very high	190 Å²	190	45.4 Å²	45.4	83%	0.826	22%	0.223	S	C	*	.	H	α-helix	trans	-63.2	-35.7	-176.1	-69	180	-178.9	172.2	0	113.2	S109 A115	S109-K111 PolarHBondContact O-N 3.48Å; K111-A115 PolarHBondContact O-N 3.42Å; K111-A115 VanDerWaalsContact O-N 3.12Å
112	S	90.2	Very high	93.5	Very high	20 Å²	20	45.1 Å²	45.1	14%	0.14	22%	0.221	C	C	.	.	H	α-helix	trans	-70.3	-43.4	179.2	72.5	0	0	0	0	110.8	R106 D110 Q114 A115 D116	R106-S112 PolarHBondContact NH1-OG 2.94Å; R106-S112 VanDerWaalsContact NH1-OG 3.15Å; D110-S112 VanDerWaalsContact C-N 3.31Å; D110-S112 PolarHBondContact O-N 3.45Å; D110-S112 WeakPolarHBondContact OD1-CA 3.46Å; D110-S112 VanDerWaalsContact OD1-CB 3.28Å; D110-S112 WeakPolarHBondContact OD1-CB 3.49Å; D110-S112 PolarHBondContact OD1-N 3.03Å; D110-S112 PolarHBondContact OD1-OG 3.42Å; S112-Q114 VanDerWaalsContact C-N 3.34Å; S112-Q114 PolarHBondContact O-N 3.49Å; S112-A115 WeakPolarHBondContact O-CB 3.44Å; S112-A115 PolarHBondContact O-N 2.79Å; S112-A115 VanDerWaalsContact O-N 3.11Å; S112-D116 PolarHBondContact O-N 3.27Å
113	L	93.7	Very high	93.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-59	-44.4	172	175.4	72.9	0	0	0	111.8	M103 E107 W108 D110 A115 D116 R117 W120 P131	M103-L113 HydrophobicContact CB-CD1 4.36Å; M103-L113 HydrophobicContact CG-CD1 3.8Å; E107-L113 WeakPolarHBondContact O-CD2 3.46Å; W108-L113 HydrophobicContact CE3-CD2 4.29Å; D110-L113 HydrophobicContact CB-CB 4.04Å; D110-L113 PolarHBondContact O-N 3.47Å; D110-L113 PolarHBondContact OD1-N 2.95Å; D110-L113 VanDerWaalsContact OD1-N 3.15Å; L113-A115 PolarHBondContact O-N 3.01Å; L113-D116 PolarHBondContact O-N 3.38Å; L113-R117 WeakPolarHBondContact O-CB 3.25Å; L113-R117 PolarHBondContact O-N 3.34Å; L113-W120 HydrophobicContact CD1-CH2 4.15Å; L113-W120 HydrophobicContact CD1-CZ3 4.04Å; L113-P131 HydrophobicContact CD1-CB 3.97Å; L113-P131 HydrophobicContact CD1-CG 4.16Å; L113-P131 HydrophobicContact CD2-CB 3.79Å; L113-P131 HydrophobicContact CD2-CG 3.77Å; L113-P131 HydrophobicContact CG-CB 4.49Å
114	Q	96	Very high	93.8	Very high	44 Å²	44	50.6 Å²	50.6	21%	0.206	25%	0.246	C	C	.	.	H	α-helix	trans	-64.8	-26	178.1	-70.7	-64.3	-43.4	0	0	113.2	W108 D110 S112 K118	W108-Q114 PolarHBondContact O-NE2 3.44Å; D110-Q114 VanDerWaalsContact O-CG 3.29Å; D110-Q114 WeakPolarHBondContact O-CG 3.08Å; D110-Q114 PolarHBondContact O-N 3.01Å; S112-Q114 VanDerWaalsContact C-N 3.34Å; S112-Q114 PolarHBondContact O-N 3.49Å; Q114-K118 WeakPolarHBondContact O-CE 3.42Å
115	A	93.6	Very high	93.9	Very high	37 Å²	37	52.4 Å²	52.4	31%	0.306	26%	0.256	S	S	.	.	H	α-helix	trans	-77.6	-50.4	173.1	0	0	0	0	0	111	K111 S112 L113 R117 K118 M119	K111-A115 PolarHBondContact O-N 3.42Å; K111-A115 VanDerWaalsContact O-N 3.12Å; S112-A115 WeakPolarHBondContact O-CB 3.44Å; S112-A115 PolarHBondContact O-N 2.79Å; S112-A115 VanDerWaalsContact O-N 3.11Å; L113-A115 PolarHBondContact O-N 3.01Å; A115-R117 PolarHBondContact O-N 3.35Å; A115-K118 WeakPolarHBondContact O-CB 3.28Å; A115-K118 PolarHBondContact O-N 3.3Å; A115-M119 HydrophobicContact CB-CE 4.47Å; A115-M119 WeakPolarHBondContact O-CE 3.23Å
116	D	93.4	Very high	94.1	Very high	9 Å²	9	57.2 Å²	57.2	5%	0.048	28%	0.275	C	S	.	.	H	α-helix	trans	-62	-41.3	-177.1	-78.6	-8.3	0	0	0	113.2	R102 S112 L113 K118 M119 W120 H256	R102-D116 VanDerWaalsContact CD-OD2 3.32Å; R102-D116 WeakPolarHBondContact CD-OD2 3.37Å; R102-D116 IonicContact NH1-OD1 3.28Å; S112-D116 PolarHBondContact O-N 3.27Å; L113-D116 PolarHBondContact O-N 3.38Å; D116-K118 PolarHBondContact O-N 3Å; D116-M119 WeakPolarHBondContact O-CA 3.4Å; D116-M119 WeakPolarHBondContact O-CB 3.31Å; D116-M119 PolarHBondContact O-N 2.9Å; D116-W120 HydrophobicContact CB-CD2 4.34Å; D116-W120 HydrophobicContact CB-CE3 4.38Å; D116-W120 HydrophobicContact CB-CH2 3.4Å; D116-W120 VanDerWaalsContact CB-CH2 3.4Å; D116-W120 HydrophobicContact CB-CZ2 3.4Å; D116-W120 HydrophobicContact CB-CZ3 3.93Å; D116-W120 PolarHBondContact O-N 3.36Å; D116-H256 IonicContact OD1-CE1 3.11Å; D116-H256 PolarHBondContact OD1-CE1 3.48Å; D116-H256 IonicContact OD1-NE2 2.92Å; D116-H256 IonicContact OD2-CE1 3.79Å; D116-H256 PolarHBondContact OD2-CE1 3.08Å; D116-H256 IonicContact OD2-ND1 2.73Å; D116-H256 PolarHBondContact OD2-ND1 3.09Å
117	R	94.4	Very high	94.2	Very high	96 Å²	96	59.6 Å²	59.6	36%	0.362	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-17.1	-179	76	178.8	-172.2	113.4	-6.4	114.6	L113 A115 M119 W120 V124	L113-R117 WeakPolarHBondContact O-CB 3.25Å; L113-R117 PolarHBondContact O-N 3.34Å; A115-R117 PolarHBondContact O-N 3.35Å; R117-M119 VanDerWaalsContact C-N 3.29Å; R117-W120 VanDerWaalsContact CA-CE3 3.45Å; R117-W120 HydrophobicContact CB-CE3 4.03Å; R117-W120 HydrophobicContact CB-CZ3 4.11Å; R117-V124 HydrophobicContact CB-CB 4.5Å
118	K	92.8	Very high	94	Very high	165 Å²	165	61.8 Å²	61.8	72%	0.717	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-14	175.4	-61.6	173.9	-176.4	170.4	0	112.6	Q114 A115 D116	Q114-K118 WeakPolarHBondContact O-CE 3.42Å; A115-K118 WeakPolarHBondContact O-CB 3.28Å; A115-K118 PolarHBondContact O-N 3.3Å; D116-K118 PolarHBondContact O-N 3Å
119	M	90.9	Very high	93.8	Very high	68 Å²	68	61.3 Å²	61.3	34%	0.335	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-18.4	-173.8	-52.8	-172.2	-122	0	0	112.4	A115 D116 R117 Q264	A115-M119 HydrophobicContact CB-CE 4.47Å; A115-M119 WeakPolarHBondContact O-CE 3.23Å; D116-M119 WeakPolarHBondContact O-CA 3.4Å; D116-M119 WeakPolarHBondContact O-CB 3.31Å; D116-M119 PolarHBondContact O-N 2.9Å; R117-M119 VanDerWaalsContact C-N 3.29Å; M119-Q264 HydrophobicContact SD-CG 3.55Å; M119-Q264 VanDerWaalsContact SD-CG 3.55Å
120	W	95.6	Very high	93.8	Very high	21 Å²	21	58.2 Å²	58.2	8%	0.08	29%	0.294	C	S	.	.			trans	-77.1	142.8	174.8	-64.6	-40.4	0	0	0	112.4	F98 D99 R102 M103 L113 D116 R117 F122 V124	F98-W120 AromaticContact CE2-CD1 3.99Å; D99-W120 HydrophobicContact CB-CZ2 4.23Å; D99-W120 PolarHBondContact OD2-NE1 3.45Å; R102-W120 HydrophobicContact CB-CZ2 4.35Å; M103-W120 HydrophobicContact CG-CH2 3.32Å; M103-W120 HydrophobicContact CG-CZ2 4.17Å; M103-W120 HydrophobicContact CG-CZ3 3.67Å; M103-W120 HydrophobicContact SD-CE3 4.22Å; M103-W120 HydrophobicContact SD-CH2 3.82Å; M103-W120 HydrophobicContact SD-CZ3 3.57Å; M103-W120 VanDerWaalsContact SD-CZ3 3.57Å; L113-W120 HydrophobicContact CD1-CH2 4.15Å; L113-W120 HydrophobicContact CD1-CZ3 4.04Å; D116-W120 HydrophobicContact CB-CD2 4.34Å; D116-W120 HydrophobicContact CB-CE3 4.38Å; D116-W120 HydrophobicContact CB-CH2 3.4Å; D116-W120 VanDerWaalsContact CB-CH2 3.4Å; D116-W120 HydrophobicContact CB-CZ2 3.4Å; D116-W120 HydrophobicContact CB-CZ3 3.93Å; D116-W120 PolarHBondContact O-N 3.36Å; R117-W120 VanDerWaalsContact CA-CE3 3.45Å; R117-W120 HydrophobicContact CB-CE3 4.03Å; R117-W120 HydrophobicContact CB-CZ3 4.11Å; W120-F122 HydrophobicContact CB-CD1 4.2Å; W120-F122 HydrophobicContact CB-CD2 4.19Å; W120-F122 HydrophobicContact CB-CE1 3.85Å; W120-F122 HydrophobicContact CB-CE2 3.83Å; W120-F122 HydrophobicContact CB-CG 4.37Å; W120-F122 HydrophobicContact CB-CZ 3.66Å; W120-F122 AromaticContact CD1-CZ 3.73Å; W120-F122 AromaticContact CD2-CE2 3.84Å; W120-F122 HydrophobicContact CD2-CE2 3.84Å; W120-F122 AromaticContact CD2-CZ 3.65Å; W120-F122 HydrophobicContact CD2-CZ 3.65Å; W120-F122 AromaticContact CE3-CE2 3.86Å; W120-F122 HydrophobicContact CE3-CE2 3.86Å; W120-F122 HydrophobicContact CE3-CZ 4.15Å; W120-F122 AromaticContact CG-CE1 3.9Å; W120-F122 HydrophobicContact CG-CE1 3.9Å; W120-F122 AromaticContact CG-CE2 3.84Å; W120-F122 HydrophobicContact CG-CE2 3.84Å; W120-F122 AromaticContact CG-CZ 3.4Å; W120-F122 HydrophobicContact CG-CZ 3.4Å; W120-F122 VanDerWaalsContact CG-CZ 3.4Å; W120-V124 HydrophobicContact CE3-CG2 3.67Å; W120-V124 HydrophobicContact CZ3-CG2 3.99Å
121	P	96.3	Very high	94.1	Very high	11 Å²	11	56.2 Å²	56.2	7%	0.071	28%	0.283	C	S	.	.	S	Bend	trans	-79.5	-24	176.5	32	-34.9	0	0	0	113.3	P93 F98 N286 Q290	P93-P121 HydrophobicContact CB-CB 3.86Å; P93-P121 HydrophobicContact CB-CG 4.32Å; P93-P121 WeakPolarHBondContact O-CB 3.41Å; P93-P121 VanDerWaalsContact O-CG 3.23Å; P93-P121 WeakPolarHBondContact O-CG 3.44Å; F98-P121 HydrophobicContact CE1-CG 3.84Å; F98-P121 HydrophobicContact CZ-CG 4.13Å; P121-N286 HydrophobicContact CB-CB 4.41Å; P121-Q290 HydrophobicContact CB-CG 4.48Å; P121-Q290 HydrophobicContact CG-CG 4.39Å
122	F	97.2	Very high	94.3	Very high	6 Å²	6	47.9 Å²	47.9	3%	0.026	25%	0.247	C	C	.	.	S	Bend	trans	-85.8	155.1	177.5	52.3	-96	0	0	0	111.1	E94 T96 V97 F98 M103 W120 V124 V133	E94-F122 WeakPolarHBondContact O-CB 3.42Å; T96-F122 WeakPolarHBondContact O-CD1 3.35Å; V97-F122 HydrophobicContact CG1-CD2 4.5Å; V97-F122 HydrophobicContact CG1-CE1 4.36Å; V97-F122 HydrophobicContact CG1-CE2 4.24Å; V97-F122 HydrophobicContact CG1-CZ 4.16Å; F98-F122 HydrophobicContact CD1-CD1 4.42Å; F98-F122 AromaticContact CD1-CE1 3.88Å; F98-F122 HydrophobicContact CD1-CE1 3.88Å; F98-F122 HydrophobicContact CE1-CD1 4.23Å; F98-F122 AromaticContact CE1-CE1 3.84Å; F98-F122 HydrophobicContact CE1-CE1 3.84Å; F98-F122 HydrophobicContact CG-CE1 4.26Å; F98-F122 HydrophobicContact CZ-CE1 4.2Å; F98-F122 VanDerWaalsContact O-CZ 3.3Å; F98-F122 WeakPolarHBondContact O-CZ 3.45Å; M103-F122 HydrophobicContact CE-CE2 4.02Å; M103-F122 HydrophobicContact CE-CZ 4.34Å; M103-F122 HydrophobicContact SD-CE2 4.44Å; W120-F122 HydrophobicContact CB-CD1 4.2Å; W120-F122 HydrophobicContact CB-CD2 4.19Å; W120-F122 HydrophobicContact CB-CE1 3.85Å; W120-F122 HydrophobicContact CB-CE2 3.83Å; W120-F122 HydrophobicContact CB-CG 4.37Å; W120-F122 HydrophobicContact CB-CZ 3.66Å; W120-F122 AromaticContact CD1-CZ 3.73Å; W120-F122 AromaticContact CD2-CE2 3.84Å; W120-F122 HydrophobicContact CD2-CE2 3.84Å; W120-F122 AromaticContact CD2-CZ 3.65Å; W120-F122 HydrophobicContact CD2-CZ 3.65Å; W120-F122 AromaticContact CE3-CE2 3.86Å; W120-F122 HydrophobicContact CE3-CE2 3.86Å; W120-F122 HydrophobicContact CE3-CZ 4.15Å; W120-F122 AromaticContact CG-CE1 3.9Å; W120-F122 HydrophobicContact CG-CE1 3.9Å; W120-F122 AromaticContact CG-CE2 3.84Å; W120-F122 HydrophobicContact CG-CE2 3.84Å; W120-F122 AromaticContact CG-CZ 3.4Å; W120-F122 HydrophobicContact CG-CZ 3.4Å; W120-F122 VanDerWaalsContact CG-CZ 3.4Å; F122-V124 HydrophobicContact CD2-CG2 3.91Å; F122-V124 HydrophobicContact CE2-CG2 3.8Å; F122-V133 HydrophobicContact CB-CG1 4.35Å; F122-V133 HydrophobicContact CD2-CG1 3.72Å; F122-V133 HydrophobicContact CD2-CG2 4.46Å; F122-V133 HydrophobicContact CE2-CG1 4.43Å; F122-V133 HydrophobicContact CE2-CG2 4.42Å; F122-V133 HydrophobicContact CG-CG1 4.29Å
123	K	97.3	Very high	94.7	Very high	106 Å²	106	47 Å²	47	46%	0.461	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	125.4	-176	-173.4	-176.1	174.6	-155.2	0	110.5	I125 V133 E134	K123-I125 HydrophobicContact CD-CG2 4.12Å; K123-I125 HydrophobicContact CG-CG2 4.02Å; K123-V133 WeakPolarHBondContact O-CA 3.36Å; K123-E134 HydrophobicContact CB-CB 4.4Å; K123-E134 HydrophobicContact CD-CB 4.26Å; K123-E134 IonicContact NZ-OE1 3.19Å; K123-E134 PolarHBondContact NZ-OE1 3.16Å; K123-E134 IonicContact NZ-OE2 2.77Å; K123-E134 PolarHBondContact NZ-OE2 3.05Å; K123-E134 PolarHBondContact O-N 2.96Å
124	V	97.8	Very high	94.9	Very high	14 Å²	14	48.5 Å²	48.5	9%	0.085	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	127.5	170.1	-167.1	0	0	0	0	109.2	M103 W108 R117 W120 F122 P131 H132	M103-V124 HydrophobicContact SD-CG1 4.15Å; M103-V124 HydrophobicContact SD-CG2 3.97Å; W108-V124 WeakPolarHBondContact CH2-O 3.31Å; W108-V124 HydrophobicContact CZ3-CG1 4.04Å; R117-V124 HydrophobicContact CB-CB 4.5Å; W120-V124 HydrophobicContact CE3-CG2 3.67Å; W120-V124 HydrophobicContact CZ3-CG2 3.99Å; F122-V124 HydrophobicContact CD2-CG2 3.91Å; F122-V124 HydrophobicContact CE2-CG2 3.8Å; V124-P131 HydrophobicContact CG1-CB 3.69Å; V124-H132 CarbonylContact C-O 3.58Å; V124-H132 VanDerWaalsContact CA-O 3.32Å; V124-H132 WeakPolarHBondContact CA-O 3.33Å; V124-H132 WeakPolarHBondContact CG1-O 3.06Å
125	I	97.2	Very high	94.9	Very high	39 Å²	39	46.5 Å²	46.5	20%	0.2	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	162.2	-178.8	64.1	169.9	0	0	0	111.1	W108 K123 P131 H132 E134 T143	W108-I125 VanDerWaalsContact CZ3-C 3.45Å; K123-I125 HydrophobicContact CD-CG2 4.12Å; K123-I125 HydrophobicContact CG-CG2 4.02Å; I125-P131 WeakPolarHBondContact O-CA 3.46Å; I125-H132 HydrophobicContact CG1-CB 4.21Å; I125-H132 PolarHBondContact N-O 3.21Å; I125-H132 PolarHBondContact O-N 2.86Å; I125-E134 HydrophobicContact CD1-CB 4.45Å; I125-E134 HydrophobicContact CG2-CB 4.41Å; I125-T143 HydrophobicContact CD1-CG2 3.61Å
126	E	96.6	Very high	95.1	Very high	111 Å²	111	47.1 Å²	47.1	52%	0.519	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	130.1	172	-174	175.5	-168.1	0	0	110.2	W108	W108-E126 HydrophobicContact CB-CG 3.96Å; W108-E126 HydrophobicContact CD2-CB 3.65Å; W108-E126 HydrophobicContact CD2-CG 4.03Å; W108-E126 HydrophobicContact CE3-CB 4.1Å; W108-E126 HydrophobicContact CG-CB 3.84Å; W108-E126 HydrophobicContact CG-CG 3.64Å; W108-E126 HydrophobicContact CZ2-CB 4.16Å; W108-E126 PolarHBondContact NE1-OE2 3.12Å
127	Q	93.3	Very high	95	Very high	77 Å²	77	47.4 Å²	47.4	36%	0.36	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	120.6	168.3	-177.7	171.4	-22.1	0	0	108.5	G129 K130 H132	Q127-G129 PolarHBondContact O-N 3.41Å; Q127-K130 PolarHBondContact N-O 2.86Å; Q127-K130 PolarHBondContact O-N 3.14Å; Q127-H132 HydrophobicContact CB-CB 4.47Å
128	S	88	Confident	94.7	Very high	114 Å²	114	43.8 Å²	43.8	80%	0.797	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	51	40.1	-176.1	-56	0	0	0	0	113.8	K130	S128-K130 VanDerWaalsContact C-N 3.28Å; S128-K130 PolarHBondContact O-N 2.89Å
129	G	90.3	Very high	94.5	Very high	30 Å²	30	46.1 Å²	46.1	31%	0.309	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	4.5	-179.6	0	0	0	0	0	115.3	W108 Q127	W108-G129 VanDerWaalsContact CB-O 3.23Å; W108-G129 WeakPolarHBondContact CB-O 3.39Å; W108-G129 PolarHBondContact N-O 2.77Å; Q127-G129 PolarHBondContact O-N 3.41Å
130	K	92.2	Very high	94.6	Very high	21 Å²	21	48.9 Å²	48.9	9%	0.091	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	151.4	-179.8	-64.2	179.4	-175.3	178.3	0	112.6	Q127 S128 H132 H534 N535 R536	Q127-K130 PolarHBondContact N-O 2.86Å; Q127-K130 PolarHBondContact O-N 3.14Å; S128-K130 VanDerWaalsContact C-N 3.28Å; S128-K130 PolarHBondContact O-N 2.89Å; K130-H132 PolarHBondContact O-ND1 3.49Å; K130-H534 WeakPolarHBondContact CE-O 3.34Å; K130-N535 WeakPolarHBondContact CE-O 3.45Å; K130-N535 PolarHBondContact NZ-O 2.8Å; K130-R536 PolarHBondContact NZ-O 3.38Å
131	P	96.5	Very high	94.6	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.006	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	132.5	169	27.8	-31.7	0	0	0	111.2	M103 R106 W108 L113 V124 I125 P146	M103-P131 HydrophobicContact CB-CG 4.38Å; R106-P131 WeakPolarHBondContact O-CD 3.25Å; W108-P131 HydrophobicContact CE3-CB 4.37Å; L113-P131 HydrophobicContact CD1-CB 3.97Å; L113-P131 HydrophobicContact CD1-CG 4.16Å; L113-P131 HydrophobicContact CD2-CB 3.79Å; L113-P131 HydrophobicContact CD2-CG 3.77Å; L113-P131 HydrophobicContact CG-CB 4.49Å; V124-P131 HydrophobicContact CG1-CB 3.69Å; I125-P131 WeakPolarHBondContact O-CA 3.46Å; P131-P146 HydrophobicContact CG-CG 4.32Å; P131-P146 VanDerWaalsContact O-CD 3.24Å; P131-P146 WeakPolarHBondContact O-CD 3.45Å
132	H	97.5	Very high	94.5	Very high	16 Å²	16	56.5 Å²	56.5	7%	0.074	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	148.6	165.5	-73.4	60.5	0	0	0	109.1	V124 I125 Q127 K130 F144	V124-H132 CarbonylContact C-O 3.58Å; V124-H132 VanDerWaalsContact CA-O 3.32Å; V124-H132 WeakPolarHBondContact CA-O 3.33Å; V124-H132 WeakPolarHBondContact CG1-O 3.06Å; I125-H132 HydrophobicContact CG1-CB 4.21Å; I125-H132 PolarHBondContact N-O 3.21Å; I125-H132 PolarHBondContact O-N 2.86Å; Q127-H132 HydrophobicContact CB-CB 4.47Å; K130-H132 PolarHBondContact O-ND1 3.49Å; H132-F144 CarbonylContact C-O 3.33Å; H132-F144 WeakPolarHBondContact CA-O 3.35Å
133	V	97.8	Very high	94.5	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	123.8	177.6	-171.6	0	0	0	0	109.3	V97 M103 F122 K123 V135 T143 F144	V97-V133 HydrophobicContact CG1-CG1 4.22Å; V97-V133 HydrophobicContact CG1-CG2 4.13Å; V97-V133 HydrophobicContact CG2-CG1 3.75Å; M103-V133 HydrophobicContact CE-CG2 3.69Å; M103-V133 HydrophobicContact SD-CG2 4.07Å; F122-V133 HydrophobicContact CB-CG1 4.35Å; F122-V133 HydrophobicContact CD2-CG1 3.72Å; F122-V133 HydrophobicContact CD2-CG2 4.46Å; F122-V133 HydrophobicContact CE2-CG1 4.43Å; F122-V133 HydrophobicContact CE2-CG2 4.42Å; F122-V133 HydrophobicContact CG-CG1 4.29Å; K123-V133 WeakPolarHBondContact O-CA 3.36Å; V133-V135 HydrophobicContact CG1-CG1 3.95Å; V133-T143 CarbonylContact O-C 3.56Å; V133-T143 VanDerWaalsContact O-CA 3.31Å; V133-T143 WeakPolarHBondContact O-CA 3.41Å; V133-F144 PolarHBondContact N-O 2.84Å; V133-F144 PolarHBondContact O-N 3.49Å
134	E	97.9	Very high	94.4	Very high	33 Å²	33	54.2 Å²	54.2	15%	0.154	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	119.9	172.7	-177.9	-172.9	115.3	0	0	109.3	K123 I125 K141 K142 T143	K123-E134 HydrophobicContact CB-CB 4.4Å; K123-E134 HydrophobicContact CD-CB 4.26Å; K123-E134 IonicContact NZ-OE1 3.19Å; K123-E134 PolarHBondContact NZ-OE1 3.16Å; K123-E134 IonicContact NZ-OE2 2.77Å; K123-E134 PolarHBondContact NZ-OE2 3.05Å; K123-E134 PolarHBondContact O-N 2.96Å; I125-E134 HydrophobicContact CD1-CB 4.45Å; I125-E134 HydrophobicContact CG2-CB 4.41Å; E134-K141 IonicContact OE1-NZ 2.69Å; E134-K141 PolarHBondContact OE1-NZ 2.73Å; E134-K142 WeakPolarHBondContact CA-O 3.28Å; E134-T143 HydrophobicContact CB-CG2 4.42Å
135	V	97.2	Very high	94.4	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.012	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	160.7	176.8	-63.7	0	0	0	0	110.6	F73 V97 V133 V137 K141 K142 F144	F73-V135 HydrophobicContact CD2-CB 4.18Å; F73-V135 HydrophobicContact CD2-CG1 4.48Å; F73-V135 HydrophobicContact CD2-CG2 3.62Å; F73-V135 HydrophobicContact CE2-CG2 3.77Å; F73-V135 HydrophobicContact CG-CG2 4.42Å; V97-V135 HydrophobicContact CG2-CG1 3.83Å; V133-V135 HydrophobicContact CG1-CG1 3.95Å; V135-V137 HydrophobicContact CG2-CG2 4.09Å; V135-K141 WeakPolarHBondContact O-CA 3.34Å; V135-K142 PolarHBondContact N-O 2.87Å; V135-K142 PolarHBondContact O-N 2.75Å; V135-F144 HydrophobicContact CG2-CD2 3.71Å; V135-F144 HydrophobicContact CG2-CE2 3.58Å
136	T	96.6	Very high	94.4	Very high	50 Å²	50	51.9 Å²	51.9	31%	0.307	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	117.8	171.8	-52.3	0	0	0	0	109.2	N95 G138 E140	N95-T136 PolarHBondContact OD1-N 3.44Å; T136-G138 WeakPolarHBondContact CG2-O 3.19Å; T136-E140 CarbonylContact C-O 3.56Å; T136-E140 WeakPolarHBondContact CA-O 3.45Å
137	V	91.6	Very high	94.4	Very high	14 Å²	14	46.9 Å²	46.9	9%	0.085	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	103	174.6	-173.8	0	0	0	0	107.7	F73 V135 K139 E140 K142 F144 F552	F73-V137 HydrophobicContact CB-CG2 4.11Å; F73-V137 HydrophobicContact CD1-CB 4.33Å; F73-V137 HydrophobicContact CD1-CG1 3.94Å; F73-V137 HydrophobicContact CD1-CG2 3.57Å; F73-V137 HydrophobicContact CD2-CG2 4.26Å; F73-V137 HydrophobicContact CE1-CG2 3.97Å; F73-V137 HydrophobicContact CG-CG2 3.71Å; F73-V137 HydrophobicContact CZ-CG2 4.48Å; V135-V137 HydrophobicContact CG2-CG2 4.09Å; V137-K139 PolarHBondContact O-N 3.31Å; V137-K139 VanDerWaalsContact O-N 3.08Å; V137-E140 PolarHBondContact N-O 3.24Å; V137-E140 PolarHBondContact O-N 3.12Å; V137-E140 VanDerWaalsContact O-N 3.1Å; V137-K142 HydrophobicContact CB-CD 4.18Å; V137-K142 HydrophobicContact CB-CG 4.45Å; V137-K142 HydrophobicContact CG2-CB 4.15Å; V137-K142 HydrophobicContact CG2-CD 3.95Å; V137-K142 HydrophobicContact CG2-CG 4.17Å; V137-F144 HydrophobicContact CG2-CE2 4.15Å; V137-F144 HydrophobicContact CG2-CZ 4.44Å; V137-F552 HydrophobicContact CG1-CE1 4.32Å
138	G	88.4	Confident	94.6	Very high	20 Å²	20	44 Å²	44	21%	0.206	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	-108.7	-171.4	0	0	0	0	0	111.2	P75 T136	P75-G138 WeakPolarHBondContact O-CA 3.16Å; T136-G138 WeakPolarHBondContact CG2-O 3.19Å
139	K	88.1	Confident	95.1	Very high	214 Å²	214	38.7 Å²	38.7	93%	0.93	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.1	-6.4	177.5	-61.7	-177.8	-177	174.6	0	113.7	V137	V137-K139 PolarHBondContact O-N 3.31Å; V137-K139 VanDerWaalsContact O-N 3.08Å
140	E	92.6	Very high	95.5	Very high	127 Å²	127	37.5 Å²	37.5	59%	0.593	18%	0.184	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	138	-173.9	-66	-176.9	172.6	0	0	110.8	T136 V137	T136-E140 CarbonylContact C-O 3.56Å; T136-E140 WeakPolarHBondContact CA-O 3.45Å; V137-E140 PolarHBondContact N-O 3.24Å; V137-E140 PolarHBondContact O-N 3.12Å; V137-E140 VanDerWaalsContact O-N 3.1Å
141	K	95.3	Very high	95.8	Very high	145 Å²	145	36.7 Å²	36.7	63%	0.63	18%	0.18	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	127.5	167.3	-71.8	-170.8	166.3	-152.5	0	109.2	E134 V135	E134-K141 IonicContact OE1-NZ 2.69Å; E134-K141 PolarHBondContact OE1-NZ 2.73Å; V135-K141 WeakPolarHBondContact O-CA 3.34Å
142	K	94.7	Very high	95.9	Very high	47 Å²	47	37 Å²	37	20%	0.204	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	151.5	174.4	-65.4	-168.3	-179.5	-180	0	110.6	E134 V135 V137 F144 F552	E134-K142 WeakPolarHBondContact CA-O 3.28Å; V135-K142 PolarHBondContact N-O 2.87Å; V135-K142 PolarHBondContact O-N 2.75Å; V137-K142 HydrophobicContact CB-CD 4.18Å; V137-K142 HydrophobicContact CB-CG 4.45Å; V137-K142 HydrophobicContact CG2-CB 4.15Å; V137-K142 HydrophobicContact CG2-CD 3.95Å; V137-K142 HydrophobicContact CG2-CG 4.17Å; K142-F144 HydrophobicContact CB-CE2 3.86Å; K142-F144 HydrophobicContact CB-CZ 4.04Å; K142-F144 HydrophobicContact CD-CZ 4.06Å; K142-F552 HydrophobicContact CD-CZ 4.28Å
143	T	96.6	Very high	96	Very high	58 Å²	58	36.5 Å²	36.5	36%	0.356	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	125.4	178	51.3	0	0	0	0	108	I125 V133 E134	I125-T143 HydrophobicContact CD1-CG2 3.61Å; V133-T143 CarbonylContact O-C 3.56Å; V133-T143 VanDerWaalsContact O-CA 3.31Å; V133-T143 WeakPolarHBondContact O-CA 3.41Å; E134-T143 HydrophobicContact CB-CG2 4.42Å
144	F	97	Very high	96	Very high	6 Å²	6	36.5 Å²	36.5	3%	0.026	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	139.3	178.6	-65.2	-73.3	0	0	0	110.7	F73 H132 V133 V135 V137 K142 E148 I149 M152 F552	F73-F144 HydrophobicContact CE1-CE2 4.2Å; F73-F144 HydrophobicContact CE1-CZ 4.23Å; F73-F144 HydrophobicContact CE2-CD2 4.14Å; F73-F144 AromaticContact CE2-CE2 3.71Å; F73-F144 HydrophobicContact CE2-CE2 3.71Å; F73-F144 HydrophobicContact CE2-CZ 4.47Å; F73-F144 HydrophobicContact CZ-CD2 4.17Å; F73-F144 AromaticContact CZ-CE2 3.48Å; F73-F144 HydrophobicContact CZ-CE2 3.48Å; F73-F144 VanDerWaalsContact CZ-CE2 3.48Å; F73-F144 AromaticContact CZ-CZ 3.78Å; F73-F144 HydrophobicContact CZ-CZ 3.78Å; H132-F144 CarbonylContact C-O 3.33Å; H132-F144 WeakPolarHBondContact CA-O 3.35Å; V133-F144 PolarHBondContact N-O 2.84Å; V133-F144 PolarHBondContact O-N 3.49Å; V135-F144 HydrophobicContact CG2-CD2 3.71Å; V135-F144 HydrophobicContact CG2-CE2 3.58Å; V137-F144 HydrophobicContact CG2-CE2 4.15Å; V137-F144 HydrophobicContact CG2-CZ 4.44Å; K142-F144 HydrophobicContact CB-CE2 3.86Å; K142-F144 HydrophobicContact CB-CZ 4.04Å; K142-F144 HydrophobicContact CD-CZ 4.06Å; F144-E148 WeakPolarHBondContact CA-OE2 3.33Å; F144-E148 HydrophobicContact CB-CB 4.3Å; F144-E148 HydrophobicContact CD1-CB 4.19Å; F144-I149 HydrophobicContact CB-CD1 3.73Å; F144-I149 HydrophobicContact CB-CG1 4Å; F144-I149 HydrophobicContact CD2-CD1 4.23Å; F144-I149 HydrophobicContact CG-CD1 4.1Å; F144-M152 HydrophobicContact CD1-CE 3.85Å; F144-M152 HydrophobicContact CE1-CE 3.8Å; F144-M152 HydrophobicContact CG-CE 4.35Å; F144-M152 HydrophobicContact CZ-CE 4.25Å; F144-F552 AromaticContact CE1-CE2 3.84Å; F144-F552 HydrophobicContact CE1-CE2 3.84Å; F144-F552 HydrophobicContact CE1-CZ 4.16Å; F144-F552 AromaticContact CZ-CE2 3.92Å; F144-F552 HydrophobicContact CZ-CE2 3.92Å; F144-F552 AromaticContact CZ-CZ 3.75Å; F144-F552 HydrophobicContact CZ-CZ 3.75Å
145	S	97	Very high	96	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.178	C	C	.	.			trans	-72.2	157.7	168.2	92.4	0	0	0	0	110.6	E147 E148 I149	S145-E147 WeakPolarHBondContact CB-OE2 3.2Å; S145-E147 PolarHBondContact O-N 3Å; S145-E147 PolarHBondContact OG-N 3.16Å; S145-E147 PolarHBondContact OG-OE2 3.3Å; S145-E148 PolarHBondContact N-OE2 2.73Å; S145-E148 PolarHBondContact O-N 2.71Å; S145-E148 VanDerWaalsContact O-N 3.15Å; S145-E148 PolarHBondContact OG-N 2.97Å; S145-I149 PolarHBondContact O-N 3.24Å; S145-I149 VanDerWaalsContact O-N 3.16Å
146	P	97.3	Very high	96	Very high	4 Å²	4	37 Å²	37	3%	0.026	18%	0.183	C	C	.	.	H	α-helix	trans	-58.1	-30.9	173.9	-26.2	35.9	0	0	0	113.4	M103 I104 P131 S150	M103-P146 HydrophobicContact CB-CB 4.03Å; M103-P146 HydrophobicContact CB-CG 3.7Å; I104-P146 HydrophobicContact CB-CB 4.07Å; I104-P146 HydrophobicContact CG1-CB 4.32Å; P131-P146 HydrophobicContact CG-CG 4.32Å; P131-P146 VanDerWaalsContact O-CD 3.24Å; P131-P146 WeakPolarHBondContact O-CD 3.45Å; P146-S150 VanDerWaalsContact O-CB 3.3Å; P146-S150 WeakPolarHBondContact O-CB 3.39Å; P146-S150 PolarHBondContact O-N 3.34Å; P146-S150 PolarHBondContact O-OG 3.3Å
147	E	97.4	Very high	96.1	Very high	6 Å²	6	34.7 Å²	34.7	3%	0.028	17%	0.169	C	C	.	.	H	α-helix	trans	-64.2	-44.4	174.3	-58.1	86.1	166.2	0	0	111.2	I104 S145 S150 A151 A187 A191 I194 L537	I104-E147 HydrophobicContact CG1-CG 4.36Å; S145-E147 WeakPolarHBondContact CB-OE2 3.2Å; S145-E147 PolarHBondContact O-N 3Å; S145-E147 PolarHBondContact OG-N 3.16Å; S145-E147 PolarHBondContact OG-OE2 3.3Å; E147-S150 PolarHBondContact O-N 3.1Å; E147-A151 VanDerWaalsContact O-CB 3.26Å; E147-A151 WeakPolarHBondContact O-CB 3.44Å; E147-A151 PolarHBondContact O-N 2.81Å; E147-A187 HydrophobicContact CG-CB 3.85Å; E147-A187 WeakPolarHBondContact CG-O 3.34Å; E147-A191 HydrophobicContact CB-CB 4.26Å; E147-A191 WeakPolarHBondContact O-CB 3.36Å; E147-I194 HydrophobicContact CB-CD1 4.02Å; E147-L537 HydrophobicContact CB-CD1 3.93Å; E147-L537 HydrophobicContact CG-CD1 3.97Å
148	E	97.6	Very high	96.4	Very high	16 Å²	16	35.3 Å²	35.3	8%	0.075	17%	0.17	C	C	.	.	H	α-helix	trans	-62.8	-45	175.7	-67.5	176.2	97.5	0	0	111.7	F144 S145 S150 A151 M152 I194 M545	F144-E148 WeakPolarHBondContact CA-OE2 3.33Å; F144-E148 HydrophobicContact CB-CB 4.3Å; F144-E148 HydrophobicContact CD1-CB 4.19Å; S145-E148 PolarHBondContact N-OE2 2.73Å; S145-E148 PolarHBondContact O-N 2.71Å; S145-E148 VanDerWaalsContact O-N 3.15Å; S145-E148 PolarHBondContact OG-N 2.97Å; E148-S150 VanDerWaalsContact C-N 3.32Å; E148-S150 PolarHBondContact O-N 3.37Å; E148-A151 WeakPolarHBondContact O-CB 3.27Å; E148-A151 PolarHBondContact O-N 3.4Å; E148-M152 WeakPolarHBondContact O-CG 3.38Å; E148-M152 PolarHBondContact O-N 3.41Å; E148-I194 HydrophobicContact CG-CD1 4.47Å; E148-M545 HydrophobicContact CG-CB 4.15Å; E148-M545 HydrophobicContact CG-CE 3.97Å; E148-M545 HydrophobicContact CG-CG 3.73Å; E148-M545 HydrophobicContact CG-SD 3.58Å; E148-M545 VanDerWaalsContact CG-SD 3.58Å
149	I	98.3	Very high	96.8	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.015	18%	0.175	C	C	.	.	H	α-helix	trans	-62	-42.4	176.8	-60.4	-61.7	0	0	0	110.9	V71 V97 A100 F144 S145 A151 M152 V153	V71-I149 HydrophobicContact CB-CG2 4.35Å; V71-I149 HydrophobicContact CG2-CG2 4Å; V97-I149 HydrophobicContact CB-CG2 4.34Å; V97-I149 HydrophobicContact CG1-CG1 4.35Å; V97-I149 HydrophobicContact CG1-CG2 3.95Å; V97-I149 HydrophobicContact CG2-CD1 4.37Å; A100-I149 HydrophobicContact CB-CB 4.13Å; A100-I149 HydrophobicContact CB-CG2 3.65Å; F144-I149 HydrophobicContact CB-CD1 3.73Å; F144-I149 HydrophobicContact CB-CG1 4Å; F144-I149 HydrophobicContact CD2-CD1 4.23Å; F144-I149 HydrophobicContact CG-CD1 4.1Å; S145-I149 PolarHBondContact O-N 3.24Å; S145-I149 VanDerWaalsContact O-N 3.16Å; I149-A151 VanDerWaalsContact C-N 3.34Å; I149-M152 HydrophobicContact CD1-CE 4.44Å; I149-M152 HydrophobicContact CD1-SD 4.4Å; I149-M152 WeakPolarHBondContact O-CB 3.38Å; I149-M152 PolarHBondContact O-N 3.47Å; I149-V153 PolarHBondContact O-N 3.08Å
150	S	98.4	Very high	97.3	Very high	5 Å²	5	27.8 Å²	27.8	4%	0.035	13%	0.134	C	C	.	.	H	α-helix	trans	-68.5	-34.8	177.7	-58.3	0	0	0	0	111.8	P146 E147 E148 M152 V153 L154	P146-S150 VanDerWaalsContact O-CB 3.3Å; P146-S150 WeakPolarHBondContact O-CB 3.39Å; P146-S150 PolarHBondContact O-N 3.34Å; P146-S150 PolarHBondContact O-OG 3.3Å; E147-S150 PolarHBondContact O-N 3.1Å; E148-S150 VanDerWaalsContact C-N 3.32Å; E148-S150 PolarHBondContact O-N 3.37Å; S150-M152 VanDerWaalsContact C-N 3.31Å; S150-M152 PolarHBondContact O-N 2.98Å; S150-V153 PolarHBondContact O-N 3.49Å; S150-L154 WeakPolarHBondContact O-CG 3.42Å; S150-L154 PolarHBondContact O-N 2.61Å
151	A	98.4	Very high	97.6	Very high	3 Å²	3	21.7 Å²	21.7	3%	0.025	11%	0.105	C	C	.	.	H	α-helix	trans	-62.4	-37.7	174	0	0	0	0	0	111.6	E147 E148 I149 V153 L154 T155 A191 I194 A195	E147-A151 VanDerWaalsContact O-CB 3.26Å; E147-A151 WeakPolarHBondContact O-CB 3.44Å; E147-A151 PolarHBondContact O-N 2.81Å; E148-A151 WeakPolarHBondContact O-CB 3.27Å; E148-A151 PolarHBondContact O-N 3.4Å; I149-A151 VanDerWaalsContact C-N 3.34Å; A151-V153 VanDerWaalsContact C-N 3.34Å; A151-V153 PolarHBondContact O-N 3.48Å; A151-L154 PolarHBondContact O-N 2.86Å; A151-T155 WeakPolarHBondContact O-CB 3.48Å; A151-T155 PolarHBondContact O-N 2.77Å; A151-T155 PolarHBondContact O-OG1 3.26Å; A151-A191 HydrophobicContact CB-CB 4.49Å; A151-A191 WeakPolarHBondContact CB-O 3.5Å; A151-I194 HydrophobicContact CB-CB 3.65Å; A151-I194 HydrophobicContact CB-CG2 3.49Å; A151-I194 VanDerWaalsContact CB-CG2 3.49Å; A151-A195 HydrophobicContact CB-CB 4.27Å; A151-A195 WeakPolarHBondContact O-CB 3.4Å
152	M	98.3	Very high	97.7	Very high	9 Å²	9	17 Å²	17	4%	0.044	9%	0.085	C	C	.	.	H	α-helix	trans	-60.9	-43.4	173.8	-62.5	173.6	-161.5	0	0	111.4	V71 F73 I81 F144 E148 I149 S150 T155 K156	V71-M152 HydrophobicContact CG1-SD 3.61Å; V71-M152 HydrophobicContact CG2-CB 3.94Å; V71-M152 HydrophobicContact CG2-SD 4.5Å; F73-M152 HydrophobicContact CZ-CE 4.07Å; F73-M152 HydrophobicContact CZ-SD 3.97Å; I81-M152 HydrophobicContact CD1-CB 4.02Å; I81-M152 HydrophobicContact CG1-CB 4.45Å; F144-M152 HydrophobicContact CD1-CE 3.85Å; F144-M152 HydrophobicContact CE1-CE 3.8Å; F144-M152 HydrophobicContact CG-CE 4.35Å; F144-M152 HydrophobicContact CZ-CE 4.25Å; E148-M152 WeakPolarHBondContact O-CG 3.38Å; E148-M152 PolarHBondContact O-N 3.41Å; I149-M152 HydrophobicContact CD1-CE 4.44Å; I149-M152 HydrophobicContact CD1-SD 4.4Å; I149-M152 WeakPolarHBondContact O-CB 3.38Å; I149-M152 PolarHBondContact O-N 3.47Å; S150-M152 VanDerWaalsContact C-N 3.31Å; S150-M152 PolarHBondContact O-N 2.98Å; M152-T155 PolarHBondContact O-N 2.86Å; M152-K156 PolarHBondContact O-N 3.33Å
153	V	98.6	Very high	97.7	Very high	4 Å²	4	18.8 Å²	18.8	2%	0.024	11%	0.109	C	C	.	.	H	α-helix	trans	-63.3	-44.4	174.9	-179.4	0	0	0	0	111.1	L40 S45 V71 I149 S150 A151 T155 K156 M157	L40-V153 HydrophobicContact CD1-CB 4.15Å; L40-V153 HydrophobicContact CD1-CG1 3.84Å; S45-V153 WeakPolarHBondContact OG-CG1 3.49Å; V71-V153 HydrophobicContact CG2-CG2 3.97Å; I149-V153 PolarHBondContact O-N 3.08Å; S150-V153 PolarHBondContact O-N 3.49Å; A151-V153 VanDerWaalsContact C-N 3.34Å; A151-V153 PolarHBondContact O-N 3.48Å; V153-T155 VanDerWaalsContact C-N 3.35Å; V153-T155 PolarHBondContact O-N 3.22Å; V153-K156 WeakPolarHBondContact O-CB 3.43Å; V153-K156 PolarHBondContact O-N 2.71Å; V153-M157 WeakPolarHBondContact O-CG 3.32Å; V153-M157 PolarHBondContact O-N 3.1Å; V153-M157 VanDerWaalsContact O-N 3.08Å
154	L	98.7	Very high	97.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-62.4	-39.2	176.1	-70.7	175.4	0	0	0	112.5	I38 L40 S150 A151 K156 M157 K158 V174 A191 A195	I38-L154 HydrophobicContact CB-CD2 4.41Å; I38-L154 HydrophobicContact CD1-CD2 4.08Å; I38-L154 HydrophobicContact CG2-CD2 3.75Å; L40-L154 HydrophobicContact CB-CD2 4.19Å; L40-L154 HydrophobicContact CD1-CD2 4.12Å; L40-L154 HydrophobicContact CD1-CG 4.27Å; L40-L154 HydrophobicContact CD2-CD1 4.25Å; L40-L154 HydrophobicContact CD2-CD2 4.16Å; L40-L154 HydrophobicContact CD2-CG 4.19Å; L40-L154 HydrophobicContact CG-CD2 4.38Å; S150-L154 WeakPolarHBondContact O-CG 3.42Å; S150-L154 PolarHBondContact O-N 2.61Å; A151-L154 PolarHBondContact O-N 2.86Å; L154-K156 VanDerWaalsContact C-N 3.33Å; L154-K156 PolarHBondContact O-N 2.69Å; L154-M157 PolarHBondContact O-N 3.14Å; L154-M157 VanDerWaalsContact O-N 3.16Å; L154-K158 WeakPolarHBondContact O-CB 3.06Å; L154-K158 PolarHBondContact O-N 3.49Å; L154-V174 HydrophobicContact CD2-CG1 4.24Å; L154-V174 HydrophobicContact CD2-CG2 4.5Å; L154-A191 HydrophobicContact CD1-CB 4.12Å; L154-A195 HydrophobicContact CB-CB 3.75Å
155	T	97.9	Very high	97.7	Very high	19 Å²	19	22.3 Å²	22.3	12%	0.117	12%	0.119	C	C	.	.	H	α-helix	trans	-59.4	-44.7	173.2	-65.3	0	0	0	0	110.5	A151 M152 V153 M157 K158 E159	A151-T155 WeakPolarHBondContact O-CB 3.48Å; A151-T155 PolarHBondContact O-N 2.77Å; A151-T155 PolarHBondContact O-OG1 3.26Å; M152-T155 PolarHBondContact O-N 2.86Å; V153-T155 VanDerWaalsContact C-N 3.35Å; V153-T155 PolarHBondContact O-N 3.22Å; T155-M157 VanDerWaalsContact C-N 3.28Å; T155-M157 PolarHBondContact O-N 3.3Å; T155-K158 WeakPolarHBondContact O-CB 3.3Å; T155-K158 PolarHBondContact O-N 3.42Å; T155-E159 HydrophobicContact CG2-CG 4.36Å; T155-E159 WeakPolarHBondContact O-CG 3.43Å; T155-E159 PolarHBondContact O-N 2.94Å
156	K	98	Very high	97.6	Very high	28 Å²	28	25.8 Å²	25.8	12%	0.122	15%	0.154	C	C	.	.	H	α-helix	trans	-61.6	-36.4	175.7	-177.1	59.2	177.7	-178.5	0	112.7	D61 T67 I81 M152 V153 L154 T160	D61-K156 IonicContact OD2-NZ 2.88Å; D61-K156 PolarHBondContact OD2-NZ 3.01Å; T67-K156 HydrophobicContact CG2-CG 4.4Å; I81-K156 HydrophobicContact CB-CB 4.24Å; I81-K156 HydrophobicContact CB-CG 4.39Å; I81-K156 HydrophobicContact CD1-CB 4.5Å; I81-K156 HydrophobicContact CG2-CB 3.63Å; I81-K156 HydrophobicContact CG2-CG 4Å; M152-K156 PolarHBondContact O-N 3.33Å; V153-K156 WeakPolarHBondContact O-CB 3.43Å; V153-K156 PolarHBondContact O-N 2.71Å; L154-K156 VanDerWaalsContact C-N 3.33Å; L154-K156 PolarHBondContact O-N 2.69Å; K156-T160 WeakPolarHBondContact O-CB 2.96Å; K156-T160 PolarHBondContact O-N 3.27Å; K156-T160 PolarHBondContact O-OG1 3.23Å
157	M	98.6	Very high	97.5	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-70	-41.3	177.5	-65.1	-50.8	98.4	0	0	111	I38 V47 T67 V153 L154 T155 T160 A161	I38-M157 HydrophobicContact CD1-CB 4.14Å; I38-M157 HydrophobicContact CG1-CB 4.31Å; I38-M157 HydrophobicContact CG2-CB 4.05Å; I38-M157 HydrophobicContact CG2-CG 3.92Å; V47-M157 HydrophobicContact CB-CB 4.21Å; V47-M157 HydrophobicContact CG1-CB 4.49Å; V47-M157 HydrophobicContact CG1-SD 4.38Å; T67-M157 HydrophobicContact CG2-CE 3.54Å; V153-M157 WeakPolarHBondContact O-CG 3.32Å; V153-M157 PolarHBondContact O-N 3.1Å; V153-M157 VanDerWaalsContact O-N 3.08Å; L154-M157 PolarHBondContact O-N 3.14Å; L154-M157 VanDerWaalsContact O-N 3.16Å; T155-M157 VanDerWaalsContact C-N 3.28Å; T155-M157 PolarHBondContact O-N 3.3Å; M157-T160 WeakPolarHBondContact O-CB 3.47Å; M157-T160 PolarHBondContact O-N 3.01Å; M157-A161 PolarHBondContact O-N 3.08Å
158	K	98.1	Very high	97.3	Very high	26 Å²	26	38.1 Å²	38.1	11%	0.113	21%	0.208	C	C	.	.	H	α-helix	trans	-59.7	-51	172.3	170.4	-176.5	166.5	176.1	0	111.4	L154 T155 T160 A161 E162 V169 A195 G196 L197	L154-K158 WeakPolarHBondContact O-CB 3.06Å; L154-K158 PolarHBondContact O-N 3.49Å; T155-K158 WeakPolarHBondContact O-CB 3.3Å; T155-K158 PolarHBondContact O-N 3.42Å; K158-T160 VanDerWaalsContact C-N 3.28Å; K158-T160 PolarHBondContact O-N 3.46Å; K158-A161 CarbonylContact O-C 3.56Å; K158-A161 WeakPolarHBondContact O-CB 3.2Å; K158-A161 PolarHBondContact O-N 3.18Å; K158-E162 VanDerWaalsContact CE-OE1 3.32Å; K158-E162 WeakPolarHBondContact CE-OE1 3.27Å; K158-E162 HydrophobicContact CG-CG 4.29Å; K158-E162 WeakPolarHBondContact O-CG 3.29Å; K158-E162 PolarHBondContact O-N 3.26Å; K158-V169 WeakPolarHBondContact CE-O 3.47Å; K158-V169 HydrophobicContact CG-CB 4.48Å; K158-A195 PolarHBondContact NZ-O 2.86Å; K158-G196 PolarHBondContact NZ-O 3.41Å; K158-L197 HydrophobicContact CB-CD1 4.45Å; K158-L197 HydrophobicContact CB-CD2 4.38Å; K158-L197 HydrophobicContact CD-CD2 3.8Å; K158-L197 HydrophobicContact CD-CG 4.08Å; K158-L197 HydrophobicContact CG-CD2 4.16Å
159	E	96.6	Very high	97.3	Very high	67 Å²	67	37.4 Å²	37.4	31%	0.313	20%	0.204	S	C	.	.	H	α-helix	trans	-58.2	-40.6	177.4	-73.9	172.4	176.9	0	0	112.1	T155 A161 E162 A163	T155-E159 HydrophobicContact CG2-CG 4.36Å; T155-E159 WeakPolarHBondContact O-CG 3.43Å; T155-E159 PolarHBondContact O-N 2.94Å; E159-A161 VanDerWaalsContact C-N 3.33Å; E159-A161 PolarHBondContact O-N 3.46Å; E159-E162 PolarHBondContact O-N 2.83Å; E159-A163 WeakPolarHBondContact O-CB 3.48Å; E159-A163 PolarHBondContact O-N 3.3Å
160	T	98.1	Very high	97.2	Very high	9 Å²	9	39.9 Å²	39.9	6%	0.055	22%	0.219	C	C	.	.	H	α-helix	trans	-59.3	-44.8	174.6	-62.7	0	0	0	0	111.1	V47 I58 A59 N60 K156 M157 K158 Y164	V47-T160 HydrophobicContact CG1-CG2 4.02Å; I58-T160 HydrophobicContact CB-CG2 4.41Å; I58-T160 HydrophobicContact CG2-CG2 3.8Å; A59-T160 WeakPolarHBondContact O-CG2 3.42Å; N60-T160 HydrophobicContact CB-CG2 4.23Å; K156-T160 WeakPolarHBondContact O-CB 2.96Å; K156-T160 PolarHBondContact O-N 3.27Å; K156-T160 PolarHBondContact O-OG1 3.23Å; M157-T160 WeakPolarHBondContact O-CB 3.47Å; M157-T160 PolarHBondContact O-N 3.01Å; K158-T160 VanDerWaalsContact C-N 3.28Å; K158-T160 PolarHBondContact O-N 3.46Å; T160-Y164 PolarHBondContact O-N 2.87Å
161	A	98.1	Very high	97.2	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-68.6	-40.5	175.8	0	0	0	0	0	112.9	I36 V47 I58 M157 K158 E159 Y164 L165	I36-A161 HydrophobicContact CD1-CB 4.04Å; I36-A161 HydrophobicContact CG2-CB 3.92Å; V47-A161 HydrophobicContact CG2-CB 4.18Å; I58-A161 HydrophobicContact CD1-CB 3.87Å; M157-A161 PolarHBondContact O-N 3.08Å; K158-A161 CarbonylContact O-C 3.56Å; K158-A161 WeakPolarHBondContact O-CB 3.2Å; K158-A161 PolarHBondContact O-N 3.18Å; E159-A161 VanDerWaalsContact C-N 3.33Å; E159-A161 PolarHBondContact O-N 3.46Å; A161-Y164 PolarHBondContact O-N 3.47Å; A161-L165 VanDerWaalsContact O-CB 3.29Å; A161-L165 WeakPolarHBondContact O-CB 3.36Å; A161-L165 WeakPolarHBondContact O-CG 3.45Å; A161-L165 PolarHBondContact O-N 3.05Å
162	E	97.2	Very high	97.2	Very high	45 Å²	45	40.9 Å²	40.9	21%	0.21	22%	0.223	C	C	.	.	H	α-helix	trans	-62.7	-41.6	177.5	-71.7	-178.5	155.7	0	0	111.7	K158 E159 L165 G166 K167 K168 V169	K158-E162 VanDerWaalsContact CE-OE1 3.32Å; K158-E162 WeakPolarHBondContact CE-OE1 3.27Å; K158-E162 HydrophobicContact CG-CG 4.29Å; K158-E162 WeakPolarHBondContact O-CG 3.29Å; K158-E162 PolarHBondContact O-N 3.26Å; E159-E162 PolarHBondContact O-N 2.83Å; E162-L165 PolarHBondContact O-N 3.06Å; E162-G166 WeakPolarHBondContact O-CA 3.39Å; E162-G166 PolarHBondContact O-N 3.32Å; E162-K167 WeakPolarHBondContact CA-O 3.4Å; E162-K167 WeakPolarHBondContact CG-O 3.45Å; E162-K167 PolarHBondContact O-N 2.64Å; E162-K168 WeakPolarHBondContact OE1-CA 3.35Å; E162-K168 WeakPolarHBondContact OE1-CG 3.37Å; E162-V169 HydrophobicContact CG-CB 3.89Å; E162-V169 HydrophobicContact CG-CG2 3.8Å; E162-V169 PolarHBondContact OE1-N 3.02Å
163	A	96.3	Very high	97.1	Very high	85 Å²	85	40.4 Å²	40.4	70%	0.702	22%	0.221	S	C	*	.	H	α-helix	trans	-61.9	-42	175.2	0	0	0	0	0	112	E159	E159-A163 WeakPolarHBondContact O-CB 3.48Å; E159-A163 PolarHBondContact O-N 3.3Å
164	Y	97	Very high	97.1	Very high	112 Å²	112	40.2 Å²	40.2	44%	0.439	22%	0.22	S	C	.	.	H	α-helix	trans	-70.3	-40.3	176.6	174.9	-98.4	0	0	0	113.1	V49 I58 T160 A161	V49-Y164 HydrophobicContact CG1-CE1 4.2Å; I58-Y164 HydrophobicContact CD1-CD1 3.8Å; I58-Y164 HydrophobicContact CD1-CE1 4.5Å; I58-Y164 HydrophobicContact CD1-CG 4.23Å; I58-Y164 HydrophobicContact CG1-CD1 4.02Å; I58-Y164 HydrophobicContact CG1-CE1 4.45Å; I58-Y164 HydrophobicContact CG1-CG 4.24Å; I58-Y164 VanDerWaalsContact CG2-CB 3.45Å; I58-Y164 HydrophobicContact CG2-CD1 4.35Å; I58-Y164 HydrophobicContact CG2-CD2 4.13Å; I58-Y164 HydrophobicContact CG2-CG 3.73Å; T160-Y164 PolarHBondContact O-N 2.87Å; A161-Y164 PolarHBondContact O-N 3.47Å
165	L	95.7	Very high	97.1	Very high	27 Å²	27	40.2 Å²	40.2	14%	0.141	22%	0.22	C	C	.	.	H	α-helix	trans	-82.9	-18.1	-176.1	-67	170.6	0	0	0	113.4	T34 I36 V49 A161 E162 K167 V169	T34-L165 HydrophobicContact CG2-CD1 3.73Å; I36-L165 HydrophobicContact CG2-CD1 4.43Å; V49-L165 HydrophobicContact CG1-CD2 4.44Å; V49-L165 HydrophobicContact CG2-CD2 4.47Å; A161-L165 VanDerWaalsContact O-CB 3.29Å; A161-L165 WeakPolarHBondContact O-CB 3.36Å; A161-L165 WeakPolarHBondContact O-CG 3.45Å; A161-L165 PolarHBondContact O-N 3.05Å; E162-L165 PolarHBondContact O-N 3.06Å; L165-K167 HydrophobicContact CB-CG 4Å; L165-K167 PolarHBondContact O-N 3.23Å; L165-V169 HydrophobicContact CD1-CG2 3.74Å
166	G	95.2	Very high	97	Very high	73 Å²	73	39.3 Å²	39.3	75%	0.753	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	68	20.5	-175.8	0	0	0	0	0	114	E162	E162-G166 WeakPolarHBondContact O-CA 3.39Å; E162-G166 PolarHBondContact O-N 3.32Å
167	K	94.8	Very high	96.7	Very high	106 Å²	106	38 Å²	38	46%	0.461	21%	0.208	S	C	.	.	S	Bend	trans	-154	158.2	-177.1	64.6	-178.5	-177.6	175.6	0	111.5	T34 E162 L165	T34-K167 VanDerWaalsContact OG1-CE 3.27Å; T34-K167 WeakPolarHBondContact OG1-CE 3.45Å; T34-K167 PolarHBondContact OG1-NZ 3.26Å; E162-K167 WeakPolarHBondContact CA-O 3.4Å; E162-K167 WeakPolarHBondContact CG-O 3.45Å; E162-K167 PolarHBondContact O-N 2.64Å; L165-K167 HydrophobicContact CB-CG 4Å; L165-K167 PolarHBondContact O-N 3.23Å
168	K	94.5	Very high	96.2	Very high	163 Å²	163	38 Å²	38	71%	0.709	21%	0.208	S	C	*	.			trans	-63.6	140	177.9	-168.6	175.1	-177.2	174.4	0	111.9	E162 T170	E162-K168 WeakPolarHBondContact OE1-CA 3.35Å; E162-K168 WeakPolarHBondContact OE1-CG 3.37Å; K168-T170 HydrophobicContact CD-CG2 4.42Å; K168-T170 HydrophobicContact CG-CG2 4.33Å
169	V	96	Very high	95.5	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.212	C	C	.	.			trans	-115.5	129	176	176.5	0	0	0	0	109.2	I36 K158 E162 L165 L197	I36-V169 HydrophobicContact CB-CG1 4.5Å; I36-V169 HydrophobicContact CD1-CG1 3.8Å; I36-V169 HydrophobicContact CG1-CG1 3.83Å; I36-V169 HydrophobicContact CG2-CG1 3.95Å; I36-V169 HydrophobicContact CG2-CG2 4.37Å; K158-V169 WeakPolarHBondContact CE-O 3.47Å; K158-V169 HydrophobicContact CG-CB 4.48Å; E162-V169 HydrophobicContact CG-CB 3.89Å; E162-V169 HydrophobicContact CG-CG2 3.8Å; E162-V169 PolarHBondContact OE1-N 3.02Å; L165-V169 HydrophobicContact CD1-CG2 3.74Å; V169-L197 HydrophobicContact CG1-CD2 4.36Å
170	T	96.6	Very high	95	Very high	55 Å²	55	36 Å²	36	34%	0.337	20%	0.198	S	C	.	.			trans	-123.4	-11.8	-175.1	52.2	0	0	0	0	114	K168 T198	K168-T170 HydrophobicContact CD-CG2 4.42Å; K168-T170 HydrophobicContact CG-CG2 4.33Å; T170-T198 PolarHBondContact O-N 2.86Å
171	H	97.9	Very high	94.3	Very high	29 Å²	29	36.6 Å²	36.6	13%	0.134	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	141.8	-175.5	-64.7	86.5	0	0	0	110.9	Y32 V35 I36 T198 L200	Y32-H171 AromaticContact CD1-CD2 3.92Å; Y32-H171 AromaticContact CD1-NE2 3.71Å; Y32-H171 PolarHBondContact O-CE1 2.86Å; Y32-H171 PolarHBondContact O-ND1 2.88Å; V35-H171 WeakPolarHBondContact CA-O 3.47Å; V35-H171 HydrophobicContact CB-CB 4.48Å; V35-H171 HydrophobicContact CG1-CB 4.22Å; V35-H171 HydrophobicContact CG2-CB 4Å; I36-H171 PolarHBondContact N-O 3.41Å; H171-T198 WeakPolarHBondContact CA-O 3.35Å; H171-L200 HydrophobicContact CB-CD1 3.85Å; H171-L200 HydrophobicContact CB-CG 4.21Å
172	A	98.3	Very high	93.5	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	157.4	179.4	0	0	0	0	0	113.1	I36 I38 V174 L197 T198 V199 L200	I36-A172 HydrophobicContact CG1-CB 3.9Å; I36-A172 CarbonylContact O-C 3.52Å; I36-A172 VanDerWaalsContact O-CA 3.25Å; I36-A172 WeakPolarHBondContact O-CA 3.46Å; I38-A172 HydrophobicContact CD1-CB 4.17Å; A172-V174 HydrophobicContact CB-CG2 4.26Å; A172-L197 HydrophobicContact CB-CB 4.42Å; A172-L197 HydrophobicContact CB-CD1 4.02Å; A172-L197 HydrophobicContact CB-CD2 4.18Å; A172-L197 HydrophobicContact CB-CG 4.45Å; A172-T198 PolarHBondContact N-O 2.98Å; A172-T198 VanDerWaalsContact N-O 3.1Å; A172-V199 WeakPolarHBondContact O-CA 3.42Å; A172-L200 PolarHBondContact O-N 2.98Å
173	V	98.2	Very high	92.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	128.3	157.7	176.1	0	0	0	0	107	V35 I36 I38 R201 I203 A402 Q405 A406 I409	V35-V173 HydrophobicContact CG1-CG2 4.34Å; I36-V173 PolarHBondContact O-N 3.39Å; I38-V173 PolarHBondContact N-O 2.99Å; V173-R201 WeakPolarHBondContact CA-O 3.35Å; V173-R201 HydrophobicContact CG1-CB 4.17Å; V173-R201 HydrophobicContact CG2-CB 4.06Å; V173-I203 HydrophobicContact CG1-CB 4.13Å; V173-I203 HydrophobicContact CG1-CG2 3.63Å; V173-A402 HydrophobicContact CG1-CB 4.26Å; V173-Q405 HydrophobicContact CG1-CB 4.43Å; V173-Q405 HydrophobicContact CG1-CG 4.32Å; V173-Q405 HydrophobicContact CG2-CG 4.41Å; V173-A406 HydrophobicContact CB-CB 4.35Å; V173-A406 HydrophobicContact CG2-CB 3.83Å; V173-I409 HydrophobicContact CG2-CD1 3.91Å
174	V	98.4	Very high	92.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	137.3	-177.1	-177	0	0	0	0	109.6	I38 L40 L154 A172 T188 V199 R201 I202 I203	I38-V174 WeakPolarHBondContact O-CA 3.33Å; L40-V174 HydrophobicContact CB-CG1 4.2Å; L154-V174 HydrophobicContact CD2-CG1 4.24Å; L154-V174 HydrophobicContact CD2-CG2 4.5Å; A172-V174 HydrophobicContact CB-CG2 4.26Å; V174-T188 HydrophobicContact CG1-CG2 3.93Å; V174-V199 HydrophobicContact CB-CG1 4.37Å; V174-V199 HydrophobicContact CG2-CG1 4.21Å; V174-V199 HydrophobicContact CG2-CG2 4.17Å; V174-R201 PolarHBondContact N-O 2.96Å; V174-R201 VanDerWaalsContact N-O 3.11Å; V174-I202 HydrophobicContact CB-CD1 4.19Å; V174-I202 WeakPolarHBondContact O-CA 3.48Å; V174-I203 PolarHBondContact O-N 3.26Å; V174-I203 VanDerWaalsContact O-N 3.1Å
175	T	98.1	Very high	92.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	152.4	-178.1	69.4	0	0	0	0	113.1	I38 D39 L40 I203 V398 A402	I38-T175 WeakPolarHBondContact O-CG2 3.34Å; I38-T175 PolarHBondContact O-N 2.95Å; D39-T175 VanDerWaalsContact CA-OG1 3.29Å; D39-T175 WeakPolarHBondContact CA-OG1 3.42Å; D39-T175 PolarHBondContact OD1-OG1 2.89Å; L40-T175 PolarHBondContact N-OG1 3.12Å; T175-I203 CarbonylContact C-O 3.31Å; T175-I203 VanDerWaalsContact CA-O 3.26Å; T175-I203 WeakPolarHBondContact CA-O 3.21Å; T175-I203 HydrophobicContact CG2-CG2 3.75Å; T175-V398 HydrophobicContact CG2-CG1 3.49Å; T175-V398 VanDerWaalsContact CG2-CG1 3.49Å; T175-A402 HydrophobicContact CG2-CB 3.79Å
176	V	94.8	Very high	91.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	153	169.5	-65.8	0	0	0	0	110.3	F180 R185 T188 I202 I203 N204 E205	V176-F180 HydrophobicContact CB-CB 4.45Å; V176-F180 HydrophobicContact CB-CD2 3.78Å; V176-F180 HydrophobicContact CB-CE2 4.43Å; V176-F180 HydrophobicContact CB-CG 4.32Å; V176-F180 HydrophobicContact CG1-CD2 3.95Å; V176-F180 HydrophobicContact CG1-CE2 4.39Å; V176-R185 HydrophobicContact CG2-CG 4.3Å; V176-T188 HydrophobicContact CG1-CG2 3.79Å; V176-I202 HydrophobicContact CB-CG2 4.16Å; V176-I202 HydrophobicContact CG1-CG2 3.75Å; V176-I202 HydrophobicContact CG2-CG2 3.33Å; V176-I203 PolarHBondContact N-O 3.36Å; V176-N204 CarbonylContact O-C 3.51Å; V176-N204 WeakPolarHBondContact O-CA 3.43Å; V176-E205 VanDerWaalsContact C-OE1 3.31Å; V176-E205 WeakPolarHBondContact O-CG 3.44Å; V176-E205 PolarHBondContact O-N 2.83Å
177	P	92.4	Very high	91.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.107	C	C	.	.			trans	-54.6	141.8	169.8	-27.7	38.2	0	0	0	110.4	Y179 F180 E205 T233 D235	P177-Y179 PolarHBondContact O-N 3.34Å; P177-F180 HydrophobicContact CB-CD1 3.63Å; P177-F180 HydrophobicContact CB-CE1 4.01Å; P177-F180 HydrophobicContact CB-CG 4.19Å; P177-F180 HydrophobicContact CG-CD1 3.58Å; P177-F180 HydrophobicContact CG-CE1 3.45Å; P177-F180 VanDerWaalsContact CG-CE1 3.45Å; P177-F180 HydrophobicContact CG-CE2 4.43Å; P177-F180 HydrophobicContact CG-CG 4.17Å; P177-F180 HydrophobicContact CG-CZ 3.91Å; P177-F180 WeakPolarHBondContact O-CB 3.42Å; P177-F180 PolarHBondContact O-N 3.38Å; P177-E205 WeakPolarHBondContact CD-OE1 3.41Å; P177-E205 VanDerWaalsContact N-OE1 3.15Å; P177-T233 HydrophobicContact CB-CG2 4.33Å; P177-T233 HydrophobicContact CG-CG2 3.8Å; P177-D235 WeakPolarHBondContact CA-OD2 3.35Å; P177-D235 WeakPolarHBondContact CB-OD2 3.48Å
178	A	88.1	Confident	91.8	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.008	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-35.1	-176.7	0	0	0	0	0	111.5	F180 R185 N204 P206 D235 T251 P425	A178-F180 VanDerWaalsContact C-N 3.31Å; A178-F180 PolarHBondContact O-N 3.28Å; A178-R185 PolarHBondContact O-NH2 2.83Å; A178-N204 HydrophobicContact CB-CB 4.2Å; A178-P206 HydrophobicContact CB-CG 3.61Å; A178-D235 HydrophobicContact CB-CB 4.37Å; A178-D235 PolarHBondContact N-OD2 3.4Å; A178-T251 WeakPolarHBondContact CB-OG1 3.05Å; A178-P425 WeakPolarHBondContact O-CB 3.5Å; A178-P425 WeakPolarHBondContact O-CG 3.44Å
179	Y	84.4	Confident	91.8	Very high	48 Å²	48	12.8 Å²	12.8	19%	0.188	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	9.6	179.6	-141.5	-111.9	0	0	0	114.7	P177 D235 T255 P425 L426	P177-Y179 PolarHBondContact O-N 3.34Å; Y179-D235 WeakPolarHBondContact CB-OD1 3.49Å; Y179-D235 PolarHBondContact N-OD1 2.99Å; Y179-T255 HydrophobicContact CD1-CG2 4.38Å; Y179-T255 WeakPolarHBondContact O-CG2 3.2Å; Y179-P425 HydrophobicContact CD2-CB 3.83Å; Y179-P425 HydrophobicContact CE2-CB 4.28Å; Y179-L426 HydrophobicContact CE1-CD2 4.05Å; Y179-L426 HydrophobicContact CE2-CD2 4.01Å; Y179-L426 WeakPolarHBondContact OH-CD2 3.48Å
180	F	86.1	Confident	91.6	Very high	2 Å²	2	12.9 Å²	12.9	1%	0.009	6%	0.064	C	C	.	.			trans	-61.8	136.1	168.5	-95.7	20.5	0	0	0	111.1	K101 I104 V176 P177 A178 Q184 R185 T255	K101-F180 HydrophobicContact CG-CZ 3.96Å; I104-F180 HydrophobicContact CG2-CE2 4.16Å; I104-F180 HydrophobicContact CG2-CZ 4.13Å; V176-F180 HydrophobicContact CB-CB 4.45Å; V176-F180 HydrophobicContact CB-CD2 3.78Å; V176-F180 HydrophobicContact CB-CE2 4.43Å; V176-F180 HydrophobicContact CB-CG 4.32Å; V176-F180 HydrophobicContact CG1-CD2 3.95Å; V176-F180 HydrophobicContact CG1-CE2 4.39Å; P177-F180 HydrophobicContact CB-CD1 3.63Å; P177-F180 HydrophobicContact CB-CE1 4.01Å; P177-F180 HydrophobicContact CB-CG 4.19Å; P177-F180 HydrophobicContact CG-CD1 3.58Å; P177-F180 HydrophobicContact CG-CE1 3.45Å; P177-F180 VanDerWaalsContact CG-CE1 3.45Å; P177-F180 HydrophobicContact CG-CE2 4.43Å; P177-F180 HydrophobicContact CG-CG 4.17Å; P177-F180 HydrophobicContact CG-CZ 3.91Å; P177-F180 WeakPolarHBondContact O-CB 3.42Å; P177-F180 PolarHBondContact O-N 3.38Å; A178-F180 VanDerWaalsContact C-N 3.31Å; A178-F180 PolarHBondContact O-N 3.28Å; F180-Q184 HydrophobicContact CB-CB 4.05Å; F180-Q184 HydrophobicContact CD1-CB 4.26Å; F180-Q184 HydrophobicContact CD2-CB 3.41Å; F180-Q184 VanDerWaalsContact CD2-CB 3.41Å; F180-Q184 HydrophobicContact CD2-CG 4.47Å; F180-Q184 HydrophobicContact CE2-CB 3.78Å; F180-Q184 HydrophobicContact CG-CB 3.66Å; F180-Q184 HydrophobicContact CG-CG 4.47Å; F180-Q184 HydrophobicContact CZ-CB 4.33Å; F180-R185 HydrophobicContact CB-CG 4.14Å; F180-R185 PolarHBondContact O-NE 2.67Å; F180-T255 HydrophobicContact CD1-CG2 4.09Å
181	N	82.2	Confident	91.7	Very high	22 Å²	22	10.2 Å²	10.2	12%	0.118	5%	0.048	C	C	.	.			trans	-79.5	176.3	173.1	71.3	10.9	0	0	0	113.4	A183 Q184 R185 E471	N181-A183 PolarHBondContact O-N 3.4Å; N181-A183 PolarHBondContact OD1-N 3.22Å; N181-Q184 PolarHBondContact O-N 3.26Å; N181-Q184 WeakPolarHBondContact OD1-CB 3.46Å; N181-Q184 WeakPolarHBondContact OD1-CG 3.5Å; N181-Q184 PolarHBondContact OD1-N 3.21Å; N181-Q184 PolarHBondContact OD1-OE1 3.49Å; N181-R185 VanDerWaalsContact O-CG 3.3Å; N181-R185 WeakPolarHBondContact O-CG 3.48Å; N181-R185 PolarHBondContact O-N 3.04Å; N181-E471 VanDerWaalsContact CB-CD 3.44Å; N181-E471 WeakPolarHBondContact CB-OE1 3.32Å; N181-E471 VanDerWaalsContact CB-OE2 3.28Å; N181-E471 WeakPolarHBondContact CB-OE2 3.48Å; N181-E471 PolarHBondContact ND2-OE1 3.19Å
182	D	80.9	Confident	91.6	Very high	10 Å²	10	8.9 Å²	8.9	5%	0.053	4%	0.042	C	C	.	.	H	α-helix	trans	-56.4	-46.1	-179.1	-174.9	87.7	0	0	0	112.4	Q184 R185 Q186 L483 I512 L513	D182-Q184 PolarHBondContact O-N 2.85Å; D182-R185 PolarHBondContact O-N 3.02Å; D182-Q186 WeakPolarHBondContact O-CB 3.43Å; D182-Q186 PolarHBondContact O-N 3.25Å; D182-L483 HydrophobicContact CB-CD2 3.95Å; D182-I512 WeakPolarHBondContact OD1-CA 3.46Å; D182-L513 PolarHBondContact OD1-N 3.25Å
183	A	86	Confident	91.5	Very high	8 Å²	8	11.3 Å²	11.3	7%	0.066	6%	0.057	C	C	.	.	H	α-helix	trans	-61.4	-41.7	179.6	0	0	0	0	0	112.6	N181 A187	N181-A183 PolarHBondContact O-N 3.4Å; N181-A183 PolarHBondContact OD1-N 3.22Å; A183-A187 VanDerWaalsContact O-CB 3.23Å; A183-A187 WeakPolarHBondContact O-CB 3.46Å; A183-A187 PolarHBondContact O-N 2.83Å
184	Q	89.6	Confident	91.4	Very high	7 Å²	7	11.6 Å²	11.6	3%	0.033	6%	0.058	C	C	.	.	H	α-helix	trans	-69.7	-39	178	-66.4	176.5	-59.4	0	0	112.6	I104 F180 N181 D182 T188	I104-Q184 WeakPolarHBondContact O-CG 3.48Å; F180-Q184 HydrophobicContact CB-CB 4.05Å; F180-Q184 HydrophobicContact CD1-CB 4.26Å; F180-Q184 HydrophobicContact CD2-CB 3.41Å; F180-Q184 VanDerWaalsContact CD2-CB 3.41Å; F180-Q184 HydrophobicContact CD2-CG 4.47Å; F180-Q184 HydrophobicContact CE2-CB 3.78Å; F180-Q184 HydrophobicContact CG-CB 3.66Å; F180-Q184 HydrophobicContact CG-CG 4.47Å; F180-Q184 HydrophobicContact CZ-CB 4.33Å; N181-Q184 PolarHBondContact O-N 3.26Å; N181-Q184 WeakPolarHBondContact OD1-CB 3.46Å; N181-Q184 WeakPolarHBondContact OD1-CG 3.5Å; N181-Q184 PolarHBondContact OD1-N 3.21Å; N181-Q184 PolarHBondContact OD1-OE1 3.49Å; D182-Q184 PolarHBondContact O-N 2.85Å; Q184-T188 WeakPolarHBondContact O-CB 3.37Å; Q184-T188 PolarHBondContact O-N 3.35Å; Q184-T188 PolarHBondContact O-OG1 3.22Å
185	R	90.4	Very high	91.3	Very high	9 Å²	9	11.9 Å²	11.9	3%	0.034	6%	0.061	C	C	.	.	H	α-helix	trans	-62.3	-46.7	174.1	-71.8	171.3	-177.9	-82.3	-9	110.9	V176 A178 F180 N181 D182 T188 K189 N204	V176-R185 HydrophobicContact CG2-CG 4.3Å; A178-R185 PolarHBondContact O-NH2 2.83Å; F180-R185 HydrophobicContact CB-CG 4.14Å; F180-R185 PolarHBondContact O-NE 2.67Å; N181-R185 VanDerWaalsContact O-CG 3.3Å; N181-R185 WeakPolarHBondContact O-CG 3.48Å; N181-R185 PolarHBondContact O-N 3.04Å; D182-R185 PolarHBondContact O-N 3.02Å; R185-T188 PolarHBondContact O-N 3.07Å; R185-K189 PolarHBondContact O-N 3.33Å; R185-N204 VanDerWaalsContact CZ-OD1 3.27Å; R185-N204 PolarHBondContact NH1-OD1 3.28Å; R185-N204 PolarHBondContact NH2-OD1 2.98Å
186	Q	87.8	Confident	91.2	Very high	15 Å²	15	13.7 Å²	13.7	7%	0.07	8%	0.08	C	C	.	.	H	α-helix	trans	-65.6	-44.6	179	-172.2	53.9	72	0	0	111.7	D182 T188 K189 D190 R536	D182-Q186 WeakPolarHBondContact O-CB 3.43Å; D182-Q186 PolarHBondContact O-N 3.25Å; Q186-T188 VanDerWaalsContact C-N 3.29Å; Q186-T188 PolarHBondContact O-N 2.81Å; Q186-K189 WeakPolarHBondContact O-CB 3.36Å; Q186-K189 PolarHBondContact O-N 3.36Å; Q186-K189 VanDerWaalsContact O-N 3.12Å; Q186-D190 PolarHBondContact NE2-OD1 3.17Å; Q186-D190 WeakPolarHBondContact O-CB 3.43Å; Q186-D190 VanDerWaalsContact O-CG 3.27Å; Q186-D190 PolarHBondContact O-N 3.16Å; Q186-R536 VanDerWaalsContact CD-NH1 3.28Å; Q186-R536 HydrophobicContact CG-CG 4.04Å
187	A	92.6	Very high	91.3	Very high	4 Å²	4	13.9 Å²	13.9	3%	0.033	8%	0.081	C	C	.	.	H	α-helix	trans	-61.4	-36.8	176.5	0	0	0	0	0	112.3	I104 E147 A183 D190 A191	I104-A187 HydrophobicContact CD1-CB 4.25Å; I104-A187 HydrophobicContact CG1-CB 3.62Å; E147-A187 HydrophobicContact CG-CB 3.85Å; E147-A187 WeakPolarHBondContact CG-O 3.34Å; A183-A187 VanDerWaalsContact O-CB 3.23Å; A183-A187 WeakPolarHBondContact O-CB 3.46Å; A183-A187 PolarHBondContact O-N 2.83Å; A187-D190 PolarHBondContact O-N 3.25Å; A187-A191 WeakPolarHBondContact O-CB 3.48Å; A187-A191 PolarHBondContact O-N 3.34Å
188	T	94.8	Very high	91.5	Very high	3 Å²	3	17.5 Å²	17.5	2%	0.018	10%	0.103	C	C	.	.	H	α-helix	trans	-67.8	-39.1	174.2	-55.1	0	0	0	0	111.9	L40 V174 V176 Q184 R185 Q186 A191 G192 I202	L40-T188 HydrophobicContact CD2-CG2 4.06Å; V174-T188 HydrophobicContact CG1-CG2 3.93Å; V176-T188 HydrophobicContact CG1-CG2 3.79Å; Q184-T188 WeakPolarHBondContact O-CB 3.37Å; Q184-T188 PolarHBondContact O-N 3.35Å; Q184-T188 PolarHBondContact O-OG1 3.22Å; R185-T188 PolarHBondContact O-N 3.07Å; Q186-T188 VanDerWaalsContact C-N 3.29Å; Q186-T188 PolarHBondContact O-N 2.81Å; T188-A191 WeakPolarHBondContact O-CB 3.5Å; T188-A191 PolarHBondContact O-N 2.75Å; T188-G192 PolarHBondContact O-N 3.38Å; T188-G192 VanDerWaalsContact O-N 3.11Å; T188-I202 HydrophobicContact CG2-CD1 4.49Å
189	K	93.6	Very high	91.9	Very high	55 Å²	55	18.1 Å²	18.1	24%	0.239	11%	0.107	C	C	.	.	H	α-helix	trans	-65.4	-40.7	173.8	-174.4	178	179.2	-179.7	0	112	R185 Q186 G192 T193 V199 I202 I512	R185-K189 PolarHBondContact O-N 3.33Å; Q186-K189 WeakPolarHBondContact O-CB 3.36Å; Q186-K189 PolarHBondContact O-N 3.36Å; Q186-K189 VanDerWaalsContact O-N 3.12Å; K189-G192 PolarHBondContact O-N 2.78Å; K189-T193 PolarHBondContact O-N 3.4Å; K189-T193 PolarHBondContact O-OG1 3.08Å; K189-V199 HydrophobicContact CG-CB 4.2Å; K189-V199 HydrophobicContact CG-CG1 4.48Å; K189-I202 HydrophobicContact CB-CD1 4.3Å; K189-I202 HydrophobicContact CB-CG1 4.4Å; K189-I512 HydrophobicContact CD-CD1 4.08Å
190	D	93.3	Very high	92.4	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.011	11%	0.108	C	C	.	.	H	α-helix	trans	-64.9	-40.5	175.8	-67.7	-17	0	0	0	110.2	Q186 A187 G192 T193 I194 R536 I542	Q186-D190 PolarHBondContact NE2-OD1 3.17Å; Q186-D190 WeakPolarHBondContact O-CB 3.43Å; Q186-D190 VanDerWaalsContact O-CG 3.27Å; Q186-D190 PolarHBondContact O-N 3.16Å; A187-D190 PolarHBondContact O-N 3.25Å; D190-G192 VanDerWaalsContact C-N 3.31Å; D190-G192 PolarHBondContact O-N 3.42Å; D190-T193 WeakPolarHBondContact O-CA 3.47Å; D190-T193 WeakPolarHBondContact O-CB 3.38Å; D190-T193 PolarHBondContact O-N 3Å; D190-I194 WeakPolarHBondContact O-CG1 3.48Å; D190-I194 PolarHBondContact O-N 3.37Å; D190-R536 IonicContact OD1-CZ 3.56Å; D190-R536 IonicContact OD1-NE 3.75Å; D190-R536 IonicContact OD1-NH2 3.46Å; D190-R536 PolarHBondContact OD1-NH2 2.92Å; D190-R536 WeakPolarHBondContact OD2-CG 3.46Å; D190-R536 IonicContact OD2-NE 3.44Å; D190-R536 PolarHBondContact OD2-NE 3.21Å; D190-I542 HydrophobicContact CB-CD1 4.3Å
191	A	97.1	Very high	92.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-57.9	-40.9	171.9	0	0	0	0	0	112.7	E147 A151 L154 A187 T188 T193 I194 A195	E147-A191 HydrophobicContact CB-CB 4.26Å; E147-A191 WeakPolarHBondContact O-CB 3.36Å; A151-A191 HydrophobicContact CB-CB 4.49Å; A151-A191 WeakPolarHBondContact CB-O 3.5Å; L154-A191 HydrophobicContact CD1-CB 4.12Å; A187-A191 WeakPolarHBondContact O-CB 3.48Å; A187-A191 PolarHBondContact O-N 3.34Å; T188-A191 WeakPolarHBondContact O-CB 3.5Å; T188-A191 PolarHBondContact O-N 2.75Å; A191-T193 VanDerWaalsContact C-N 3.32Å; A191-T193 PolarHBondContact O-N 2.87Å; A191-I194 PolarHBondContact O-N 3.39Å; A191-A195 PolarHBondContact O-N 2.95Å
192	G	97.2	Very high	93.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-62.6	-39.6	172.7	0	0	0	0	0	112.9	T188 K189 D190 A195 G196 L197	T188-G192 PolarHBondContact O-N 3.38Å; T188-G192 VanDerWaalsContact O-N 3.11Å; K189-G192 PolarHBondContact O-N 2.78Å; D190-G192 VanDerWaalsContact C-N 3.31Å; D190-G192 PolarHBondContact O-N 3.42Å; G192-A195 PolarHBondContact O-N 3.04Å; G192-G196 PolarHBondContact O-N 2.9Å; G192-L197 CarbonylContact C-O 3.58Å; G192-L197 WeakPolarHBondContact O-CB 3.45Å; G192-L197 PolarHBondContact O-N 2.95Å; G192-L197 VanDerWaalsContact O-O 3.11Å
193	T	95	Very high	94	Very high	51 Å²	51	19.2 Å²	19.2	31%	0.313	11%	0.111	S	C	.	.	H	α-helix	trans	-63.5	-45	176.5	-52.2	0	0	0	0	111	K189 D190 A191 A195 G196 I542 I546	K189-T193 PolarHBondContact O-N 3.4Å; K189-T193 PolarHBondContact O-OG1 3.08Å; D190-T193 WeakPolarHBondContact O-CA 3.47Å; D190-T193 WeakPolarHBondContact O-CB 3.38Å; D190-T193 PolarHBondContact O-N 3Å; A191-T193 VanDerWaalsContact C-N 3.32Å; A191-T193 PolarHBondContact O-N 2.87Å; T193-A195 VanDerWaalsContact C-N 3.28Å; T193-A195 PolarHBondContact O-N 3.16Å; T193-G196 PolarHBondContact O-N 3.34Å; T193-I542 HydrophobicContact CG2-CG2 4.04Å; T193-I546 HydrophobicContact CG2-CD1 4.31Å
194	I	95.7	Very high	94.4	Very high	6 Å²	6	19.2 Å²	19.2	3%	0.031	11%	0.11	C	C	.	.	H	α-helix	trans	-61.2	-34.8	175.7	-63.6	163.4	0	0	0	111.6	E147 E148 A151 D190 A191 G196 L537 I542 M545 A549	E147-I194 HydrophobicContact CB-CD1 4.02Å; E148-I194 HydrophobicContact CG-CD1 4.47Å; A151-I194 HydrophobicContact CB-CB 3.65Å; A151-I194 HydrophobicContact CB-CG2 3.49Å; A151-I194 VanDerWaalsContact CB-CG2 3.49Å; D190-I194 WeakPolarHBondContact O-CG1 3.48Å; D190-I194 PolarHBondContact O-N 3.37Å; A191-I194 PolarHBondContact O-N 3.39Å; I194-G196 PolarHBondContact O-N 3.31Å; I194-L537 HydrophobicContact CD1-CD1 3.98Å; I194-I542 HydrophobicContact CG1-CG2 4.43Å; I194-M545 HydrophobicContact CD1-CB 4.02Å; I194-M545 HydrophobicContact CD1-SD 3.74Å; I194-M545 HydrophobicContact CG1-CB 4.02Å; I194-M545 HydrophobicContact CG2-CB 4.17Å; I194-A549 HydrophobicContact CG2-CB 4.12Å
195	A	97.1	Very high	94.7	Very high	6 Å²	6	19.3 Å²	19.3	5%	0.05	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	1.8	174.8	0	0	0	0	0	114.2	A151 L154 K158 A191 G192 T193 L197	A151-A195 HydrophobicContact CB-CB 4.27Å; A151-A195 WeakPolarHBondContact O-CB 3.4Å; L154-A195 HydrophobicContact CB-CB 3.75Å; K158-A195 PolarHBondContact NZ-O 2.86Å; A191-A195 PolarHBondContact O-N 2.95Å; G192-A195 PolarHBondContact O-N 3.04Å; T193-A195 VanDerWaalsContact C-N 3.28Å; T193-A195 PolarHBondContact O-N 3.16Å; A195-L197 HydrophobicContact CB-CD1 4.47Å
196	G	95.1	Very high	94.9	Very high	39 Å²	39	18.9 Å²	18.9	40%	0.402	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	36.1	-175.5	0	0	0	0	0	112.5	K158 G192 T193 I194	K158-G196 PolarHBondContact NZ-O 3.41Å; G192-G196 PolarHBondContact O-N 2.9Å; T193-G196 PolarHBondContact O-N 3.34Å; I194-G196 PolarHBondContact O-N 3.31Å
197	L	97.4	Very high	95.2	Very high	4 Å²	4	18.1 Å²	18.1	2%	0.021	11%	0.106	C	C	.	.			trans	-113.3	131.2	171.3	-66.8	168	0	0	0	109.8	I38 K158 V169 A172 G192 A195 V199	I38-L197 HydrophobicContact CD1-CD1 3.79Å; K158-L197 HydrophobicContact CB-CD1 4.45Å; K158-L197 HydrophobicContact CB-CD2 4.38Å; K158-L197 HydrophobicContact CD-CD2 3.8Å; K158-L197 HydrophobicContact CD-CG 4.08Å; K158-L197 HydrophobicContact CG-CD2 4.16Å; V169-L197 HydrophobicContact CG1-CD2 4.36Å; A172-L197 HydrophobicContact CB-CB 4.42Å; A172-L197 HydrophobicContact CB-CD1 4.02Å; A172-L197 HydrophobicContact CB-CD2 4.18Å; A172-L197 HydrophobicContact CB-CG 4.45Å; G192-L197 CarbonylContact C-O 3.58Å; G192-L197 WeakPolarHBondContact O-CB 3.45Å; G192-L197 PolarHBondContact O-N 2.95Å; G192-L197 VanDerWaalsContact O-O 3.11Å; A195-L197 HydrophobicContact CB-CD1 4.47Å; L197-V199 PolarHBondContact O-N 2.88Å
198	T	97	Very high	95.3	Very high	76 Å²	76	18 Å²	18	47%	0.466	10%	0.104	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	105.2	162.9	-60.7	0	0	0	0	108.2	T170 H171 A172 L200	T170-T198 PolarHBondContact O-N 2.86Å; H171-T198 WeakPolarHBondContact CA-O 3.35Å; A172-T198 PolarHBondContact N-O 2.98Å; A172-T198 VanDerWaalsContact N-O 3.1Å; T198-L200 HydrophobicContact CG2-CD2 4.07Å; T198-L200 PolarHBondContact O-N 2.97Å; T198-L200 VanDerWaalsContact O-N 3.13Å
199	V	96.2	Very high	95.3	Very high	14 Å²	14	17.8 Å²	17.8	9%	0.085	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	100.6	178.4	-176.4	0	0	0	0	109.3	A172 V174 K189 L197 I202	A172-V199 WeakPolarHBondContact O-CA 3.42Å; V174-V199 HydrophobicContact CB-CG1 4.37Å; V174-V199 HydrophobicContact CG2-CG1 4.21Å; V174-V199 HydrophobicContact CG2-CG2 4.17Å; K189-V199 HydrophobicContact CG-CB 4.2Å; K189-V199 HydrophobicContact CG-CG1 4.48Å; L197-V199 PolarHBondContact O-N 2.88Å; V199-I202 HydrophobicContact CG1-CD1 3.7Å; V199-I202 HydrophobicContact CG1-CG1 4.18Å
200	L	94.9	Very high	95.3	Very high	40 Å²	40	15.2 Å²	15.2	21%	0.209	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	-27.5	-177.2	-68.4	-180	0	0	0	112.6	Y32 V35 H171 A172 T198 I409	Y32-L200 HydrophobicContact CD1-CD1 4.18Å; Y32-L200 HydrophobicContact CD1-CD2 4.25Å; Y32-L200 HydrophobicContact CD2-CD1 4.19Å; Y32-L200 HydrophobicContact CE1-CD2 4.14Å; Y32-L200 HydrophobicContact CG-CD1 3.97Å; V35-L200 HydrophobicContact CG1-CD1 4Å; V35-L200 HydrophobicContact CG2-CD1 3.81Å; H171-L200 HydrophobicContact CB-CD1 3.85Å; H171-L200 HydrophobicContact CB-CG 4.21Å; A172-L200 PolarHBondContact O-N 2.98Å; T198-L200 HydrophobicContact CG2-CD2 4.07Å; T198-L200 PolarHBondContact O-N 2.97Å; T198-L200 VanDerWaalsContact O-N 3.13Å; L200-I409 HydrophobicContact CB-CG2 4.19Å; L200-I409 HydrophobicContact CD1-CG2 3.66Å
201	R	94.1	Very high	95.3	Very high	54 Å²	54	15.1 Å²	15.1	20%	0.204	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	135.6	177.3	-171.1	65.1	64.2	110.9	1.3	110.7	V173 V174 I409 V509 N510	V173-R201 WeakPolarHBondContact CA-O 3.35Å; V173-R201 HydrophobicContact CG1-CB 4.17Å; V173-R201 HydrophobicContact CG2-CB 4.06Å; V174-R201 PolarHBondContact N-O 2.96Å; V174-R201 VanDerWaalsContact N-O 3.11Å; R201-I409 HydrophobicContact CB-CD1 3.66Å; R201-I409 HydrophobicContact CG-CD1 4.36Å; R201-V509 VanDerWaalsContact CZ-CG1 3.46Å; R201-N510 WeakPolarHBondContact CA-OD1 3.22Å; R201-N510 WeakPolarHBondContact CD-OD1 3.41Å
202	I	94.5	Very high	95.1	Very high	6 Å²	6	16 Å²	16	3%	0.031	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	123	158	-64.5	-65.2	0	0	0	107.5	V174 V176 T188 K189 V199 N510	V174-I202 HydrophobicContact CB-CD1 4.19Å; V174-I202 WeakPolarHBondContact O-CA 3.48Å; V176-I202 HydrophobicContact CB-CG2 4.16Å; V176-I202 HydrophobicContact CG1-CG2 3.75Å; V176-I202 HydrophobicContact CG2-CG2 3.33Å; T188-I202 HydrophobicContact CG2-CD1 4.49Å; K189-I202 HydrophobicContact CB-CD1 4.3Å; K189-I202 HydrophobicContact CB-CG1 4.4Å; V199-I202 HydrophobicContact CG1-CD1 3.7Å; V199-I202 HydrophobicContact CG1-CG1 4.18Å; I202-N510 HydrophobicContact CB-CB 4.28Å; I202-N510 PolarHBondContact N-OD1 3.18Å
203	I	95.2	Very high	94.8	Very high	4 Å²	4	16.8 Å²	16.8	2%	0.021	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	140.3	179	-169	169.5	0	0	0	110.3	V173 V174 T175 V176 T207 A208 I211 A402 Q405 L420	V173-I203 HydrophobicContact CG1-CB 4.13Å; V173-I203 HydrophobicContact CG1-CG2 3.63Å; V174-I203 PolarHBondContact O-N 3.26Å; V174-I203 VanDerWaalsContact O-N 3.1Å; T175-I203 CarbonylContact C-O 3.31Å; T175-I203 VanDerWaalsContact CA-O 3.26Å; T175-I203 WeakPolarHBondContact CA-O 3.21Å; T175-I203 HydrophobicContact CG2-CG2 3.75Å; V176-I203 PolarHBondContact N-O 3.36Å; I203-T207 HydrophobicContact CD1-CG2 4.42Å; I203-T207 HydrophobicContact CG1-CG2 4.34Å; I203-A208 HydrophobicContact CD1-CB 4.03Å; I203-A208 HydrophobicContact CG1-CB 4.33Å; I203-A208 HydrophobicContact CG2-CB 4.28Å; I203-I211 HydrophobicContact CD1-CD1 3.8Å; I203-A402 HydrophobicContact CG2-CB 4.22Å; I203-Q405 HydrophobicContact CD1-CB 4.06Å; I203-Q405 HydrophobicContact CD1-CG 4.13Å; I203-L420 HydrophobicContact CD1-CD2 4.3Å
204	N	93.9	Very high	94.5	Very high	9 Å²	9	14.5 Å²	14.5	5%	0.048	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	134.6	174.2	-67.1	-28.7	0	0	0	110.3	V176 A178 R185 T207 A208 D422	V176-N204 CarbonylContact O-C 3.51Å; V176-N204 WeakPolarHBondContact O-CA 3.43Å; A178-N204 HydrophobicContact CB-CB 4.2Å; R185-N204 VanDerWaalsContact CZ-OD1 3.27Å; R185-N204 PolarHBondContact NH1-OD1 3.28Å; R185-N204 PolarHBondContact NH2-OD1 2.98Å; N204-T207 WeakPolarHBondContact O-CA 3.41Å; N204-T207 WeakPolarHBondContact O-CB 3.46Å; N204-T207 PolarHBondContact O-N 3Å; N204-T207 VanDerWaalsContact O-N 3.09Å; N204-A208 PolarHBondContact O-N 3.49Å; N204-D422 PolarHBondContact ND2-OD1 2.81Å; N204-D422 PolarHBondContact ND2-OD2 3.11Å
205	E	95.9	Very high	93.8	Very high	8 Å²	8	16.4 Å²	16.4	4%	0.037	10%	0.099	C	C	.	.	H	α-helix	trans	-49.8	-53.6	178.9	-75.6	164.5	-161.3	0	0	113.7	K101 V176 P177 T207 A208 A209 V398	K101-E205 IonicContact NZ-OE1 3.8Å; K101-E205 PolarHBondContact NZ-OE1 2.89Å; V176-E205 VanDerWaalsContact C-OE1 3.31Å; V176-E205 WeakPolarHBondContact O-CG 3.44Å; V176-E205 PolarHBondContact O-N 2.83Å; P177-E205 WeakPolarHBondContact CD-OE1 3.41Å; P177-E205 VanDerWaalsContact N-OE1 3.15Å; E205-T207 VanDerWaalsContact C-N 3.27Å; E205-T207 PolarHBondContact O-N 3.44Å; E205-A208 WeakPolarHBondContact O-CB 3.48Å; E205-A208 PolarHBondContact O-N 2.96Å; E205-A209 PolarHBondContact O-N 3.34Å; E205-V398 HydrophobicContact CB-CG1 4.2Å; E205-V398 HydrophobicContact CB-CG2 4.38Å; E205-V398 HydrophobicContact CG-CG1 3.88Å
206	P	94.1	Very high	93	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-67.7	-28.3	179.5	25.5	-34.9	0	0	0	112.9	A178 A209 A210 V226 D235 T237	A178-P206 HydrophobicContact CB-CG 3.61Å; P206-A209 PolarHBondContact O-N 2.85Å; P206-A210 WeakPolarHBondContact O-CB 3.47Å; P206-A210 PolarHBondContact O-N 3.28Å; P206-V226 HydrophobicContact CB-CB 3.96Å; P206-V226 HydrophobicContact CB-CG1 3.66Å; P206-D235 HydrophobicContact CG-CB 4.28Å; P206-T237 WeakPolarHBondContact CB-OG1 3.35Å; P206-T237 WeakPolarHBondContact CG-OG1 3.47Å
207	T	93.8	Very high	92.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-66.6	-44.9	173.1	-59.6	0	0	0	0	110.8	I203 N204 E205 A209 A210 I211 L420 D422	I203-T207 HydrophobicContact CD1-CG2 4.42Å; I203-T207 HydrophobicContact CG1-CG2 4.34Å; N204-T207 WeakPolarHBondContact O-CA 3.41Å; N204-T207 WeakPolarHBondContact O-CB 3.46Å; N204-T207 PolarHBondContact O-N 3Å; N204-T207 VanDerWaalsContact O-N 3.09Å; E205-T207 VanDerWaalsContact C-N 3.27Å; E205-T207 PolarHBondContact O-N 3.44Å; T207-A209 PolarHBondContact O-N 3.46Å; T207-A210 WeakPolarHBondContact O-CB 3.24Å; T207-A210 PolarHBondContact O-N 2.99Å; T207-I211 WeakPolarHBondContact O-CG1 3.48Å; T207-I211 PolarHBondContact O-N 3.38Å; T207-L420 HydrophobicContact CG2-CD1 3.2Å; T207-L420 HydrophobicContact CG2-CD2 3.62Å; T207-L420 HydrophobicContact CG2-CG 4.01Å; T207-D422 PolarHBondContact OG1-OD2 3.12Å
208	A	95.9	Very high	90.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-60.6	-45.7	174	0	0	0	0	0	111.1	I203 N204 E205 A210 I211 A212 V398 G401	I203-A208 HydrophobicContact CD1-CB 4.03Å; I203-A208 HydrophobicContact CG1-CB 4.33Å; I203-A208 HydrophobicContact CG2-CB 4.28Å; N204-A208 PolarHBondContact O-N 3.49Å; E205-A208 WeakPolarHBondContact O-CB 3.48Å; E205-A208 PolarHBondContact O-N 2.96Å; A208-A210 VanDerWaalsContact C-N 3.29Å; A208-A210 PolarHBondContact O-N 3.17Å; A208-I211 WeakPolarHBondContact O-CB 3.41Å; A208-I211 PolarHBondContact O-N 3.16Å; A208-I211 VanDerWaalsContact O-N 3.14Å; A208-A212 PolarHBondContact O-N 3.38Å; A208-V398 HydrophobicContact CB-CG1 4.4Å; A208-V398 WeakPolarHBondContact CB-O 3.43Å; A208-G401 VanDerWaalsContact O-CA 3.23Å; A208-G401 WeakPolarHBondContact O-CA 3.48Å
209	A	95	Very high	89.9	Confident	0 Å²	0	35 Å²	35	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-63.1	-34.4	176.3	0	0	0	0	0	113.3	E205 P206 T207 A212 F213 V226 V366 A397 V398	E205-A209 PolarHBondContact O-N 3.34Å; P206-A209 PolarHBondContact O-N 2.85Å; T207-A209 PolarHBondContact O-N 3.46Å; A209-A212 PolarHBondContact O-N 3.03Å; A209-F213 PolarHBondContact O-N 3.5Å; A209-V226 HydrophobicContact CB-CG1 4.2Å; A209-V366 HydrophobicContact CB-CB 4.35Å; A209-V366 HydrophobicContact CB-CG1 4.03Å; A209-V366 HydrophobicContact CB-CG2 3.42Å; A209-V366 VanDerWaalsContact CB-CG2 3.42Å; A209-A397 HydrophobicContact CB-CB 4.29Å; A209-V398 HydrophobicContact CB-CG2 4.35Å
210	A	93.4	Very high	89.3	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63.4	-42.9	172.8	0	0	0	0	0	111.6	P206 T207 A208 A212 F213 G214 V226 L239 F246	P206-A210 WeakPolarHBondContact O-CB 3.47Å; P206-A210 PolarHBondContact O-N 3.28Å; T207-A210 WeakPolarHBondContact O-CB 3.24Å; T207-A210 PolarHBondContact O-N 2.99Å; A208-A210 VanDerWaalsContact C-N 3.29Å; A208-A210 PolarHBondContact O-N 3.17Å; A210-A212 PolarHBondContact O-N 3.41Å; A210-F213 PolarHBondContact O-N 2.78Å; A210-G214 PolarHBondContact O-N 2.97Å; A210-V226 HydrophobicContact CB-CG2 4.09Å; A210-L239 HydrophobicContact CB-CD1 4.1Å; A210-L239 HydrophobicContact CB-CD2 3.79Å; A210-F246 HydrophobicContact CB-CD1 4.39Å; A210-F246 WeakPolarHBondContact O-CE1 3.22Å
211	I	93.3	Very high	89.2	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-58.1	-47.9	173.9	-66.4	167.2	0	0	0	110.4	I203 T207 A208 F213 G214 M215 F246 V404 L418	I203-I211 HydrophobicContact CD1-CD1 3.8Å; T207-I211 WeakPolarHBondContact O-CG1 3.48Å; T207-I211 PolarHBondContact O-N 3.38Å; A208-I211 WeakPolarHBondContact O-CB 3.41Å; A208-I211 PolarHBondContact O-N 3.16Å; A208-I211 VanDerWaalsContact O-N 3.14Å; I211-F213 VanDerWaalsContact C-N 3.27Å; I211-F213 PolarHBondContact O-N 3.29Å; I211-G214 PolarHBondContact O-N 3.45Å; I211-M215 WeakPolarHBondContact O-CB 3.48Å; I211-M215 PolarHBondContact O-N 2.97Å; I211-F246 HydrophobicContact CG1-CD1 4.34Å; I211-F246 HydrophobicContact CG1-CE1 4.38Å; I211-V404 HydrophobicContact CG2-CB 3.71Å; I211-V404 HydrophobicContact CG2-CG1 3.62Å; I211-V404 HydrophobicContact CG2-CG2 4.17Å; I211-L418 HydrophobicContact CD1-CD2 4.14Å; I211-L418 HydrophobicContact CG1-CD1 4.35Å; I211-L418 HydrophobicContact CG2-CD1 3.92Å
212	A	93.2	Very high	89.2	Confident	19 Å²	19	40.3 Å²	40.3	16%	0.157	20%	0.202	C	C	.	.	H	α-helix	trans	-60.5	-36	178.2	0	0	0	0	0	112.9	A208 A209 A210 A397 Y400	A208-A212 PolarHBondContact O-N 3.38Å; A209-A212 PolarHBondContact O-N 3.03Å; A210-A212 PolarHBondContact O-N 3.41Å; A212-A397 HydrophobicContact CB-CB 4.25Å; A212-A397 VanDerWaalsContact CB-O 3.25Å; A212-A397 WeakPolarHBondContact CB-O 3.45Å; A212-Y400 HydrophobicContact CB-CD1 3.54Å; A212-Y400 HydrophobicContact CB-CE1 4.39Å; A212-Y400 HydrophobicContact CB-CG 3.98Å
213	F	91.1	Very high	89.2	Confident	16 Å²	16	41.3 Å²	41.3	7%	0.07	21%	0.208	C	C	.	.	H	α-helix	trans	-73.6	-40.3	175.1	177.1	-90.2	0	0	0	113	A209 A210 I211 K217 I224 I241 E362 V364 S389 I392	A209-F213 PolarHBondContact O-N 3.5Å; A210-F213 PolarHBondContact O-N 2.78Å; I211-F213 VanDerWaalsContact C-N 3.27Å; I211-F213 PolarHBondContact O-N 3.29Å; F213-K217 HydrophobicContact CE1-CG 4.22Å; F213-K217 WeakPolarHBondContact O-CG 3.39Å; F213-I224 HydrophobicContact CD1-CD1 3.42Å; F213-I224 VanDerWaalsContact CD1-CD1 3.42Å; F213-I224 HydrophobicContact CE1-CD1 3.2Å; F213-I224 HydrophobicContact CZ-CD1 4.29Å; F213-I241 HydrophobicContact CD1-CD1 4.49Å; F213-E362 HydrophobicContact CE1-CG 4.39Å; F213-E362 HydrophobicContact CZ-CB 4.22Å; F213-E362 HydrophobicContact CZ-CG 3.93Å; F213-V364 HydrophobicContact CB-CG1 4.48Å; F213-V364 HydrophobicContact CB-CG2 4.43Å; F213-V364 HydrophobicContact CD1-CG2 4.22Å; F213-V364 HydrophobicContact CD2-CG1 4.43Å; F213-V364 HydrophobicContact CD2-CG2 3.65Å; F213-V364 HydrophobicContact CE1-CG2 4.49Å; F213-V364 HydrophobicContact CE2-CG2 3.93Å; F213-V364 HydrophobicContact CG-CG2 3.8Å; F213-V364 HydrophobicContact CZ-CG2 4.33Å; F213-S389 WeakPolarHBondContact CE2-OG 3.1Å; F213-I392 HydrophobicContact CB-CG2 3.99Å; F213-I392 HydrophobicContact CD2-CG2 4.05Å
214	G	87.5	Confident	89.2	Confident	4 Å²	4	41.3 Å²	41.3	4%	0.041	21%	0.208	C	C	.	.	H	α-helix	trans	-93.9	-15.5	-165	0	0	0	0	0	115.9	A210 I211 D216 K217	A210-G214 PolarHBondContact O-N 2.97Å; I211-G214 PolarHBondContact O-N 3.45Å; G214-D216 VanDerWaalsContact C-N 3.26Å; G214-D216 PolarHBondContact O-N 2.98Å; G214-D216 VanDerWaalsContact O-N 3.17Å; G214-K217 WeakPolarHBondContact O-CB 3.39Å; G214-K217 PolarHBondContact O-N 3.47Å
215	M	81.9	Confident	89.4	Confident	46 Å²	46	40.9 Å²	40.9	23%	0.227	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-38.8	-172.4	-170.1	174.8	68.2	0	0	113.6	I211 Y400 V404	I211-M215 WeakPolarHBondContact O-CB 3.48Å; I211-M215 PolarHBondContact O-N 2.97Å; M215-Y400 HydrophobicContact CE-CE1 3.89Å; M215-Y400 VanDerWaalsContact CE-OH 3.24Å; M215-Y400 WeakPolarHBondContact CE-OH 3.4Å; M215-V404 HydrophobicContact CE-CG2 4.43Å; M215-V404 HydrophobicContact SD-CB 4.46Å; M215-V404 HydrophobicContact SD-CG1 3.92Å; M215-V404 HydrophobicContact SD-CG2 3.61Å
216	D	79.7	Confident	89.4	Confident	134 Å²	134	40.5 Å²	40.5	72%	0.717	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-0.2	179.7	-65.5	-37.7	0	0	0	113.8	G214 K218	G214-D216 VanDerWaalsContact C-N 3.26Å; G214-D216 PolarHBondContact O-N 2.98Å; G214-D216 VanDerWaalsContact O-N 3.17Å; D216-K218 PolarHBondContact O-N 3.17Å
217	K	76.7	Confident	89.6	Confident	81 Å²	81	40.5 Å²	40.5	35%	0.352	20%	0.204	S	C	.	.			trans	-88.9	112.7	-174.2	-64.7	-63.4	-172.7	-179.3	0	111	F213 G214	F213-K217 HydrophobicContact CE1-CG 4.22Å; F213-K217 WeakPolarHBondContact O-CG 3.39Å; G214-K217 WeakPolarHBondContact O-CB 3.39Å; G214-K217 PolarHBondContact O-N 3.47Å
218	K	70.5	Confident	89.7	Confident	177 Å²	177	40.8 Å²	40.8	77%	0.77	21%	0.205	S	C	*	.			trans	-111.5	20.7	177.6	-57.5	-172.1	-179.2	-175.6	0	113.5	D216 G220	D216-K218 PolarHBondContact O-N 3.17Å; K218-G220 VanDerWaalsContact C-N 3.26Å; K218-G220 PolarHBondContact O-N 2.93Å
219	E	76.7	Confident	89.8	Confident	122 Å²	122	40.8 Å²	40.8	57%	0.57	21%	0.205	S	C	*	.	S	Bend	trans	-90.4	37.1	-167.8	-64.5	175	-152.2	0	0	113.4	K222	E219-K222 IonicContact OE2-NZ 3.72Å; E219-K222 PolarHBondContact OE2-NZ 2.94Å
220	G	84	Confident	89.8	Confident	35 Å²	35	41.3 Å²	41.3	36%	0.361	21%	0.211	S	C	.	.	S	Bend	trans	69.1	-171.4	-176.6	0	0	0	0	0	114.1	K218 K222	K218-G220 VanDerWaalsContact C-N 3.26Å; K218-G220 PolarHBondContact O-N 2.93Å; G220-K222 PolarHBondContact O-N 3.07Å
221	E	92.5	Very high	89.9	Confident	140 Å²	140	42.1 Å²	42.1	65%	0.654	22%	0.22	S	C	*	.			trans	-64.4	124.3	-179.4	-172.4	-176.1	-175.4	0	0	111.6	T240 I241 D242	E221-T240 HydrophobicContact CG-CG2 3.49Å; E221-T240 VanDerWaalsContact CG-CG2 3.49Å; E221-I241 CarbonylContact C-O 3.59Å; E221-I241 WeakPolarHBondContact CA-O 3.31Å; E221-D242 HydrophobicContact CB-CB 4.26Å; E221-D242 HydrophobicContact CG-CB 4.37Å
222	K	93.6	Very high	89.9	Confident	45 Å²	45	42.1 Å²	42.1	20%	0.196	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	134.6	177	-70.5	-172.3	-178.4	-175.4	0	111.7	E219 G220 I224 T240 I241 A361	E219-K222 IonicContact OE2-NZ 3.72Å; E219-K222 PolarHBondContact OE2-NZ 2.94Å; G220-K222 PolarHBondContact O-N 3.07Å; K222-I224 HydrophobicContact CB-CG1 4.46Å; K222-T240 WeakPolarHBondContact O-CA 3.5Å; K222-I241 PolarHBondContact N-O 2.91Å; K222-I241 PolarHBondContact O-N 2.93Å; K222-A361 HydrophobicContact CB-CB 3.96Å; K222-A361 HydrophobicContact CD-CB 4.24Å; K222-A361 HydrophobicContact CG-CB 4.11Å
223	N	95.7	Very high	89.8	Confident	28 Å²	28	41.5 Å²	41.5	15%	0.15	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	126.9	168.5	-57.6	-37.5	0	0	0	110.2	L239 T240 L355 D359 A361 E362	N223-L239 CarbonylContact C-O 3.58Å; N223-L239 WeakPolarHBondContact CA-O 3.32Å; N223-T240 PolarHBondContact OD1-OG1 2.84Å; N223-L355 HydrophobicContact CB-CD1 4.32Å; N223-D359 WeakPolarHBondContact CB-O 3.47Å; N223-D359 PolarHBondContact ND2-O 2.78Å; N223-A361 WeakPolarHBondContact O-CB 3.37Å; N223-A361 PolarHBondContact O-N 2.63Å; N223-E362 PolarHBondContact O-N 2.93Å
224	I	95.1	Very high	90	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.015	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	128.5	-175.6	-51.3	-155.7	0	0	0	108.9	F213 K222 L238 L239 I241 E362 V364	F213-I224 HydrophobicContact CD1-CD1 3.42Å; F213-I224 VanDerWaalsContact CD1-CD1 3.42Å; F213-I224 HydrophobicContact CE1-CD1 3.2Å; F213-I224 HydrophobicContact CZ-CD1 4.29Å; K222-I224 HydrophobicContact CB-CG1 4.46Å; I224-L238 WeakPolarHBondContact O-CA 3.48Å; I224-L239 PolarHBondContact N-O 2.85Å; I224-L239 PolarHBondContact O-N 3.02Å; I224-I241 HydrophobicContact CD1-CD1 3.38Å; I224-I241 HydrophobicContact CD1-CG1 4.06Å; I224-I241 HydrophobicContact CG1-CD1 4.06Å; I224-I241 HydrophobicContact CG1-CG1 4.25Å; I224-E362 WeakPolarHBondContact CA-O 3.44Å; I224-E362 HydrophobicContact CD1-CB 4.37Å; I224-E362 HydrophobicContact CG1-CB 4.4Å; I224-E362 HydrophobicContact CG2-CB 4.22Å; I224-V364 HydrophobicContact CG2-CB 4.29Å; I224-V364 HydrophobicContact CG2-CG2 3.5Å; I224-V364 VanDerWaalsContact CG2-CG2 3.5Å
225	L	97.4	Very high	90.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	114.8	171.9	-174.1	130.7	0	0	0	109.4	V236 T237 L238 V346 V349 V360 E362 V363 V364 F383	L225-V236 HydrophobicContact CD1-CG1 3.8Å; L225-V236 HydrophobicContact CD2-CG1 3.87Å; L225-V236 HydrophobicContact CG-CG1 3.8Å; L225-T237 CarbonylContact C-O 3.54Å; L225-T237 WeakPolarHBondContact CA-O 3.08Å; L225-L238 HydrophobicContact CB-CD1 3.87Å; L225-L238 HydrophobicContact CD1-CD1 4.19Å; L225-V346 HydrophobicContact CD1-CG1 4.14Å; L225-V349 HydrophobicContact CD1-CG2 3.85Å; L225-V360 HydrophobicContact CB-CG1 3.79Å; L225-E362 PolarHBondContact N-O 3.43Å; L225-V363 HydrophobicContact CD2-CG1 4.06Å; L225-V363 CarbonylContact O-C 3.58Å; L225-V363 WeakPolarHBondContact O-CA 3.38Å; L225-V364 PolarHBondContact O-N 3.16Å; L225-F383 HydrophobicContact CD1-CZ 3.98Å; L225-F383 HydrophobicContact CD2-CE2 4.25Å; L225-F383 HydrophobicContact CD2-CZ 4.23Å
226	V	97.1	Very high	91	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	123	170.5	-176.5	0	0	0	0	108.3	P206 A209 A210 V236 T237 L239 V364 V366	P206-V226 HydrophobicContact CB-CB 3.96Å; P206-V226 HydrophobicContact CB-CG1 3.66Å; A209-V226 HydrophobicContact CB-CG1 4.2Å; A210-V226 HydrophobicContact CB-CG2 4.09Å; V226-V236 VanDerWaalsContact O-CA 3.31Å; V226-V236 WeakPolarHBondContact O-CA 3.43Å; V226-T237 PolarHBondContact N-O 3.44Å; V226-T237 PolarHBondContact O-N 3.15Å; V226-L239 HydrophobicContact CG2-CD1 3.9Å; V226-V364 HydrophobicContact CG2-CB 4.38Å; V226-V366 HydrophobicContact CG1-CB 4.48Å; V226-V366 HydrophobicContact CG1-CG2 3.69Å
227	Y	97.4	Very high	91.9	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	104.6	174.4	-177.3	-79.2	0	0	0	107.7	L229 F234 V236 T342 M343 V346 V364 L365 V366 T370 V375 L379	Y227-L229 HydrophobicContact CD1-CB 4.36Å; Y227-L229 HydrophobicContact CE1-CB 3.78Å; Y227-L229 HydrophobicContact CE1-CD2 4.28Å; Y227-F234 HydrophobicContact CD1-CE2 4.04Å; Y227-F234 AromaticContact CD2-CE2 3.69Å; Y227-F234 HydrophobicContact CD2-CE2 3.69Å; Y227-F234 AromaticContact CD2-CZ 3.83Å; Y227-F234 HydrophobicContact CD2-CZ 3.83Å; Y227-F234 HydrophobicContact CE1-CD2 4.43Å; Y227-F234 AromaticContact CE1-CE2 3.68Å; Y227-F234 HydrophobicContact CE1-CE2 3.68Å; Y227-F234 HydrophobicContact CE1-CZ 4.47Å; Y227-F234 AromaticContact CE2-CE2 3.33Å; Y227-F234 HydrophobicContact CE2-CE2 3.33Å; Y227-F234 AromaticContact CE2-CZ 3.31Å; Y227-F234 HydrophobicContact CE2-CZ 3.31Å; Y227-F234 HydrophobicContact CG-CE2 4.05Å; Y227-F234 AromaticContact CZ-CE2 3.32Å; Y227-F234 AromaticContact CZ-CZ 3.7Å; Y227-V236 HydrophobicContact CD2-CG2 4.05Å; Y227-T342 WeakPolarHBondContact OH-CB 3.16Å; Y227-T342 WeakPolarHBondContact OH-CG2 3.47Å; Y227-T342 PolarHBondContact OH-OG1 3.35Å; Y227-M343 HydrophobicContact CE2-CE 3.7Å; Y227-V346 HydrophobicContact CD2-CG2 3.81Å; Y227-V346 HydrophobicContact CE2-CG2 3.91Å; Y227-V364 PolarHBondContact N-O 2.85Å; Y227-L365 HydrophobicContact CD1-CD2 4.26Å; Y227-L365 HydrophobicContact CG-CD2 4.49Å; Y227-V366 PolarHBondContact O-N 2.83Å; Y227-T370 HydrophobicContact CD1-CG2 3.78Å; Y227-T370 HydrophobicContact CE1-CG2 4.03Å; Y227-V375 HydrophobicContact CE1-CG1 3.64Å; Y227-V375 WeakPolarHBondContact OH-CG1 3.38Å; Y227-L379 HydrophobicContact CD1-CD1 3.77Å; Y227-L379 HydrophobicContact CD2-CD1 3.77Å; Y227-L379 HydrophobicContact CD2-CD2 3.62Å; Y227-L379 HydrophobicContact CD2-CG 4.17Å; Y227-L379 HydrophobicContact CE1-CD1 3.94Å; Y227-L379 HydrophobicContact CE2-CD1 3.91Å; Y227-L379 HydrophobicContact CE2-CD2 3.8Å; Y227-L379 HydrophobicContact CE2-CG 4.09Å; Y227-L379 HydrophobicContact CG-CD1 3.67Å; Y227-L379 HydrophobicContact CG-CD2 4.28Å
228	D	96.9	Very high	92.8	Very high	6 Å²	6	28.2 Å²	28.2	3%	0.032	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	106.7	-177.2	-166.6	-15.5	0	0	0	110.3	F234 D235 V366	D228-F234 CarbonylContact O-C 3.47Å; D228-F234 VanDerWaalsContact O-CA 3.31Å; D228-F234 WeakPolarHBondContact O-CA 3.39Å; D228-F234 WeakPolarHBondContact O-CD2 3.25Å; D228-D235 HydrophobicContact CB-CB 4.44Å; D228-D235 PolarHBondContact N-O 2.8Å; D228-D235 PolarHBondContact O-N 3.1Å; D228-V366 WeakPolarHBondContact CA-O 3.31Å; D228-V366 HydrophobicContact CB-CB 4Å; D228-V366 HydrophobicContact CB-CG1 4.37Å; D228-V366 WeakPolarHBondContact OD2-CG1 3.46Å
229	L	97.2	Very high	94	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	96.3	176.5	-174.3	66.5	0	0	0	108.8	Y227 F234 F262 T342 V366 G367 S369 T370 V375	Y227-L229 HydrophobicContact CD1-CB 4.36Å; Y227-L229 HydrophobicContact CE1-CB 3.78Å; Y227-L229 HydrophobicContact CE1-CD2 4.28Å; L229-F234 HydrophobicContact CB-CD2 3.94Å; L229-F234 HydrophobicContact CB-CE2 4.46Å; L229-F234 HydrophobicContact CD1-CB 3.7Å; L229-F234 HydrophobicContact CD1-CD2 3.58Å; L229-F234 HydrophobicContact CD1-CG 3.84Å; L229-F234 HydrophobicContact CG-CD2 4.31Å; L229-F262 HydrophobicContact CD2-CE2 4.11Å; L229-F262 HydrophobicContact CD2-CZ 4.11Å; L229-T342 HydrophobicContact CD1-CG2 4.4Å; L229-V366 PolarHBondContact N-O 3.13Å; L229-G367 CarbonylContact O-C 3.48Å; L229-G367 WeakPolarHBondContact O-CA 3.19Å; L229-S369 VanDerWaalsContact O-CB 3.23Å; L229-S369 WeakPolarHBondContact O-CB 3.44Å; L229-S369 PolarHBondContact O-N 3.01Å; L229-T370 HydrophobicContact CB-CG2 3.87Å; L229-V375 HydrophobicContact CD2-CG1 4.23Å; L229-V375 HydrophobicContact CD2-CG2 4.06Å
230	G	96	Very high	94.9	Very high	12 Å²	12	14.7 Å²	14.7	12%	0.124	9%	0.088	C	C	.	.			trans	-87.7	-153.6	-176	0	0	0	0	0	113.9	T233 G259 S369	G230-T233 PolarHBondContact N-O 2.78Å; G230-G259 PolarHBondContact O-N 3.4Å; G230-S369 PolarHBondContact O-OG 2.82Å
231	G	94.3	Very high	95.3	Very high	17 Å²	17	13.3 Å²	13.3	18%	0.175	7%	0.072	C	C	.	.	S	Bend	trans	-78.5	-34.1	175.4	0	0	0	0	0	113.5	T43 G258 G259 E260	T43-G231 WeakPolarHBondContact OG1-CA 3.29Å; G231-G258 CarbonylContact O-C 3.59Å; G231-G259 PolarHBondContact O-N 3.47Å; G231-E260 PolarHBondContact O-N 3.35Å
232	G	93.1	Very high	95.3	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.057	C	C	.	.	S	Bend	trans	-133.6	-11.7	-176.5	0	0	0	0	0	116.1	R102 L257	R102-G232 PolarHBondContact NE-O 3.26Å; R102-G232 PolarHBondContact NH2-O 3.46Å; G232-L257 CarbonylContact C-O 3.53Å; G232-L257 PolarHBondContact O-N 3.06Å
233	T	92.2	Very high	94.9	Very high	6 Å²	6	12.5 Å²	12.5	4%	0.037	8%	0.075	C	C	.	.			trans	-131.5	153.1	-175.4	54.7	0	0	0	0	111	P177 G230 L257	P177-T233 HydrophobicContact CB-CG2 4.33Å; P177-T233 HydrophobicContact CG-CG2 3.8Å; G230-T233 PolarHBondContact N-O 2.78Å; T233-L257 CarbonylContact C-O 3.49Å; T233-L257 VanDerWaalsContact CA-O 3.26Å; T233-L257 WeakPolarHBondContact CA-O 3.48Å; T233-L257 PolarHBondContact N-O 3.48Å
234	F	95.4	Very high	94.5	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	120.6	175	175	-124.1	0	0	0	109.8	Y227 D228 L229 V236 G253 D254 L257 T342 P345	Y227-F234 HydrophobicContact CD1-CE2 4.04Å; Y227-F234 AromaticContact CD2-CE2 3.69Å; Y227-F234 HydrophobicContact CD2-CE2 3.69Å; Y227-F234 AromaticContact CD2-CZ 3.83Å; Y227-F234 HydrophobicContact CD2-CZ 3.83Å; Y227-F234 HydrophobicContact CE1-CD2 4.43Å; Y227-F234 AromaticContact CE1-CE2 3.68Å; Y227-F234 HydrophobicContact CE1-CE2 3.68Å; Y227-F234 HydrophobicContact CE1-CZ 4.47Å; Y227-F234 AromaticContact CE2-CE2 3.33Å; Y227-F234 HydrophobicContact CE2-CE2 3.33Å; Y227-F234 AromaticContact CE2-CZ 3.31Å; Y227-F234 HydrophobicContact CE2-CZ 3.31Å; Y227-F234 HydrophobicContact CG-CE2 4.05Å; Y227-F234 AromaticContact CZ-CE2 3.32Å; Y227-F234 AromaticContact CZ-CZ 3.7Å; D228-F234 CarbonylContact O-C 3.47Å; D228-F234 VanDerWaalsContact O-CA 3.31Å; D228-F234 WeakPolarHBondContact O-CA 3.39Å; D228-F234 WeakPolarHBondContact O-CD2 3.25Å; L229-F234 HydrophobicContact CB-CD2 3.94Å; L229-F234 HydrophobicContact CB-CE2 4.46Å; L229-F234 HydrophobicContact CD1-CB 3.7Å; L229-F234 HydrophobicContact CD1-CD2 3.58Å; L229-F234 HydrophobicContact CD1-CG 3.84Å; L229-F234 HydrophobicContact CG-CD2 4.31Å; F234-V236 HydrophobicContact CE1-CG2 3.85Å; F234-V236 HydrophobicContact CE2-CG2 3.74Å; F234-V236 HydrophobicContact CZ-CG2 3.19Å; F234-G253 CarbonylContact O-C 3.54Å; F234-G253 WeakPolarHBondContact O-CA 3.38Å; F234-D254 PolarHBondContact N-O 2.79Å; F234-D254 PolarHBondContact O-N 3.19Å; F234-L257 HydrophobicContact CB-CB 4.16Å; F234-L257 HydrophobicContact CB-CD2 4.17Å; F234-L257 HydrophobicContact CB-CG 4.24Å; F234-L257 HydrophobicContact CD1-CD2 4.09Å; F234-L257 HydrophobicContact CG-CD2 4.35Å; F234-L257 PolarHBondContact N-O 2.77Å; F234-T342 HydrophobicContact CD1-CG2 4.26Å; F234-T342 VanDerWaalsContact CE1-CA 3.44Å; F234-T342 HydrophobicContact CE1-CG2 4.13Å; F234-T342 VanDerWaalsContact CE1-O 3.26Å; F234-T342 WeakPolarHBondContact CE1-O 3.35Å; F234-T342 HydrophobicContact CE2-CG2 4.48Å; F234-T342 HydrophobicContact CG-CG2 4.47Å; F234-T342 HydrophobicContact CZ-CG2 4.25Å; F234-T342 VanDerWaalsContact CZ-O 3.27Å; F234-T342 WeakPolarHBondContact CZ-O 3.4Å; F234-P345 HydrophobicContact CD1-CG 4.15Å; F234-P345 HydrophobicContact CE1-CB 3.85Å; F234-P345 HydrophobicContact CE1-CG 3.65Å
235	D	94.1	Very high	94.3	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	145.2	174.9	-70.7	-55.8	0	0	0	110.8	P177 A178 Y179 P206 D228	P177-D235 WeakPolarHBondContact CA-OD2 3.35Å; P177-D235 WeakPolarHBondContact CB-OD2 3.48Å; A178-D235 HydrophobicContact CB-CB 4.37Å; A178-D235 PolarHBondContact N-OD2 3.4Å; Y179-D235 WeakPolarHBondContact CB-OD1 3.49Å; Y179-D235 PolarHBondContact N-OD1 2.99Å; P206-D235 HydrophobicContact CG-CB 4.28Å; D228-D235 HydrophobicContact CB-CB 4.44Å; D228-D235 PolarHBondContact N-O 2.8Å; D228-D235 PolarHBondContact O-N 3.1Å
236	V	96.4	Very high	94.1	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	128	167.5	-170.6	0	0	0	0	107.6	L225 V226 Y227 F234 T251 A252 P345 V346 V349	L225-V236 HydrophobicContact CD1-CG1 3.8Å; L225-V236 HydrophobicContact CD2-CG1 3.87Å; L225-V236 HydrophobicContact CG-CG1 3.8Å; V226-V236 VanDerWaalsContact O-CA 3.31Å; V226-V236 WeakPolarHBondContact O-CA 3.43Å; Y227-V236 HydrophobicContact CD2-CG2 4.05Å; F234-V236 HydrophobicContact CE1-CG2 3.85Å; F234-V236 HydrophobicContact CE2-CG2 3.74Å; F234-V236 HydrophobicContact CZ-CG2 3.19Å; V236-T251 WeakPolarHBondContact O-CA 3.4Å; V236-T251 PolarHBondContact O-OG1 2.9Å; V236-A252 PolarHBondContact N-O 3.43Å; V236-A252 PolarHBondContact O-N 2.85Å; V236-A252 VanDerWaalsContact O-O 3.11Å; V236-P345 HydrophobicContact CB-CB 4.41Å; V236-P345 HydrophobicContact CG2-CB 3.93Å; V236-V346 HydrophobicContact CG1-CG2 4.17Å; V236-V346 HydrophobicContact CG2-CG2 3.82Å; V236-V349 HydrophobicContact CB-CG1 4.36Å; V236-V349 HydrophobicContact CB-CG2 4.46Å; V236-V349 HydrophobicContact CG1-CG1 4.44Å; V236-V349 HydrophobicContact CG1-CG2 3.72Å; V236-V349 WeakPolarHBondContact O-CG1 3.23Å
237	T	96.8	Very high	94	Very high	1 Å²	1	18 Å²	18	1%	0.006	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	133.7	175.8	-56.9	0	0	0	0	109.5	P206 L225 V226 L239 V248 A250 T251	P206-T237 WeakPolarHBondContact CB-OG1 3.35Å; P206-T237 WeakPolarHBondContact CG-OG1 3.47Å; L225-T237 CarbonylContact C-O 3.54Å; L225-T237 WeakPolarHBondContact CA-O 3.08Å; V226-T237 PolarHBondContact N-O 3.44Å; V226-T237 PolarHBondContact O-N 3.15Å; T237-L239 HydrophobicContact CG2-CD1 3.47Å; T237-L239 VanDerWaalsContact CG2-CD1 3.47Å; T237-L239 HydrophobicContact CG2-CD2 4.5Å; T237-L239 HydrophobicContact CG2-CG 3.82Å; T237-V248 HydrophobicContact CG2-CB 4.41Å; T237-V248 HydrophobicContact CG2-CG1 3.46Å; T237-V248 VanDerWaalsContact CG2-CG1 3.46Å; T237-V248 HydrophobicContact CG2-CG2 4.17Å; T237-A250 WeakPolarHBondContact CA-O 3.23Å; T237-T251 PolarHBondContact OG1-OG1 3.13Å
238	L	97.2	Very high	93.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	122.9	172.3	-171.1	67.1	0	0	0	108.3	I224 L225 L249 A250 V349 L350 A353 L355 V360	I224-L238 WeakPolarHBondContact O-CA 3.48Å; L225-L238 HydrophobicContact CB-CD1 3.87Å; L225-L238 HydrophobicContact CD1-CD1 4.19Å; L238-L249 HydrophobicContact CG-CD1 4.47Å; L238-L249 WeakPolarHBondContact O-CB 3.4Å; L238-L249 PolarHBondContact O-N 2.88Å; L238-A250 PolarHBondContact N-O 3.42Å; L238-A250 PolarHBondContact O-N 2.94Å; L238-V349 HydrophobicContact CB-CB 4.41Å; L238-V349 HydrophobicContact CB-CG2 4.4Å; L238-L350 HydrophobicContact CD2-CD2 4.09Å; L238-A353 HydrophobicContact CD2-CB 3.58Å; L238-L355 HydrophobicContact CD2-CB 4.23Å; L238-L355 HydrophobicContact CD2-CD1 3.65Å; L238-L355 HydrophobicContact CD2-CG 4.43Å; L238-L355 HydrophobicContact CG-CD1 4.43Å; L238-V360 HydrophobicContact CD1-CG2 3.9Å
239	L	95.8	Very high	93.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	151.9	-178.2	-53.7	89.9	0	0	0	110.8	A210 N223 I224 V226 T237 E247 V248	A210-L239 HydrophobicContact CB-CD1 4.1Å; A210-L239 HydrophobicContact CB-CD2 3.79Å; N223-L239 CarbonylContact C-O 3.58Å; N223-L239 WeakPolarHBondContact CA-O 3.32Å; I224-L239 PolarHBondContact N-O 2.85Å; I224-L239 PolarHBondContact O-N 3.02Å; V226-L239 HydrophobicContact CG2-CD1 3.9Å; T237-L239 HydrophobicContact CG2-CD1 3.47Å; T237-L239 VanDerWaalsContact CG2-CD1 3.47Å; T237-L239 HydrophobicContact CG2-CD2 4.5Å; T237-L239 HydrophobicContact CG2-CG 3.82Å; L239-E247 CarbonylContact C-O 3.53Å; L239-E247 WeakPolarHBondContact CA-O 3.46Å; L239-E247 WeakPolarHBondContact CB-O 3.24Å; L239-V248 HydrophobicContact CD2-CB 4.46Å; L239-V248 HydrophobicContact CD2-CG2 3.46Å; L239-V248 VanDerWaalsContact CD2-CG2 3.46Å; L239-V248 HydrophobicContact CG-CB 4.41Å; L239-V248 HydrophobicContact CG-CG2 3.86Å
240	T	95.3	Very high	93.7	Very high	15 Å²	15	19.9 Å²	19.9	9%	0.092	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	130.9	164.8	-58.6	0	0	0	0	108.8	E221 K222 N223 E247 L249	E221-T240 HydrophobicContact CG-CG2 3.49Å; E221-T240 VanDerWaalsContact CG-CG2 3.49Å; K222-T240 WeakPolarHBondContact O-CA 3.5Å; N223-T240 PolarHBondContact OD1-OG1 2.84Å; T240-E247 PolarHBondContact N-O 2.95Å; T240-E247 PolarHBondContact O-N 3.04Å; T240-L249 WeakPolarHBondContact OG1-CD1 3.37Å
241	I	92.8	Very high	93.6	Very high	6 Å²	6	19.4 Å²	19.4	3%	0.031	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	123.4	172.8	-53.5	-174.8	0	0	0	108.2	F213 E221 K222 I224 V245 F246	F213-I241 HydrophobicContact CD1-CD1 4.49Å; E221-I241 CarbonylContact C-O 3.59Å; E221-I241 WeakPolarHBondContact CA-O 3.31Å; K222-I241 PolarHBondContact N-O 2.91Å; K222-I241 PolarHBondContact O-N 2.93Å; I224-I241 HydrophobicContact CD1-CD1 3.38Å; I224-I241 HydrophobicContact CD1-CG1 4.06Å; I224-I241 HydrophobicContact CG1-CD1 4.06Å; I224-I241 HydrophobicContact CG1-CG1 4.25Å; I241-V245 WeakPolarHBondContact CA-O 3.38Å; I241-F246 HydrophobicContact CD1-CD1 3.79Å; I241-F246 HydrophobicContact CD1-CE1 3.57Å; I241-F246 HydrophobicContact CG1-CD1 3.81Å; I241-F246 HydrophobicContact CG1-CE1 4.03Å; I241-F246 HydrophobicContact CG2-CD1 4.34Å; I241-F246 HydrophobicContact CG2-CE1 4.05Å; I241-F246 HydrophobicContact CG2-CZ 4.21Å
242	D	91.7	Very high	93.4	Very high	64 Å²	64	18.7 Å²	18.7	34%	0.342	10%	0.104	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	107.6	172.5	-177.1	18.6	0	0	0	110.2	E221 G244 V245	E221-D242 HydrophobicContact CB-CB 4.26Å; E221-D242 HydrophobicContact CG-CB 4.37Å; D242-G244 PolarHBondContact O-N 2.8Å; D242-V245 PolarHBondContact N-O 3.18Å; D242-V245 VanDerWaalsContact O-CB 3.31Å; D242-V245 WeakPolarHBondContact O-CB 3.37Å; D242-V245 PolarHBondContact O-N 3.44Å
243	N	86	Confident	93.3	Very high	105 Å²	105	19.4 Å²	19.4	56%	0.561	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	47	48.8	171.9	-64.3	-49.6	0	0	0	115.2	V245	N243-V245 VanDerWaalsContact C-N 3.35Å
244	G	86.2	Confident	93	Very high	19 Å²	19	22.4 Å²	22.4	20%	0.196	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.2	-6.9	179.7	0	0	0	0	0	114.6	D242 F246 L418 V419	D242-G244 PolarHBondContact O-N 2.8Å; G244-F246 VanDerWaalsContact O-CD2 3.24Å; G244-F246 WeakPolarHBondContact O-CD2 3.26Å; G244-F246 WeakPolarHBondContact O-CE2 3.38Å; G244-L418 WeakPolarHBondContact O-CA 3.42Å; G244-V419 PolarHBondContact O-N 3.37Å
245	V	91.2	Very high	92.5	Very high	49 Å²	49	23.4 Å²	23.4	30%	0.297	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	125.1	168.5	-173.2	0	0	0	0	109.3	I241 D242 N243 V419 L421	I241-V245 WeakPolarHBondContact CA-O 3.38Å; D242-V245 PolarHBondContact N-O 3.18Å; D242-V245 VanDerWaalsContact O-CB 3.31Å; D242-V245 WeakPolarHBondContact O-CB 3.37Å; D242-V245 PolarHBondContact O-N 3.44Å; N243-V245 VanDerWaalsContact C-N 3.35Å; V245-V419 CarbonylContact C-O 3.52Å; V245-V419 WeakPolarHBondContact CA-O 3.37Å; V245-V419 HydrophobicContact CG2-CB 4.29Å; V245-L421 HydrophobicContact CG1-CD1 4.44Å
246	F	93.3	Very high	92.1	Very high	1 Å²	1	25.5 Å²	25.5	0%	0.004	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	110.7	177.8	-63.5	-105.5	0	0	0	108.2	A210 I211 I241 G244 L418 V419 L420 L421	A210-F246 HydrophobicContact CB-CD1 4.39Å; A210-F246 WeakPolarHBondContact O-CE1 3.22Å; I211-F246 HydrophobicContact CG1-CD1 4.34Å; I211-F246 HydrophobicContact CG1-CE1 4.38Å; I241-F246 HydrophobicContact CD1-CD1 3.79Å; I241-F246 HydrophobicContact CD1-CE1 3.57Å; I241-F246 HydrophobicContact CG1-CD1 3.81Å; I241-F246 HydrophobicContact CG1-CE1 4.03Å; I241-F246 HydrophobicContact CG2-CD1 4.34Å; I241-F246 HydrophobicContact CG2-CE1 4.05Å; I241-F246 HydrophobicContact CG2-CZ 4.21Å; G244-F246 VanDerWaalsContact O-CD2 3.24Å; G244-F246 WeakPolarHBondContact O-CD2 3.26Å; G244-F246 WeakPolarHBondContact O-CE2 3.38Å; F246-L418 HydrophobicContact CD2-CD1 3.9Å; F246-L418 HydrophobicContact CD2-CG 4.31Å; F246-L418 HydrophobicContact CE2-CD1 3.35Å; F246-L418 HydrophobicContact CE2-CG 4.19Å; F246-L418 HydrophobicContact CZ-CD1 4.05Å; F246-V419 PolarHBondContact N-O 2.9Å; F246-L420 HydrophobicContact CB-CD1 3.96Å; F246-L421 PolarHBondContact O-N 3.44Å
247	E	94.7	Very high	92	Very high	78 Å²	78	25.8 Å²	25.8	36%	0.364	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	118.3	179.7	-176.3	176.5	178.3	0	0	110.5	L239 T240 L249 L421	L239-E247 CarbonylContact C-O 3.53Å; L239-E247 WeakPolarHBondContact CA-O 3.46Å; L239-E247 WeakPolarHBondContact CB-O 3.24Å; T240-E247 PolarHBondContact N-O 2.95Å; T240-E247 PolarHBondContact O-N 3.04Å; E247-L249 HydrophobicContact CG-CD2 4.37Å; E247-L249 PolarHBondContact O-N 3.38Å; E247-L421 WeakPolarHBondContact CA-O 3.47Å; E247-L421 HydrophobicContact CB-CB 4.32Å; E247-L421 HydrophobicContact CB-CD1 4.41Å; E247-L421 HydrophobicContact CG-CB 4.21Å; E247-L421 HydrophobicContact CG-CD1 4.34Å
248	V	95.4	Very high	91.9	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.012	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	119.4	172.9	179.2	0	0	0	0	109.1	T237 L239 L421 D422 V423	T237-V248 HydrophobicContact CG2-CB 4.41Å; T237-V248 HydrophobicContact CG2-CG1 3.46Å; T237-V248 VanDerWaalsContact CG2-CG1 3.46Å; T237-V248 HydrophobicContact CG2-CG2 4.17Å; L239-V248 HydrophobicContact CD2-CB 4.46Å; L239-V248 HydrophobicContact CD2-CG2 3.46Å; L239-V248 VanDerWaalsContact CD2-CG2 3.46Å; L239-V248 HydrophobicContact CG-CB 4.41Å; L239-V248 HydrophobicContact CG-CG2 3.86Å; V248-L421 PolarHBondContact N-O 3.35Å; V248-D422 HydrophobicContact CG2-CB 4.45Å; V248-V423 HydrophobicContact CB-CG1 4.17Å; V248-V423 HydrophobicContact CB-CG2 4.2Å; V248-V423 HydrophobicContact CG1-CB 4.49Å; V248-V423 HydrophobicContact CG1-CG1 4.27Å; V248-V423 HydrophobicContact CG1-CG2 3.54Å; V248-V423 WeakPolarHBondContact O-CG1 3.43Å
249	L	96	Very high	91.9	Very high	43 Å²	43	25.8 Å²	25.8	23%	0.225	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-43.1	177.6	-57.5	-177.7	0	0	0	111.7	L238 T240 E247 A353 L355	L238-L249 HydrophobicContact CG-CD1 4.47Å; L238-L249 WeakPolarHBondContact O-CB 3.4Å; L238-L249 PolarHBondContact O-N 2.88Å; T240-L249 WeakPolarHBondContact OG1-CD1 3.37Å; E247-L249 HydrophobicContact CG-CD2 4.37Å; E247-L249 PolarHBondContact O-N 3.38Å; L249-A353 HydrophobicContact CB-CB 3.85Å; L249-A353 HydrophobicContact CD1-CB 4.24Å; L249-L355 HydrophobicContact CD1-CD1 3.63Å
250	A	94.9	Very high	91.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	145.9	-179.7	0	0	0	0	0	111.7	T237 L238 V349 D352 A353 N444	T237-A250 WeakPolarHBondContact CA-O 3.23Å; L238-A250 PolarHBondContact N-O 3.42Å; L238-A250 PolarHBondContact O-N 2.94Å; A250-V349 HydrophobicContact CB-CB 4.03Å; A250-V349 HydrophobicContact CB-CG1 4.37Å; A250-V349 WeakPolarHBondContact CB-O 3.43Å; A250-D352 HydrophobicContact CB-CB 3.74Å; A250-A353 HydrophobicContact CB-CB 4.17Å; A250-N444 WeakPolarHBondContact CA-OD1 3.49Å
251	T	93.5	Very high	92	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.012	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	145.7	172.3	-167.2	0	0	0	0	111.6	A178 V236 T237 V423 P425 N444	A178-T251 WeakPolarHBondContact CB-OG1 3.05Å; V236-T251 WeakPolarHBondContact O-CA 3.4Å; V236-T251 PolarHBondContact O-OG1 2.9Å; T237-T251 PolarHBondContact OG1-OG1 3.13Å; T251-V423 HydrophobicContact CG2-CG2 4.21Å; T251-P425 HydrophobicContact CG2-CB 3.86Å; T251-N444 PolarHBondContact N-OD1 3.44Å; T251-N444 VanDerWaalsContact N-OD1 3.1Å
252	A	90.3	Very high	92.2	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.008	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	153.3	173	0	0	0	0	0	109.6	V236 P345 K348 V349	V236-A252 PolarHBondContact N-O 3.43Å; V236-A252 PolarHBondContact O-N 2.85Å; V236-A252 VanDerWaalsContact O-O 3.11Å; A252-P345 HydrophobicContact CB-CB 4.02Å; A252-K348 HydrophobicContact CB-CB 4.38Å; A252-K348 HydrophobicContact CB-CD 3.92Å; A252-K348 HydrophobicContact CB-CG 4.33Å; A252-V349 HydrophobicContact CB-CG1 3.71Å
253	G	89.8	Confident	92.5	Very high	15 Å²	15	23.8 Å²	23.8	16%	0.155	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.5	-170.1	-178.6	0	0	0	0	0	113.7	F234	F234-G253 CarbonylContact O-C 3.54Å; F234-G253 WeakPolarHBondContact O-CA 3.38Å
254	D	87.4	Confident	93	Very high	69 Å²	69	20.3 Å²	20.3	37%	0.369	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	110.3	170.8	-171.5	-20.9	0	0	0	108.3	F234 H256 L257	F234-D254 PolarHBondContact N-O 2.79Å; F234-D254 PolarHBondContact O-N 3.19Å; D254-H256 PolarHBondContact O-N 2.91Å; D254-H256 VanDerWaalsContact O-N 3.11Å; D254-H256 PolarHBondContact OD1-N 2.82Å; D254-L257 HydrophobicContact CB-CB 3.88Å; D254-L257 HydrophobicContact CB-CD2 4.39Å
255	T	83.6	Confident	93.6	Very high	22 Å²	22	23.5 Å²	23.5	14%	0.135	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	6.4	-177.9	62.9	0	0	0	0	113.3	R106 Y179 F180	R106-T255 PolarHBondContact NH2-OG1 3.36Å; Y179-T255 HydrophobicContact CD1-CG2 4.38Å; Y179-T255 WeakPolarHBondContact O-CG2 3.2Å; F180-T255 HydrophobicContact CD1-CG2 4.09Å
256	H	86.4	Confident	93.9	Very high	44 Å²	44	21.2 Å²	21.2	20%	0.204	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.7	45.1	178.9	-168.4	89.2	0	0	0	111.3	R102 D116 D254	R102-H256 PolarHBondContact NH1-CE1 2.92Å; R102-H256 PolarHBondContact NH1-ND1 3.29Å; R102-H256 VanDerWaalsContact NH2-C 3.34Å; D116-H256 IonicContact OD1-CE1 3.11Å; D116-H256 PolarHBondContact OD1-CE1 3.48Å; D116-H256 IonicContact OD1-NE2 2.92Å; D116-H256 IonicContact OD2-CE1 3.79Å; D116-H256 PolarHBondContact OD2-CE1 3.08Å; D116-H256 IonicContact OD2-ND1 2.73Å; D116-H256 PolarHBondContact OD2-ND1 3.09Å; D254-H256 PolarHBondContact O-N 2.91Å; D254-H256 VanDerWaalsContact O-N 3.11Å; D254-H256 PolarHBondContact OD1-N 2.82Å
257	L	93.1	Very high	94.2	Very high	5 Å²	5	21.2 Å²	21.2	3%	0.026	11%	0.106	C	C	.	.			trans	-141.5	123	174.5	176.7	61.4	0	0	0	110.3	G232 T233 F234 D254 D261 F262 L338 T342	G232-L257 CarbonylContact C-O 3.53Å; G232-L257 PolarHBondContact O-N 3.06Å; T233-L257 CarbonylContact C-O 3.49Å; T233-L257 VanDerWaalsContact CA-O 3.26Å; T233-L257 WeakPolarHBondContact CA-O 3.48Å; T233-L257 PolarHBondContact N-O 3.48Å; F234-L257 HydrophobicContact CB-CB 4.16Å; F234-L257 HydrophobicContact CB-CD2 4.17Å; F234-L257 HydrophobicContact CB-CG 4.24Å; F234-L257 HydrophobicContact CD1-CD2 4.09Å; F234-L257 HydrophobicContact CG-CD2 4.35Å; F234-L257 PolarHBondContact N-O 2.77Å; D254-L257 HydrophobicContact CB-CB 3.88Å; D254-L257 HydrophobicContact CB-CD2 4.39Å; L257-D261 VanDerWaalsContact CA-OD2 3.26Å; L257-D261 WeakPolarHBondContact CA-OD2 3.37Å; L257-F262 HydrophobicContact CD1-CE1 4.38Å; L257-L338 HydrophobicContact CD1-CB 4.14Å; L257-L338 HydrophobicContact CD1-CD2 4.07Å; L257-L338 HydrophobicContact CD1-CG 4.49Å; L257-T342 HydrophobicContact CD2-CG2 3.91Å
258	G	95.8	Very high	94.3	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	-176.7	-164.9	179.3	0	0	0	0	0	114.8	G231 E260 D261 F262	G231-G258 CarbonylContact O-C 3.59Å; G258-E260 VanDerWaalsContact C-N 3.28Å; G258-E260 PolarHBondContact O-N 3.45Å; G258-D261 PolarHBondContact N-OD2 3.47Å; G258-D261 PolarHBondContact O-N 3.42Å; G258-F262 PolarHBondContact O-N 2.85Å
259	G	97.2	Very high	94.4	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.01	11%	0.111	C	C	.	.	H	α-helix	trans	-55.4	-34	-179.1	0	0	0	0	0	115.5	G230 G231 F262 D263 K300 S369	G230-G259 PolarHBondContact O-N 3.4Å; G231-G259 PolarHBondContact O-N 3.47Å; G259-F262 PolarHBondContact O-N 2.97Å; G259-D263 PolarHBondContact O-N 3.42Å; G259-D263 VanDerWaalsContact O-N 3.16Å; G259-K300 PolarHBondContact O-NZ 3.39Å; G259-S369 VanDerWaalsContact CA-OG 3.27Å; G259-S369 WeakPolarHBondContact CA-OG 3.18Å; G259-S369 PolarHBondContact N-OG 3.12Å
260	E	95.1	Very high	94.5	Very high	12 Å²	12	20.4 Å²	20.4	6%	0.056	10%	0.101	C	C	.	.	H	α-helix	trans	-68.5	-35.5	178.7	-71.3	-58.7	126.6	0	0	111.9	G231 G258 F262 D263 Q264 R293	G231-E260 PolarHBondContact O-N 3.35Å; G258-E260 VanDerWaalsContact C-N 3.28Å; G258-E260 PolarHBondContact O-N 3.45Å; E260-F262 VanDerWaalsContact C-N 3.29Å; E260-F262 PolarHBondContact O-N 3.49Å; E260-D263 PolarHBondContact O-N 2.84Å; E260-Q264 WeakPolarHBondContact O-CB 3.25Å; E260-Q264 PolarHBondContact O-N 2.91Å; E260-R293 IonicContact OE2-NH1 3.82Å; E260-R293 PolarHBondContact OE2-NH1 3.4Å
261	D	96.8	Very high	94.6	Very high	31 Å²	31	20.7 Å²	20.7	17%	0.166	10%	0.103	C	C	.	.	H	α-helix	trans	-66.4	-37.2	176.5	-52.3	-68	0	0	0	110.6	R102 L257 G258 Q264 R265 L338	R102-D261 IonicContact CZ-OD1 3.36Å; R102-D261 IonicContact CZ-OD2 3.19Å; R102-D261 IonicContact NH1-OD1 2.86Å; R102-D261 PolarHBondContact NH1-OD1 3.41Å; R102-D261 IonicContact NH1-OD2 3.57Å; R102-D261 IonicContact NH2-OD1 2.84Å; R102-D261 IonicContact NH2-OD2 2.61Å; R102-D261 PolarHBondContact NH2-OD2 2.9Å; L257-D261 VanDerWaalsContact CA-OD2 3.26Å; L257-D261 WeakPolarHBondContact CA-OD2 3.37Å; G258-D261 PolarHBondContact N-OD2 3.47Å; G258-D261 PolarHBondContact O-N 3.42Å; D261-Q264 PolarHBondContact O-N 3.43Å; D261-R265 WeakPolarHBondContact O-CG 3.32Å; D261-R265 PolarHBondContact O-N 3.29Å; D261-L338 HydrophobicContact CB-CD1 4.04Å
262	F	98.3	Very high	94.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-65.3	-40.8	176.2	-49.7	-32.4	0	0	0	111.9	L229 L257 G258 G259 E260 R265 V266 K300 F331 N335 L338 F339 I372	L229-F262 HydrophobicContact CD2-CE2 4.11Å; L229-F262 HydrophobicContact CD2-CZ 4.11Å; L257-F262 HydrophobicContact CD1-CE1 4.38Å; G258-F262 PolarHBondContact O-N 2.85Å; G259-F262 PolarHBondContact O-N 2.97Å; E260-F262 VanDerWaalsContact C-N 3.29Å; E260-F262 PolarHBondContact O-N 3.49Å; F262-R265 PolarHBondContact O-N 2.99Å; F262-V266 WeakPolarHBondContact O-CG2 3.35Å; F262-V266 PolarHBondContact O-N 3.47Å; F262-K300 HydrophobicContact CB-CD 4.25Å; F262-F331 HydrophobicContact CB-CE2 4.12Å; F262-F331 HydrophobicContact CB-CZ 4.28Å; F262-N335 WeakPolarHBondContact CA-OD1 3.34Å; F262-N335 HydrophobicContact CD1-CB 4.33Å; F262-L338 HydrophobicContact CD1-CB 4.36Å; F262-L338 HydrophobicContact CD1-CD1 3.91Å; F262-L338 HydrophobicContact CE1-CB 3.81Å; F262-L338 HydrophobicContact CE1-CD1 4.04Å; F262-F339 HydrophobicContact CD1-CD1 4.45Å; F262-F339 AromaticContact CD1-CE1 3.82Å; F262-F339 HydrophobicContact CD1-CE1 3.82Å; F262-F339 HydrophobicContact CD2-CE1 4.09Å; F262-F339 AromaticContact CE1-CD1 3.89Å; F262-F339 HydrophobicContact CE1-CD1 3.89Å; F262-F339 AromaticContact CE1-CE1 3.65Å; F262-F339 HydrophobicContact CE1-CE1 3.65Å; F262-F339 AromaticContact CE2-CE1 3.93Å; F262-F339 HydrophobicContact CE2-CE1 3.93Å; F262-F339 HydrophobicContact CG-CE1 4.07Å; F262-F339 AromaticContact CZ-CD1 3.95Å; F262-F339 HydrophobicContact CZ-CD1 3.95Å; F262-F339 AromaticContact CZ-CE1 3.72Å; F262-F339 HydrophobicContact CZ-CE1 3.72Å; F262-I372 HydrophobicContact CD2-CD1 3.68Å; F262-I372 HydrophobicContact CE2-CD1 3.81Å
263	D	98	Very high	95.1	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.8	-44.2	174.8	-70.1	-18	0	0	0	110.4	G259 E260 R265 V266 M267 V296 K300	G259-D263 PolarHBondContact O-N 3.42Å; G259-D263 VanDerWaalsContact O-N 3.16Å; E260-D263 PolarHBondContact O-N 2.84Å; D263-R265 VanDerWaalsContact C-N 3.34Å; D263-R265 PolarHBondContact O-N 3.34Å; D263-V266 PolarHBondContact O-N 3.42Å; D263-V266 VanDerWaalsContact O-N 3.11Å; D263-M267 VanDerWaalsContact O-CG 3.32Å; D263-M267 WeakPolarHBondContact O-CG 3.28Å; D263-M267 PolarHBondContact O-N 2.89Å; D263-V296 HydrophobicContact CB-CG1 4.07Å; D263-K300 WeakPolarHBondContact OD1-CD 3.25Å; D263-K300 WeakPolarHBondContact OD1-CE 3.39Å; D263-K300 IonicContact OD1-NZ 3.21Å; D263-K300 PolarHBondContact OD1-NZ 2.78Å; D263-K300 IonicContact OD2-NZ 3.34Å; D263-K300 PolarHBondContact OD2-NZ 2.72Å
264	Q	96.6	Very high	95.5	Very high	33 Å²	33	28.3 Å²	28.3	15%	0.154	13%	0.133	C	C	.	.	H	α-helix	trans	-60.8	-40.2	179.7	-172.3	62.9	25.4	0	0	112.6	M119 E260 D261 V266 M267 E268	M119-Q264 HydrophobicContact SD-CG 3.55Å; M119-Q264 VanDerWaalsContact SD-CG 3.55Å; E260-Q264 WeakPolarHBondContact O-CB 3.25Å; E260-Q264 PolarHBondContact O-N 2.91Å; D261-Q264 PolarHBondContact O-N 3.43Å; Q264-V266 VanDerWaalsContact C-N 3.31Å; Q264-V266 PolarHBondContact O-N 3.44Å; Q264-M267 PolarHBondContact O-N 2.98Å; Q264-E268 WeakPolarHBondContact O-CB 3.46Å; Q264-E268 WeakPolarHBondContact O-CG 3.47Å; Q264-E268 PolarHBondContact O-N 3.29Å
265	R	98	Very high	95.9	Very high	85 Å²	85	29.2 Å²	29.2	32%	0.321	13%	0.133	S	C	.	.	H	α-helix	trans	-61.1	-40.1	175	-67.4	-64.9	-172.3	82.5	-2	112.2	D261 F262 D263 H269 L334 N335 D337 L338	D261-R265 WeakPolarHBondContact O-CG 3.32Å; D261-R265 PolarHBondContact O-N 3.29Å; F262-R265 PolarHBondContact O-N 2.99Å; D263-R265 VanDerWaalsContact C-N 3.34Å; D263-R265 PolarHBondContact O-N 3.34Å; R265-H269 PolarHBondContact O-N 3.44Å; R265-H269 VanDerWaalsContact O-N 3.17Å; R265-L334 PolarHBondContact NH1-O 2.86Å; R265-N335 VanDerWaalsContact CB-OD1 3.31Å; R265-N335 WeakPolarHBondContact CB-OD1 3.33Å; R265-N335 VanDerWaalsContact CG-OD1 3.27Å; R265-N335 WeakPolarHBondContact CG-OD1 3.46Å; R265-D337 IonicContact CZ-OD1 3.62Å; R265-D337 IonicContact CZ-OD2 3.68Å; R265-D337 IonicContact NH1-OD1 2.85Å; R265-D337 PolarHBondContact NH1-OD1 3.47Å; R265-D337 IonicContact NH1-OD2 3.71Å; R265-D337 PolarHBondContact NH1-OD2 3.14Å; R265-D337 IonicContact NH2-OD1 3.76Å; R265-D337 IonicContact NH2-OD2 2.99Å; R265-D337 PolarHBondContact NH2-OD2 3.34Å; R265-L338 HydrophobicContact CG-CD1 4.14Å
266	V	98.5	Very high	96.5	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.006	17%	0.165	C	C	.	.	H	α-helix	trans	-72.5	-40.9	178.2	177.9	0	0	0	0	111.1	F262 D263 Q264 H269 F270 V296 L326 F331 L334	F262-V266 WeakPolarHBondContact O-CG2 3.35Å; F262-V266 PolarHBondContact O-N 3.47Å; D263-V266 PolarHBondContact O-N 3.42Å; D263-V266 VanDerWaalsContact O-N 3.11Å; Q264-V266 VanDerWaalsContact C-N 3.31Å; Q264-V266 PolarHBondContact O-N 3.44Å; V266-H269 WeakPolarHBondContact O-CB 3.4Å; V266-H269 PolarHBondContact O-N 3Å; V266-F270 HydrophobicContact CG1-CD2 3.7Å; V266-F270 HydrophobicContact CG1-CE2 3.53Å; V266-F270 WeakPolarHBondContact O-CD2 3.35Å; V266-F270 PolarHBondContact O-N 3.21Å; V266-V296 HydrophobicContact CB-CG1 3.71Å; V266-V296 HydrophobicContact CG1-CB 4.45Å; V266-V296 HydrophobicContact CG1-CG1 3.66Å; V266-V296 HydrophobicContact CG1-CG2 3.97Å; V266-L326 HydrophobicContact CG1-CD1 4.37Å; V266-L326 HydrophobicContact CG1-CD2 3.74Å; V266-L326 HydrophobicContact CG2-CD2 4.44Å; V266-F331 HydrophobicContact CG2-CD2 3.69Å; V266-F331 HydrophobicContact CG2-CE2 4.17Å; V266-L334 HydrophobicContact CG2-CD1 4.23Å
267	M	98	Very high	96.9	Very high	1 Å²	1	40 Å²	40	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-58.5	-48.5	173.6	-71.9	173.7	62	0	0	111.2	D263 Q264 H269 F270 I271 V289 L292 R293 V296	D263-M267 VanDerWaalsContact O-CG 3.32Å; D263-M267 WeakPolarHBondContact O-CG 3.28Å; D263-M267 PolarHBondContact O-N 2.89Å; Q264-M267 PolarHBondContact O-N 2.98Å; M267-H269 VanDerWaalsContact C-N 3.27Å; M267-H269 PolarHBondContact O-N 3.27Å; M267-F270 PolarHBondContact O-N 3.24Å; M267-F270 VanDerWaalsContact O-N 3.12Å; M267-I271 HydrophobicContact CB-CD1 4.47Å; M267-I271 WeakPolarHBondContact O-CB 3.47Å; M267-I271 WeakPolarHBondContact O-CD1 3.2Å; M267-I271 VanDerWaalsContact O-CG1 3.24Å; M267-I271 WeakPolarHBondContact O-CG1 3.44Å; M267-I271 PolarHBondContact O-N 2.99Å; M267-V289 HydrophobicContact CE-CG1 3.65Å; M267-L292 HydrophobicContact CB-CD2 4.41Å; M267-L292 HydrophobicContact CG-CD2 4.48Å; M267-L292 HydrophobicContact CG-CG 4.39Å; M267-R293 HydrophobicContact CE-CB 3.87Å; M267-R293 HydrophobicContact SD-CB 3.67Å; M267-R293 HydrophobicContact SD-CG 3.85Å; M267-V296 HydrophobicContact CG-CB 4.26Å; M267-V296 HydrophobicContact CG-CG1 4.22Å; M267-V296 HydrophobicContact CG-CG2 4.07Å
268	E	97.4	Very high	96.9	Very high	53 Å²	53	43.6 Å²	43.6	25%	0.248	19%	0.194	C	C	.	.	H	α-helix	trans	-59.3	-37.6	176.9	-79.8	-62.4	140.9	0	0	112.6	Q264 K272	Q264-E268 WeakPolarHBondContact O-CB 3.46Å; Q264-E268 WeakPolarHBondContact O-CG 3.47Å; Q264-E268 PolarHBondContact O-N 3.29Å; E268-K272 WeakPolarHBondContact O-CB 3.31Å; E268-K272 WeakPolarHBondContact O-CD 3.34Å; E268-K272 VanDerWaalsContact O-CG 3.25Å; E268-K272 WeakPolarHBondContact O-CG 3.41Å; E268-K272 PolarHBondContact O-N 3.18Å
269	H	98.2	Very high	96.8	Very high	52 Å²	52	50.5 Å²	50.5	24%	0.241	23%	0.231	C	C	.	.	H	α-helix	trans	-60.8	-49.5	173.2	175.3	65.8	0	0	0	111.6	R265 V266 M267 K272 L273 L334	R265-H269 PolarHBondContact O-N 3.44Å; R265-H269 VanDerWaalsContact O-N 3.17Å; V266-H269 WeakPolarHBondContact O-CB 3.4Å; V266-H269 PolarHBondContact O-N 3Å; M267-H269 VanDerWaalsContact C-N 3.27Å; M267-H269 PolarHBondContact O-N 3.27Å; H269-K272 PolarHBondContact O-N 3.02Å; H269-L273 WeakPolarHBondContact O-CB 3.45Å; H269-L273 PolarHBondContact O-N 3.32Å; H269-L334 HydrophobicContact CB-CD1 3.77Å; H269-L334 HydrophobicContact CB-CD2 4.05Å
270	F	98.2	Very high	96.7	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.009	24%	0.244	C	C	.	.	H	α-helix	trans	-73.2	-33.4	-178.3	-75.1	-55.2	0	0	0	114	V266 M267 K272 L273 Y274 L292 V296 I311 F322 E324 L326	V266-F270 HydrophobicContact CG1-CD2 3.7Å; V266-F270 HydrophobicContact CG1-CE2 3.53Å; V266-F270 WeakPolarHBondContact O-CD2 3.35Å; V266-F270 PolarHBondContact O-N 3.21Å; M267-F270 PolarHBondContact O-N 3.24Å; M267-F270 VanDerWaalsContact O-N 3.12Å; F270-K272 VanDerWaalsContact C-N 3.33Å; F270-K272 PolarHBondContact O-N 2.99Å; F270-L273 HydrophobicContact CD1-CD2 3.96Å; F270-L273 HydrophobicContact CE1-CD2 4.18Å; F270-L273 PolarHBondContact O-N 3.48Å; F270-Y274 WeakPolarHBondContact O-CB 3.24Å; F270-Y274 PolarHBondContact O-N 2.81Å; F270-L292 HydrophobicContact CB-CD1 4.22Å; F270-L292 HydrophobicContact CB-CD2 4.21Å; F270-V296 HydrophobicContact CD2-CG2 4.26Å; F270-I311 HydrophobicContact CD2-CD1 3.97Å; F270-I311 HydrophobicContact CE2-CD1 3.3Å; F270-I311 HydrophobicContact CZ-CD1 3.8Å; F270-F322 HydrophobicContact CB-CE2 4.46Å; F270-F322 HydrophobicContact CB-CZ 3.91Å; F270-F322 HydrophobicContact CD1-CE1 4.48Å; F270-F322 AromaticContact CD1-CZ 3.66Å; F270-F322 HydrophobicContact CD1-CZ 3.66Å; F270-F322 HydrophobicContact CE1-CZ 4.38Å; F270-F322 AromaticContact CG-CZ 3.86Å; F270-F322 HydrophobicContact CG-CZ 3.86Å; F270-E324 HydrophobicContact CD1-CB 4.16Å; F270-E324 HydrophobicContact CD1-CG 4.16Å; F270-E324 HydrophobicContact CE1-CB 3.61Å; F270-E324 HydrophobicContact CE1-CG 4.07Å; F270-E324 HydrophobicContact CZ-CB 4.34Å; F270-L326 HydrophobicContact CE2-CB 4.34Å; F270-L326 HydrophobicContact CE2-CD1 4.14Å; F270-L326 HydrophobicContact CE2-CD2 4.4Å; F270-L326 HydrophobicContact CZ-CB 4.01Å; F270-L326 HydrophobicContact CZ-CD1 4.03Å; F270-L326 HydrophobicContact CZ-CG 4.49Å
271	I	97.3	Very high	96.7	Very high	6 Å²	6	54.2 Å²	54.2	3%	0.031	25%	0.248	C	C	.	.	H	α-helix	trans	-58.3	-47.7	171.4	-71.8	161.9	0	0	0	109.9	M267 K275 I282 R283 L292	M267-I271 HydrophobicContact CB-CD1 4.47Å; M267-I271 WeakPolarHBondContact O-CB 3.47Å; M267-I271 WeakPolarHBondContact O-CD1 3.2Å; M267-I271 VanDerWaalsContact O-CG1 3.24Å; M267-I271 WeakPolarHBondContact O-CG1 3.44Å; M267-I271 PolarHBondContact O-N 2.99Å; I271-K275 WeakPolarHBondContact O-CB 3.4Å; I271-K275 PolarHBondContact O-N 3.37Å; I271-I282 HydrophobicContact CG1-CD1 3.71Å; I271-I282 HydrophobicContact CG1-CG1 3.88Å; I271-I282 HydrophobicContact CG2-CG1 4.46Å; I271-R283 HydrophobicContact CD1-CG 4.12Å; I271-R283 HydrophobicContact CG2-CG 3.96Å; I271-L292 HydrophobicContact CG1-CD2 4Å
272	K	97.5	Very high	96.7	Very high	137 Å²	137	52.8 Å²	52.8	60%	0.596	24%	0.241	S	C	*	.	H	α-helix	trans	-65.7	-40.7	177.9	-70.8	169.8	-171.5	170.6	0	111.8	E268 H269 F270 K276	E268-K272 WeakPolarHBondContact O-CB 3.31Å; E268-K272 WeakPolarHBondContact O-CD 3.34Å; E268-K272 VanDerWaalsContact O-CG 3.25Å; E268-K272 WeakPolarHBondContact O-CG 3.41Å; E268-K272 PolarHBondContact O-N 3.18Å; H269-K272 PolarHBondContact O-N 3.02Å; F270-K272 VanDerWaalsContact C-N 3.33Å; F270-K272 PolarHBondContact O-N 2.99Å; K272-K276 WeakPolarHBondContact O-CB 3.26Å; K272-K276 PolarHBondContact O-N 3.2Å
273	L	96.6	Very high	96.5	Very high	41 Å²	41	58.9 Å²	58.9	22%	0.215	26%	0.264	C	S	.	.	H	α-helix	trans	-62.9	-47.3	177.3	-173.9	66.1	0	0	0	111.5	H269 F270 K276 K277 E324	H269-L273 WeakPolarHBondContact O-CB 3.45Å; H269-L273 PolarHBondContact O-N 3.32Å; F270-L273 HydrophobicContact CD1-CD2 3.96Å; F270-L273 HydrophobicContact CE1-CD2 4.18Å; F270-L273 PolarHBondContact O-N 3.48Å; L273-K276 WeakPolarHBondContact O-CB 3.33Å; L273-K276 PolarHBondContact O-N 3.13Å; L273-K277 HydrophobicContact CG-CD 4.35Å; L273-K277 WeakPolarHBondContact O-CG 3.46Å; L273-K277 PolarHBondContact O-N 3.36Å; L273-E324 HydrophobicContact CD2-CG 4.06Å
274	Y	96.7	Very high	96.3	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-62.1	-45	178.2	-170.9	-95.8	0	0	0	111.4	F270 K276 K277 H278 K280 I282 F316 F317 N320 F322	F270-Y274 WeakPolarHBondContact O-CB 3.24Å; F270-Y274 PolarHBondContact O-N 2.81Å; Y274-K276 VanDerWaalsContact C-N 3.3Å; Y274-K276 PolarHBondContact O-N 2.69Å; Y274-K277 PolarHBondContact O-N 3.2Å; Y274-K277 VanDerWaalsContact O-N 3.16Å; Y274-H278 AromaticContact CD2-CD2 3.44Å; Y274-H278 VanDerWaalsContact CD2-CD2 3.44Å; Y274-H278 WeakPolarHBondContact CD2-CD2 3.43Å; Y274-H278 HydrophobicContact CE1-CB 4.23Å; Y274-H278 AromaticContact CE2-CD2 3.32Å; Y274-H278 WeakPolarHBondContact CE2-CD2 3.47Å; Y274-H278 AromaticContact CE2-NE2 3.8Å; Y274-H278 AromaticContact CZ-CD2 3.82Å; Y274-H278 PolarHBondContact O-N 2.96Å; Y274-K280 HydrophobicContact CD1-CB 4.45Å; Y274-K280 HydrophobicContact CE1-CB 3.89Å; Y274-I282 HydrophobicContact CD1-CG2 3.37Å; Y274-I282 HydrophobicContact CE1-CG2 3.48Å; Y274-I282 VanDerWaalsContact CE1-CG2 3.48Å; Y274-I282 HydrophobicContact CG-CG2 4.15Å; Y274-F316 HydrophobicContact CD2-CD1 4.26Å; Y274-F316 HydrophobicContact CD2-CE1 4.2Å; Y274-F316 AromaticContact CE2-CD1 3.9Å; Y274-F316 HydrophobicContact CE2-CD1 3.9Å; Y274-F316 HydrophobicContact CE2-CE1 4.27Å; Y274-F316 HydrophobicContact CG-CE1 4.39Å; Y274-F317 HydrophobicContact CE1-CB 4.26Å; Y274-F317 HydrophobicContact CE1-CD1 4.19Å; Y274-F317 PolarHBondContact OH-O 3.47Å; Y274-N320 WeakPolarHBondContact OH-CB 3.33Å; Y274-F322 AromaticContact CD2-CD2 3.64Å; Y274-F322 HydrophobicContact CD2-CD2 3.64Å; Y274-F322 HydrophobicContact CD2-CE2 4.09Å; Y274-F322 HydrophobicContact CE2-CD2 4.22Å
275	K	96.3	Very high	96.2	Very high	87 Å²	87	67.7 Å²	67.7	38%	0.378	31%	0.306	S	S	.	.	H	α-helix	trans	-59	-40.9	174.6	-172.8	171.7	-174.6	165.3	0	112	I271 D279 K280 D281	I271-K275 WeakPolarHBondContact O-CB 3.4Å; I271-K275 PolarHBondContact O-N 3.37Å; K275-D279 WeakPolarHBondContact O-CA 3.4Å; K275-D279 PolarHBondContact O-N 3.15Å; K275-K280 VanDerWaalsContact CA-O 3.3Å; K275-K280 WeakPolarHBondContact CA-O 3.39Å; K275-D281 HydrophobicContact CD-CB 4.43Å; K275-D281 IonicContact NZ-OD2 3.69Å; K275-D281 PolarHBondContact NZ-OD2 3.33Å
276	K	96.2	Very high	96	Very high	182 Å²	182	66.2 Å²	66.2	79%	0.791	31%	0.305	S	S	*	.	H	α-helix	trans	-66	-37.8	176	-177	-179.6	176.7	-177.5	0	112.8	K272 L273 Y274	K272-K276 WeakPolarHBondContact O-CB 3.26Å; K272-K276 PolarHBondContact O-N 3.2Å; L273-K276 WeakPolarHBondContact O-CB 3.33Å; L273-K276 PolarHBondContact O-N 3.13Å; Y274-K276 VanDerWaalsContact C-N 3.3Å; Y274-K276 PolarHBondContact O-N 2.69Å
277	K	95.2	Very high	95.8	Very high	112 Å²	112	67.8 Å²	67.8	49%	0.487	32%	0.318	S	S	.	.	H	α-helix	trans	-80.6	-36.1	-176.6	-74	-175.9	176.6	-176.8	0	113.5	L273 Y274 E324	L273-K277 HydrophobicContact CG-CD 4.35Å; L273-K277 WeakPolarHBondContact O-CG 3.46Å; L273-K277 PolarHBondContact O-N 3.36Å; Y274-K277 PolarHBondContact O-N 3.2Å; Y274-K277 VanDerWaalsContact O-N 3.16Å; K277-E324 WeakPolarHBondContact CD-OE1 2.97Å; K277-E324 WeakPolarHBondContact CE-OE1 3.32Å; K277-E324 IonicContact NZ-OE1 3.56Å; K277-E324 PolarHBondContact NZ-OE1 3.25Å; K277-E324 IonicContact NZ-OE2 2.81Å; K277-E324 PolarHBondContact NZ-OE2 3.46Å
278	H	93.3	Very high	95.7	Very high	79 Å²	79	67.8 Å²	67.8	37%	0.366	32%	0.318	S	S	.	.	H	α-helix	trans	-119.4	-3.4	-170.9	-61.1	-78	0	0	0	114.5	Y274 K280	Y274-H278 AromaticContact CD2-CD2 3.44Å; Y274-H278 VanDerWaalsContact CD2-CD2 3.44Å; Y274-H278 WeakPolarHBondContact CD2-CD2 3.43Å; Y274-H278 HydrophobicContact CE1-CB 4.23Å; Y274-H278 AromaticContact CE2-CD2 3.32Å; Y274-H278 WeakPolarHBondContact CE2-CD2 3.47Å; Y274-H278 AromaticContact CE2-NE2 3.8Å; Y274-H278 AromaticContact CZ-CD2 3.82Å; Y274-H278 PolarHBondContact O-N 2.96Å; H278-K280 HydrophobicContact CB-CB 4.39Å; H278-K280 WeakPolarHBondContact O-CG 3.47Å; H278-K280 PolarHBondContact O-N 3.19Å
279	D	94.2	Very high	95.7	Very high	145 Å²	145	66.1 Å²	66.1	78%	0.775	31%	0.311	S	S	*	.	S	Bend	trans	53.9	33.2	-172.7	-161.6	33.5	0	0	0	113.6	K275	K275-D279 WeakPolarHBondContact O-CA 3.4Å; K275-D279 PolarHBondContact O-N 3.15Å
280	K	94.5	Very high	95.6	Very high	64 Å²	64	63.7 Å²	63.7	28%	0.278	30%	0.3	S	S	.	.			trans	-125.3	135.3	-178	-72.5	-177.7	-178.5	-156.9	0	111.2	Y274 K275 H278 F317 D318	Y274-K280 HydrophobicContact CD1-CB 4.45Å; Y274-K280 HydrophobicContact CE1-CB 3.89Å; K275-K280 VanDerWaalsContact CA-O 3.3Å; K275-K280 WeakPolarHBondContact CA-O 3.39Å; H278-K280 HydrophobicContact CB-CB 4.39Å; H278-K280 WeakPolarHBondContact O-CG 3.47Å; H278-K280 PolarHBondContact O-N 3.19Å; K280-F317 HydrophobicContact CB-CD1 4.09Å; K280-F317 HydrophobicContact CB-CE1 3.97Å; K280-F317 HydrophobicContact CD-CD1 4.1Å; K280-F317 HydrophobicContact CD-CE1 4.19Å; K280-F317 HydrophobicContact CG-CE1 4.42Å; K280-D318 HydrophobicContact CD-CB 4.39Å; K280-D318 WeakPolarHBondContact CD-OD2 3.5Å; K280-D318 WeakPolarHBondContact CE-OD2 3.37Å; K280-D318 IonicContact NZ-OD2 2.8Å; K280-D318 PolarHBondContact NZ-OD2 2.89Å
281	D	95.3	Very high	95.6	Very high	27 Å²	27	66.3 Å²	66.3	14%	0.144	31%	0.312	C	S	.	.			trans	-104.3	100.5	-178.3	-158.1	-32.7	0	0	0	110.5	K275 R283 K284	K275-D281 HydrophobicContact CD-CB 4.43Å; K275-D281 IonicContact NZ-OD2 3.69Å; K275-D281 PolarHBondContact NZ-OD2 3.33Å; D281-R283 PolarHBondContact O-N 2.61Å; D281-R283 VanDerWaalsContact O-N 3.15Å; D281-R283 WeakPolarHBondContact OD1-CB 3.42Å; D281-R283 IonicContact OD1-CZ 3.97Å; D281-R283 PolarHBondContact OD1-N 2.79Å; D281-R283 IonicContact OD1-NE 3.4Å; D281-R283 PolarHBondContact OD1-NE 3.06Å; D281-R283 IonicContact OD1-NH2 3Å; D281-R283 PolarHBondContact OD1-NH2 2.84Å; D281-R283 IonicContact OD2-CZ 2.8Å; D281-R283 IonicContact OD2-NE 2.61Å; D281-R283 IonicContact OD2-NH2 2.74Å; D281-R283 PolarHBondContact OD2-NH2 3.44Å; D281-K284 PolarHBondContact O-N 3.23Å
282	I	96.3	Very high	95.6	Very high	2 Å²	2	66 Å²	66	1%	0.01	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-66.1	-16.6	-174.7	68.8	168.3	0	0	0	113.7	I271 Y274 K284 S285 A288 L292 F316 F317	I271-I282 HydrophobicContact CG1-CD1 3.71Å; I271-I282 HydrophobicContact CG1-CG1 3.88Å; I271-I282 HydrophobicContact CG2-CG1 4.46Å; Y274-I282 HydrophobicContact CD1-CG2 3.37Å; Y274-I282 HydrophobicContact CE1-CG2 3.48Å; Y274-I282 VanDerWaalsContact CE1-CG2 3.48Å; Y274-I282 HydrophobicContact CG-CG2 4.15Å; I282-K284 PolarHBondContact O-N 3.18Å; I282-S285 PolarHBondContact O-N 2.79Å; I282-A288 HydrophobicContact CB-CB 4.38Å; I282-L292 HydrophobicContact CD1-CD2 3.78Å; I282-F316 HydrophobicContact CB-CE1 4.5Å; I282-F316 HydrophobicContact CD1-CE1 3.79Å; I282-F316 HydrophobicContact CD1-CE2 4.39Å; I282-F316 HydrophobicContact CD1-CZ 3.35Å; I282-F316 HydrophobicContact CG2-CD1 4.41Å; I282-F316 HydrophobicContact CG2-CE1 3.74Å; I282-F316 HydrophobicContact CG2-CZ 4.27Å; I282-F317 HydrophobicContact CB-CD2 4.2Å; I282-F317 HydrophobicContact CB-CG 4.38Å; I282-F317 HydrophobicContact CG2-CB 3.89Å; I282-F317 HydrophobicContact CG2-CD1 4.22Å; I282-F317 HydrophobicContact CG2-CD2 4.15Å; I282-F317 HydrophobicContact CG2-CG 3.82Å
283	R	94.6	Very high	95.6	Very high	128 Å²	128	60.2 Å²	60.2	48%	0.483	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-62.4	-11	-179.9	-65.6	176	-69.2	179.8	6.4	113	I271 D281 S285	I271-R283 HydrophobicContact CD1-CG 4.12Å; I271-R283 HydrophobicContact CG2-CG 3.96Å; D281-R283 PolarHBondContact O-N 2.61Å; D281-R283 VanDerWaalsContact O-N 3.15Å; D281-R283 WeakPolarHBondContact OD1-CB 3.42Å; D281-R283 IonicContact OD1-CZ 3.97Å; D281-R283 PolarHBondContact OD1-N 2.79Å; D281-R283 IonicContact OD1-NE 3.4Å; D281-R283 PolarHBondContact OD1-NE 3.06Å; D281-R283 IonicContact OD1-NH2 3Å; D281-R283 PolarHBondContact OD1-NH2 2.84Å; D281-R283 IonicContact OD2-CZ 2.8Å; D281-R283 IonicContact OD2-NE 2.61Å; D281-R283 IonicContact OD2-NH2 2.74Å; D281-R283 PolarHBondContact OD2-NH2 3.44Å; R283-S285 VanDerWaalsContact C-N 3.27Å
284	K	93.1	Very high	95.6	Very high	180 Å²	180	62.7 Å²	62.7	78%	0.783	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-76.4	-10.2	171.6	-61.7	-179.2	179.7	-178.6	0	113.7	D281 I282	D281-K284 PolarHBondContact O-N 3.23Å; I282-K284 PolarHBondContact O-N 3.18Å
285	S	94.7	Very high	95.7	Very high	38 Å²	38	64.2 Å²	64.2	27%	0.266	30%	0.298	S	S	.	.			trans	-125.7	109.1	179	173.1	0	0	0	0	110.6	I282 R283 A287 A288 V289	I282-S285 PolarHBondContact O-N 2.79Å; R283-S285 VanDerWaalsContact C-N 3.27Å; S285-A287 PolarHBondContact O-N 3.08Å; S285-A288 PolarHBondContact O-N 2.88Å; S285-A288 VanDerWaalsContact O-N 3.16Å; S285-A288 PolarHBondContact OG-N 3.5Å; S285-V289 WeakPolarHBondContact O-CG2 3.48Å; S285-V289 PolarHBondContact O-N 3.02Å
286	N	94.4	Very high	95.8	Very high	53 Å²	53	60 Å²	60	28%	0.283	28%	0.28	S	S	.	.	H	α-helix	trans	-55.4	-42.5	174.7	-78.4	-24.2	0	0	0	111.2	P93 E94 P121 A288 V289 Q290	P93-N286 HydrophobicContact CB-CB 4.06Å; P93-N286 HydrophobicContact CG-CB 3.68Å; E94-N286 PolarHBondContact OE1-ND2 3.1Å; E94-N286 VanDerWaalsContact OE1-ND2 3.14Å; P121-N286 HydrophobicContact CB-CB 4.41Å; N286-A288 PolarHBondContact O-N 2.85Å; N286-V289 PolarHBondContact O-N 3.4Å; N286-Q290 WeakPolarHBondContact O-CG 3.29Å; N286-Q290 PolarHBondContact O-N 2.95Å
287	A	93.7	Very high	95.8	Very high	35 Å²	35	52 Å²	52	29%	0.289	25%	0.245	S	C	.	.	H	α-helix	trans	-59.8	-44.3	177.6	0	0	0	0	0	112.4	S285 Q290 K291	S285-A287 PolarHBondContact O-N 3.08Å; A287-Q290 PolarHBondContact O-N 3.03Å; A287-K291 WeakPolarHBondContact O-CG 3.26Å; A287-K291 PolarHBondContact O-N 3.24Å
288	A	96.4	Very high	95.9	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.008	24%	0.244	C	C	.	.	H	α-helix	trans	-65.3	-43.8	177.4	0	0	0	0	0	111.6	I282 S285 N286 Q290 K291 L292 F316 F317	I282-A288 HydrophobicContact CB-CB 4.38Å; S285-A288 PolarHBondContact O-N 2.88Å; S285-A288 VanDerWaalsContact O-N 3.16Å; S285-A288 PolarHBondContact OG-N 3.5Å; N286-A288 PolarHBondContact O-N 2.85Å; A288-Q290 VanDerWaalsContact C-N 3.34Å; A288-Q290 PolarHBondContact O-N 3.5Å; A288-K291 PolarHBondContact O-N 3.11Å; A288-L292 PolarHBondContact O-N 3.4Å; A288-F316 HydrophobicContact CB-CD2 4.49Å; A288-F316 HydrophobicContact CB-CE2 4.27Å; A288-F316 WeakPolarHBondContact CB-O 3.33Å; A288-F316 WeakPolarHBondContact O-CE2 3.44Å; A288-F317 HydrophobicContact CB-CB 4.48Å; A288-F317 HydrophobicContact CB-CD2 3.91Å
289	V	97	Very high	96.1	Very high	17 Å²	17	48.2 Å²	48.2	10%	0.103	23%	0.228	C	C	.	.	H	α-helix	trans	-60.6	-42.9	176.6	174.8	0	0	0	0	111.4	M267 S285 N286 L292 R293	M267-V289 HydrophobicContact CE-CG1 3.65Å; S285-V289 WeakPolarHBondContact O-CG2 3.48Å; S285-V289 PolarHBondContact O-N 3.02Å; N286-V289 PolarHBondContact O-N 3.4Å; V289-L292 WeakPolarHBondContact O-CB 3.5Å; V289-L292 PolarHBondContact O-N 3.35Å; V289-R293 PolarHBondContact O-N 3.03Å
290	Q	96.9	Very high	96.3	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-71.6	-35.2	178.9	-63.7	-44	-42.4	0	0	113.1	L89 T90 P93 P121 N286 A287 A288 L292 R293 R294	L89-Q290 HydrophobicContact CD1-CG 4.18Å; L89-Q290 HydrophobicContact CD2-CB 4.36Å; L89-Q290 HydrophobicContact CD2-CG 4.43Å; L89-Q290 HydrophobicContact CG-CB 4.18Å; L89-Q290 HydrophobicContact CG-CG 4.13Å; T90-Q290 HydrophobicContact CG2-CB 4.14Å; P93-Q290 HydrophobicContact CB-CG 3.81Å; P121-Q290 HydrophobicContact CB-CG 4.48Å; P121-Q290 HydrophobicContact CG-CG 4.39Å; N286-Q290 WeakPolarHBondContact O-CG 3.29Å; N286-Q290 PolarHBondContact O-N 2.95Å; A287-Q290 PolarHBondContact O-N 3.03Å; A288-Q290 VanDerWaalsContact C-N 3.34Å; A288-Q290 PolarHBondContact O-N 3.5Å; Q290-L292 VanDerWaalsContact C-N 3.29Å; Q290-L292 PolarHBondContact O-N 3.04Å; Q290-R293 PolarHBondContact O-N 3.24Å; Q290-R294 PolarHBondContact O-N 2.9Å
291	K	97	Very high	96.5	Very high	58 Å²	58	44.3 Å²	44.3	25%	0.252	20%	0.202	S	C	.	.	H	α-helix	trans	-58.1	-44.7	169.6	-75.2	179.3	-179.3	-172.7	0	110.6	T90 A287 A288 E295 I313 S315 F316	T90-K291 HydrophobicContact CG2-CG 3.93Å; A287-K291 WeakPolarHBondContact O-CG 3.26Å; A287-K291 PolarHBondContact O-N 3.24Å; A288-K291 PolarHBondContact O-N 3.11Å; K291-E295 PolarHBondContact O-N 3.06Å; K291-I313 HydrophobicContact CB-CD1 4.41Å; K291-I313 HydrophobicContact CB-CG2 4.12Å; K291-I313 HydrophobicContact CD-CG2 3.93Å; K291-S315 PolarHBondContact NZ-O 2.95Å; K291-F316 HydrophobicContact CB-CE2 4.5Å
292	L	97.9	Very high	96.6	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.1	-48.2	176.4	-177.1	63	0	0	0	111.8	M267 F270 I271 I282 A288 V289 Q290 R294 E295 V296 I313 F316 F322	M267-L292 HydrophobicContact CB-CD2 4.41Å; M267-L292 HydrophobicContact CG-CD2 4.48Å; M267-L292 HydrophobicContact CG-CG 4.39Å; F270-L292 HydrophobicContact CB-CD1 4.22Å; F270-L292 HydrophobicContact CB-CD2 4.21Å; I271-L292 HydrophobicContact CG1-CD2 4Å; I282-L292 HydrophobicContact CD1-CD2 3.78Å; A288-L292 PolarHBondContact O-N 3.4Å; V289-L292 WeakPolarHBondContact O-CB 3.5Å; V289-L292 PolarHBondContact O-N 3.35Å; Q290-L292 VanDerWaalsContact C-N 3.29Å; Q290-L292 PolarHBondContact O-N 3.04Å; L292-R294 VanDerWaalsContact C-N 3.31Å; L292-R294 PolarHBondContact O-N 3.24Å; L292-E295 PolarHBondContact O-N 3.45Å; L292-V296 HydrophobicContact CD1-CG2 3.89Å; L292-V296 HydrophobicContact CG-CG2 4.05Å; L292-V296 WeakPolarHBondContact O-CB 3.07Å; L292-V296 VanDerWaalsContact O-CG2 3.26Å; L292-V296 WeakPolarHBondContact O-CG2 3.44Å; L292-V296 PolarHBondContact O-N 3.44Å; L292-I313 HydrophobicContact CB-CD1 4.45Å; L292-I313 HydrophobicContact CD1-CD1 4.32Å; L292-F316 HydrophobicContact CB-CE2 3.91Å; L292-F316 HydrophobicContact CB-CZ 3.95Å; L292-F316 HydrophobicContact CD1-CZ 4.45Å; L292-F316 HydrophobicContact CD2-CZ 4.4Å; L292-F316 HydrophobicContact CG-CZ 4.49Å; L292-F322 HydrophobicContact CD1-CE1 4.29Å; L292-F322 HydrophobicContact CD1-CZ 4.34Å
293	R	97.4	Very high	96.7	Very high	14 Å²	14	45.1 Å²	45.1	5%	0.053	21%	0.212	C	C	.	.	H	α-helix	trans	-52.3	-49.7	178	-177.9	-179.2	-68.6	-81.9	-7.5	111.3	E260 M267 V289 Q290 E295 V296 E297	E260-R293 IonicContact OE2-NH1 3.82Å; E260-R293 PolarHBondContact OE2-NH1 3.4Å; M267-R293 HydrophobicContact CE-CB 3.87Å; M267-R293 HydrophobicContact SD-CB 3.67Å; M267-R293 HydrophobicContact SD-CG 3.85Å; V289-R293 PolarHBondContact O-N 3.03Å; Q290-R293 PolarHBondContact O-N 3.24Å; R293-E295 PolarHBondContact O-N 3.38Å; R293-V296 PolarHBondContact O-N 2.77Å; R293-E297 PolarHBondContact O-N 3.03Å
294	R	96.4	Very high	96.9	Very high	94 Å²	94	40 Å²	40	36%	0.355	20%	0.195	S	C	.	.	H	α-helix	trans	-58.5	-48.3	-179.9	-173.9	-175.7	70.5	-163	0.3	112.5	Q290 L292 K298	Q290-R294 PolarHBondContact O-N 2.9Å; L292-R294 VanDerWaalsContact C-N 3.31Å; L292-R294 PolarHBondContact O-N 3.24Å; R294-K298 WeakPolarHBondContact O-CG 3.45Å; R294-K298 PolarHBondContact O-N 3.31Å
295	E	98	Very high	97	Very high	31 Å²	31	38.4 Å²	38.4	15%	0.145	20%	0.196	C	C	.	.	H	α-helix	trans	-74	-28.2	-179.5	-58.7	-46.3	129.2	0	0	112.6	K291 L292 R293 K298 A299 I311 I313	K291-E295 PolarHBondContact O-N 3.06Å; L292-E295 PolarHBondContact O-N 3.45Å; R293-E295 PolarHBondContact O-N 3.38Å; E295-K298 IonicContact OE1-NZ 2.77Å; E295-K298 PolarHBondContact OE1-NZ 3.1Å; E295-K298 VanDerWaalsContact OE2-CD 3.25Å; E295-K298 WeakPolarHBondContact OE2-CD 3.43Å; E295-K298 IonicContact OE2-NZ 2.61Å; E295-K298 PolarHBondContact OE2-NZ 3.2Å; E295-A299 WeakPolarHBondContact O-CB 3.4Å; E295-A299 PolarHBondContact O-N 2.93Å; E295-I311 HydrophobicContact CB-CG2 3.82Å; E295-I313 HydrophobicContact CB-CD1 4.36Å; E295-I313 HydrophobicContact CB-CG1 4.35Å; E295-I313 HydrophobicContact CG-CD1 4.09Å; E295-I313 HydrophobicContact CG-CG1 3.74Å
296	V	98.4	Very high	97.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.4	-47.1	171.4	165.1	0	0	0	0	111.4	D263 V266 M267 F270 L292 R293 K298 A299 K300 I311	D263-V296 HydrophobicContact CB-CG1 4.07Å; V266-V296 HydrophobicContact CB-CG1 3.71Å; V266-V296 HydrophobicContact CG1-CB 4.45Å; V266-V296 HydrophobicContact CG1-CG1 3.66Å; V266-V296 HydrophobicContact CG1-CG2 3.97Å; M267-V296 HydrophobicContact CG-CB 4.26Å; M267-V296 HydrophobicContact CG-CG1 4.22Å; M267-V296 HydrophobicContact CG-CG2 4.07Å; F270-V296 HydrophobicContact CD2-CG2 4.26Å; L292-V296 HydrophobicContact CD1-CG2 3.89Å; L292-V296 HydrophobicContact CG-CG2 4.05Å; L292-V296 WeakPolarHBondContact O-CB 3.07Å; L292-V296 VanDerWaalsContact O-CG2 3.26Å; L292-V296 WeakPolarHBondContact O-CG2 3.44Å; L292-V296 PolarHBondContact O-N 3.44Å; R293-V296 PolarHBondContact O-N 2.77Å; V296-K298 VanDerWaalsContact C-N 3.31Å; V296-K298 PolarHBondContact O-N 3.04Å; V296-A299 PolarHBondContact O-N 2.74Å; V296-K300 PolarHBondContact O-N 2.67Å; V296-I311 HydrophobicContact CG2-CD1 4.19Å
297	E	97.4	Very high	97.3	Very high	14 Å²	14	43.7 Å²	43.7	7%	0.065	22%	0.22	C	C	.	.	H	α-helix	trans	-58.3	-45.4	176.8	-169.5	-158.6	161.3	0	0	110.4	K86 R293 K300 R301	K86-E297 IonicContact NZ-OE1 2.71Å; K86-E297 IonicContact NZ-OE2 3.12Å; K86-E297 PolarHBondContact NZ-OE2 3.36Å; R293-E297 PolarHBondContact O-N 3.03Å; E297-K300 WeakPolarHBondContact O-CB 3.18Å; E297-K300 PolarHBondContact O-N 2.89Å; E297-R301 WeakPolarHBondContact O-CG 3.43Å; E297-R301 PolarHBondContact O-N 3.41Å; E297-R301 IonicContact OE1-CZ 2.69Å; E297-R301 VanDerWaalsContact OE1-CZ 3.28Å; E297-R301 IonicContact OE1-NE 3.4Å; E297-R301 PolarHBondContact OE1-NE 3.08Å; E297-R301 IonicContact OE1-NH2 2.64Å; E297-R301 PolarHBondContact OE1-NH2 3.33Å
298	K	97.2	Very high	97.5	Very high	105 Å²	105	48.6 Å²	48.6	46%	0.457	24%	0.237	S	C	.	.	H	α-helix	trans	-60.3	-45.4	175.5	-72.3	171.6	-178.9	173.8	0	112	R294 E295 V296 R301 A302	R294-K298 WeakPolarHBondContact O-CG 3.45Å; R294-K298 PolarHBondContact O-N 3.31Å; E295-K298 IonicContact OE1-NZ 2.77Å; E295-K298 PolarHBondContact OE1-NZ 3.1Å; E295-K298 VanDerWaalsContact OE2-CD 3.25Å; E295-K298 WeakPolarHBondContact OE2-CD 3.43Å; E295-K298 IonicContact OE2-NZ 2.61Å; E295-K298 PolarHBondContact OE2-NZ 3.2Å; V296-K298 VanDerWaalsContact C-N 3.31Å; V296-K298 PolarHBondContact O-N 3.04Å; K298-R301 PolarHBondContact O-N 3.28Å; K298-A302 WeakPolarHBondContact O-CB 3.23Å; K298-A302 PolarHBondContact O-N 3.11Å
299	A	98.3	Very high	97.5	Very high	5 Å²	5	49.2 Å²	49.2	4%	0.041	24%	0.242	C	C	.	.	H	α-helix	trans	-63.2	-42.8	177.5	0	0	0	0	0	111.8	E295 V296 R301 A302 L303 A309 I311 L326	E295-A299 WeakPolarHBondContact O-CB 3.4Å; E295-A299 PolarHBondContact O-N 2.93Å; V296-A299 PolarHBondContact O-N 2.74Å; A299-R301 PolarHBondContact O-N 3.44Å; A299-A302 PolarHBondContact O-N 3Å; A299-L303 WeakPolarHBondContact O-CB 3.49Å; A299-L303 VanDerWaalsContact O-CG 3.27Å; A299-L303 WeakPolarHBondContact O-CG 3.32Å; A299-L303 PolarHBondContact O-N 2.74Å; A299-A309 HydrophobicContact CB-CB 3.98Å; A299-I311 HydrophobicContact CB-CD1 3.91Å; A299-I311 HydrophobicContact CB-CG1 3.74Å; A299-L326 HydrophobicContact CB-CD2 4.43Å
300	K	98.4	Very high	97.6	Very high	18 Å²	18	56.6 Å²	56.6	8%	0.078	27%	0.268	C	S	.	.	H	α-helix	trans	-55.6	-49.3	173.3	176	-174.1	69.8	-159.6	0	111.2	G259 F262 D263 V296 E297 L303 S304 F331	G259-K300 PolarHBondContact O-NZ 3.39Å; F262-K300 HydrophobicContact CB-CD 4.25Å; D263-K300 WeakPolarHBondContact OD1-CD 3.25Å; D263-K300 WeakPolarHBondContact OD1-CE 3.39Å; D263-K300 IonicContact OD1-NZ 3.21Å; D263-K300 PolarHBondContact OD1-NZ 2.78Å; D263-K300 IonicContact OD2-NZ 3.34Å; D263-K300 PolarHBondContact OD2-NZ 2.72Å; V296-K300 PolarHBondContact O-N 2.67Å; E297-K300 WeakPolarHBondContact O-CB 3.18Å; E297-K300 PolarHBondContact O-N 2.89Å; K300-L303 PolarHBondContact O-N 3.21Å; K300-S304 PolarHBondContact O-N 2.85Å; K300-F331 HydrophobicContact CB-CE2 4.49Å; K300-F331 HydrophobicContact CD-CE2 4.28Å; K300-F331 HydrophobicContact CD-CZ 4.23Å; K300-F331 HydrophobicContact CG-CE2 3.93Å; K300-F331 HydrophobicContact CG-CZ 3.83Å
301	R	97.8	Very high	97.6	Very high	110 Å²	110	56.6 Å²	56.6	42%	0.415	27%	0.268	S	S	.	.	H	α-helix	trans	-60.5	-46.4	177.4	-70.4	174.5	-178.8	-93.5	2.3	111.2	Y44 E297 K298 A299 L303 S304	Y44-R301 VanDerWaalsContact CE2-NH2 3.27Å; E297-R301 WeakPolarHBondContact O-CG 3.43Å; E297-R301 PolarHBondContact O-N 3.41Å; E297-R301 IonicContact OE1-CZ 2.69Å; E297-R301 VanDerWaalsContact OE1-CZ 3.28Å; E297-R301 IonicContact OE1-NE 3.4Å; E297-R301 PolarHBondContact OE1-NE 3.08Å; E297-R301 IonicContact OE1-NH2 2.64Å; E297-R301 PolarHBondContact OE1-NH2 3.33Å; K298-R301 PolarHBondContact O-N 3.28Å; A299-R301 PolarHBondContact O-N 3.44Å; R301-L303 VanDerWaalsContact C-N 3.32Å; R301-L303 PolarHBondContact O-N 2.66Å; R301-S304 WeakPolarHBondContact O-CB 3.34Å; R301-S304 PolarHBondContact O-N 3.12Å; R301-S304 VanDerWaalsContact O-N 3.14Å
302	A	98	Very high	97.6	Very high	42 Å²	42	58.8 Å²	58.8	35%	0.347	28%	0.279	S	S	.	.	H	α-helix	trans	-60.6	-39.7	177.6	0	0	0	0	0	112.6	K298 A299 S304 N305 S306 A309	K298-A302 WeakPolarHBondContact O-CB 3.23Å; K298-A302 PolarHBondContact O-N 3.11Å; A299-A302 PolarHBondContact O-N 3Å; A302-S304 PolarHBondContact O-N 3.41Å; A302-S304 VanDerWaalsContact O-N 3.16Å; A302-N305 PolarHBondContact O-N 3.01Å; A302-S306 WeakPolarHBondContact O-CB 3.44Å; A302-S306 PolarHBondContact O-N 2.91Å; A302-A309 HydrophobicContact CB-CB 4.19Å
303	L	98.3	Very high	97.6	Very high	3 Å²	3	59.3 Å²	59.3	2%	0.016	28%	0.282	C	S	.	.	H	α-helix	trans	-66	-14.2	178.4	-73.4	176.3	0	0	0	114.2	A299 K300 R301 N305 S306 A309 L326 R328 F331	A299-L303 WeakPolarHBondContact O-CB 3.49Å; A299-L303 VanDerWaalsContact O-CG 3.27Å; A299-L303 WeakPolarHBondContact O-CG 3.32Å; A299-L303 PolarHBondContact O-N 2.74Å; K300-L303 PolarHBondContact O-N 3.21Å; R301-L303 VanDerWaalsContact C-N 3.32Å; R301-L303 PolarHBondContact O-N 2.66Å; L303-N305 PolarHBondContact O-N 3.03Å; L303-S306 CarbonylContact C-O 3.56Å; L303-S306 WeakPolarHBondContact CA-O 3.5Å; L303-A309 HydrophobicContact CD2-CB 4.2Å; L303-A309 HydrophobicContact CG-CB 4.13Å; L303-L326 HydrophobicContact CD1-CB 4.32Å; L303-L326 HydrophobicContact CD1-CD2 3.56Å; L303-L326 HydrophobicContact CD1-CG 3.67Å; L303-R328 HydrophobicContact CD2-CB 4.16Å; L303-R328 VanDerWaalsContact O-CZ 3.3Å; L303-R328 PolarHBondContact O-NE 2.78Å; L303-R328 PolarHBondContact O-NH2 2.91Å; L303-F331 HydrophobicContact CD1-CB 3.85Å; L303-F331 HydrophobicContact CD1-CG 4.31Å
304	S	97.3	Very high	97.6	Very high	20 Å²	20	66.3 Å²	66.3	14%	0.14	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-26.3	171.6	-59.6	0	0	0	0	112.1	K300 R301 A302 P373	K300-S304 PolarHBondContact O-N 2.85Å; R301-S304 WeakPolarHBondContact O-CB 3.34Å; R301-S304 PolarHBondContact O-N 3.12Å; R301-S304 VanDerWaalsContact O-N 3.14Å; A302-S304 PolarHBondContact O-N 3.41Å; A302-S304 VanDerWaalsContact O-N 3.16Å; S304-P373 VanDerWaalsContact O-CG 3.25Å; S304-P373 WeakPolarHBondContact O-CG 3.34Å
305	N	96.3	Very high	97.4	Very high	148 Å²	148	65.4 Å²	65.4	79%	0.791	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113	-22.2	178.2	-64.7	-49.6	0	0	0	113.5	A302 L303	A302-N305 PolarHBondContact O-N 3.01Å; L303-N305 PolarHBondContact O-N 3.03Å
306	S	96.9	Very high	97.3	Very high	57 Å²	57	64.2 Å²	64.2	40%	0.399	32%	0.318	S	S	.	.			trans	-117.2	156.2	-177.7	-64	0	0	0	0	112.7	A302 L303 R328	A302-S306 WeakPolarHBondContact O-CB 3.44Å; A302-S306 PolarHBondContact O-N 2.91Å; L303-S306 CarbonylContact C-O 3.56Å; L303-S306 WeakPolarHBondContact CA-O 3.5Å; S306-R328 VanDerWaalsContact C-NH2 3.27Å; S306-R328 PolarHBondContact O-NE 2.87Å; S306-R328 PolarHBondContact O-NH2 2.87Å
307	H	97.7	Very high	97.1	Very high	144 Å²	144	65.4 Å²	65.4	67%	0.667	32%	0.323	S	S	*	.	S	Bend	trans	-82.6	-15.6	177.2	-70.6	-78.6	0	0	0	114	T327 R328	H307-T327 CarbonylContact O-C 3.53Å; H307-T327 WeakPolarHBondContact O-CA 3.47Å; H307-R328 PolarHBondContact O-N 3.22Å
308	Q	97.7	Very high	96.8	Very high	139 Å²	139	69.8 Å²	69.8	65%	0.65	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.1	152.1	177.9	64.7	-178.5	6.5	0	0	110.6	L326	Q308-L326 CarbonylContact C-O 3.6Å; Q308-L326 WeakPolarHBondContact CA-O 3.34Å
309	A	98.1	Very high	96.5	Very high	13 Å²	13	67.5 Å²	67.5	11%	0.107	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	144.8	172	0	0	0	0	0	109.4	A299 A302 L303 L326	A299-A309 HydrophobicContact CB-CB 3.98Å; A302-A309 HydrophobicContact CB-CB 4.19Å; L303-A309 HydrophobicContact CD2-CB 4.2Å; L303-A309 HydrophobicContact CG-CB 4.13Å; A309-L326 PolarHBondContact N-O 2.82Å; A309-L326 PolarHBondContact O-N 3.02Å
310	R	97.6	Very high	96.2	Very high	173 Å²	173	69.9 Å²	69.9	65%	0.653	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95	139.4	172.5	-62.3	-169.9	76.4	179.9	-1.6	109.3	E312 S323	R310-E312 HydrophobicContact CB-CG 4.36Å; R310-E312 IonicContact CZ-OE1 3.58Å; R310-E312 IonicContact NE-OE1 3.04Å; R310-E312 PolarHBondContact NE-OE1 2.9Å; R310-E312 VanDerWaalsContact NE-OE1 3.11Å; R310-E312 IonicContact NH1-OE1 2.79Å; R310-E312 PolarHBondContact NH1-OE1 3.33Å; R310-E312 IonicContact NH2-OE1 3.46Å; R310-E312 PolarHBondContact NH2-OE1 2.93Å; R310-E312 VanDerWaalsContact NH2-OE1 3.07Å; R310-S323 PolarHBondContact NH2-OG 3.22Å
311	I	98	Very high	96.1	Very high	1 Å²	1	73.9 Å²	73.9	1%	0.005	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	111.3	173.9	-62.7	172.8	0	0	0	106.4	F270 E295 V296 A299 I313 F322 S323 E324 L326	F270-I311 HydrophobicContact CD2-CD1 3.97Å; F270-I311 HydrophobicContact CE2-CD1 3.3Å; F270-I311 HydrophobicContact CZ-CD1 3.8Å; E295-I311 HydrophobicContact CB-CG2 3.82Å; V296-I311 HydrophobicContact CG2-CD1 4.19Å; A299-I311 HydrophobicContact CB-CD1 3.91Å; A299-I311 HydrophobicContact CB-CG1 3.74Å; I311-I313 HydrophobicContact CG2-CD1 4.43Å; I311-F322 HydrophobicContact CB-CE1 4.07Å; I311-F322 HydrophobicContact CG2-CD1 3.89Å; I311-F322 HydrophobicContact CG2-CE1 3.57Å; I311-S323 WeakPolarHBondContact O-CA 3.31Å; I311-E324 PolarHBondContact N-O 3.5Å; I311-E324 PolarHBondContact O-N 3.19Å; I311-L326 HydrophobicContact CD1-CB 4.4Å
312	E	97.5	Very high	96.1	Very high	104 Å²	104	68.9 Å²	68.9	49%	0.486	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	122.6	-174.7	-65	-178.6	158.8	0	0	109.2	R310 F322 S323	R310-E312 HydrophobicContact CB-CG 4.36Å; R310-E312 IonicContact CZ-OE1 3.58Å; R310-E312 IonicContact NE-OE1 3.04Å; R310-E312 PolarHBondContact NE-OE1 2.9Å; R310-E312 VanDerWaalsContact NE-OE1 3.11Å; R310-E312 IonicContact NH1-OE1 2.79Å; R310-E312 PolarHBondContact NH1-OE1 3.33Å; R310-E312 IonicContact NH2-OE1 3.46Å; R310-E312 PolarHBondContact NH2-OE1 2.93Å; R310-E312 VanDerWaalsContact NH2-OE1 3.07Å; E312-F322 CarbonylContact C-O 3.58Å; E312-F322 VanDerWaalsContact CA-O 3.28Å; E312-F322 WeakPolarHBondContact CA-O 3.41Å; E312-S323 PolarHBondContact OE1-OG 3.09Å
313	I	97.3	Very high	96	Very high	10 Å²	10	69.7 Å²	69.7	5%	0.051	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	111.6	-180	-49.8	168.5	0	0	0	108.6	K291 L292 E295 I311 F316 F322	K291-I313 HydrophobicContact CB-CD1 4.41Å; K291-I313 HydrophobicContact CB-CG2 4.12Å; K291-I313 HydrophobicContact CD-CG2 3.93Å; L292-I313 HydrophobicContact CB-CD1 4.45Å; L292-I313 HydrophobicContact CD1-CD1 4.32Å; E295-I313 HydrophobicContact CB-CD1 4.36Å; E295-I313 HydrophobicContact CB-CG1 4.35Å; E295-I313 HydrophobicContact CG-CD1 4.09Å; E295-I313 HydrophobicContact CG-CG1 3.74Å; I311-I313 HydrophobicContact CG2-CD1 4.43Å; I313-F316 HydrophobicContact CB-CB 4.17Å; I313-F316 HydrophobicContact CB-CD2 4.03Å; I313-F316 HydrophobicContact CB-CG 4.37Å; I313-F316 HydrophobicContact CD1-CD2 3.71Å; I313-F316 HydrophobicContact CD1-CE2 3.65Å; I313-F316 HydrophobicContact CD1-CZ 4.45Å; I313-F316 HydrophobicContact CG1-CD2 4.48Å; I313-F316 HydrophobicContact CG2-CB 4.06Å; I313-F316 HydrophobicContact CG2-CD2 3.75Å; I313-F316 HydrophobicContact CG2-CG 4.33Å; I313-F322 HydrophobicContact CB-CB 4.17Å; I313-F322 HydrophobicContact CD1-CD1 4.36Å; I313-F322 PolarHBondContact N-O 2.86Å; I313-F322 PolarHBondContact O-N 3.3Å
314	E	96.2	Very high	96	Very high	162 Å²	162	71 Å²	71	76%	0.757	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.8	141.8	174.1	-63.7	-179.6	176.8	0	0	111.2	F316 D321	E314-F316 VanDerWaalsContact C-N 3.25Å; E314-F316 PolarHBondContact O-N 2.9Å; E314-D321 WeakPolarHBondContact CA-OD1 3.46Å
315	S	93.4	Very high	96	Very high	74 Å²	74	73.7 Å²	73.7	52%	0.517	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	44.3	54.1	179.8	-67.5	0	0	0	0	111.5	K291 D321	K291-S315 PolarHBondContact NZ-O 2.95Å; S315-D321 PolarHBondContact N-OD1 3.43Å
316	F	95.4	Very high	96.1	Very high	7 Å²	7	66.7 Å²	66.7	3%	0.031	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	-53.8	-170.8	175.4	-127	0	0	0	112.1	Y274 I282 A288 K291 L292 I313 E314 N320 F322	Y274-F316 HydrophobicContact CD2-CD1 4.26Å; Y274-F316 HydrophobicContact CD2-CE1 4.2Å; Y274-F316 AromaticContact CE2-CD1 3.9Å; Y274-F316 HydrophobicContact CE2-CD1 3.9Å; Y274-F316 HydrophobicContact CE2-CE1 4.27Å; Y274-F316 HydrophobicContact CG-CE1 4.39Å; I282-F316 HydrophobicContact CB-CE1 4.5Å; I282-F316 HydrophobicContact CD1-CE1 3.79Å; I282-F316 HydrophobicContact CD1-CE2 4.39Å; I282-F316 HydrophobicContact CD1-CZ 3.35Å; I282-F316 HydrophobicContact CG2-CD1 4.41Å; I282-F316 HydrophobicContact CG2-CE1 3.74Å; I282-F316 HydrophobicContact CG2-CZ 4.27Å; A288-F316 HydrophobicContact CB-CD2 4.49Å; A288-F316 HydrophobicContact CB-CE2 4.27Å; A288-F316 WeakPolarHBondContact CB-O 3.33Å; A288-F316 WeakPolarHBondContact O-CE2 3.44Å; K291-F316 HydrophobicContact CB-CE2 4.5Å; L292-F316 HydrophobicContact CB-CE2 3.91Å; L292-F316 HydrophobicContact CB-CZ 3.95Å; L292-F316 HydrophobicContact CD1-CZ 4.45Å; L292-F316 HydrophobicContact CD2-CZ 4.4Å; L292-F316 HydrophobicContact CG-CZ 4.49Å; I313-F316 HydrophobicContact CB-CB 4.17Å; I313-F316 HydrophobicContact CB-CD2 4.03Å; I313-F316 HydrophobicContact CB-CG 4.37Å; I313-F316 HydrophobicContact CD1-CD2 3.71Å; I313-F316 HydrophobicContact CD1-CE2 3.65Å; I313-F316 HydrophobicContact CD1-CZ 4.45Å; I313-F316 HydrophobicContact CG1-CD2 4.48Å; I313-F316 HydrophobicContact CG2-CB 4.06Å; I313-F316 HydrophobicContact CG2-CD2 3.75Å; I313-F316 HydrophobicContact CG2-CG 4.33Å; E314-F316 VanDerWaalsContact C-N 3.25Å; E314-F316 PolarHBondContact O-N 2.9Å; F316-N320 WeakPolarHBondContact CB-O 3.48Å; F316-N320 PolarHBondContact N-O 2.9Å; F316-F322 HydrophobicContact CB-CB 3.8Å; F316-F322 HydrophobicContact CD1-CB 3.62Å; F316-F322 AromaticContact CD1-CD2 3.91Å; F316-F322 HydrophobicContact CD1-CD2 3.91Å; F316-F322 HydrophobicContact CD1-CG 4.07Å; F316-F322 HydrophobicContact CD2-CB 4.48Å; F316-F322 HydrophobicContact CE1-CB 4.23Å; F316-F322 AromaticContact CE1-CD2 3.76Å; F316-F322 HydrophobicContact CE1-CD2 3.76Å; F316-F322 HydrophobicContact CE1-CE2 4.45Å; F316-F322 HydrophobicContact CE1-CG 4.18Å; F316-F322 HydrophobicContact CG-CB 3.73Å; F316-F322 HydrophobicContact CG-CG 4.48Å
317	F	95	Very high	96.2	Very high	25 Å²	25	66.7 Å²	66.7	11%	0.11	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	125.1	-179.3	-172.1	-96.9	0	0	0	110.7	Y274 K280 I282 A288 G319 N320	Y274-F317 HydrophobicContact CE1-CB 4.26Å; Y274-F317 HydrophobicContact CE1-CD1 4.19Å; Y274-F317 PolarHBondContact OH-O 3.47Å; K280-F317 HydrophobicContact CB-CD1 4.09Å; K280-F317 HydrophobicContact CB-CE1 3.97Å; K280-F317 HydrophobicContact CD-CD1 4.1Å; K280-F317 HydrophobicContact CD-CE1 4.19Å; K280-F317 HydrophobicContact CG-CE1 4.42Å; I282-F317 HydrophobicContact CB-CD2 4.2Å; I282-F317 HydrophobicContact CB-CG 4.38Å; I282-F317 HydrophobicContact CG2-CB 3.89Å; I282-F317 HydrophobicContact CG2-CD1 4.22Å; I282-F317 HydrophobicContact CG2-CD2 4.15Å; I282-F317 HydrophobicContact CG2-CG 3.82Å; A288-F317 HydrophobicContact CB-CB 4.48Å; A288-F317 HydrophobicContact CB-CD2 3.91Å; F317-G319 VanDerWaalsContact C-N 3.27Å; F317-G319 PolarHBondContact O-N 2.75Å; F317-N320 PolarHBondContact N-O 3.24Å; F317-N320 PolarHBondContact O-N 2.93Å
318	D	91.2	Very high	96.2	Very high	106 Å²	106	61.6 Å²	61.6	57%	0.567	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	40.1	-174.2	-64	-14.5	0	0	0	114.1	K280 N320	K280-D318 HydrophobicContact CD-CB 4.39Å; K280-D318 WeakPolarHBondContact CD-OD2 3.5Å; K280-D318 WeakPolarHBondContact CE-OD2 3.37Å; K280-D318 IonicContact NZ-OD2 2.8Å; K280-D318 PolarHBondContact NZ-OD2 2.89Å; D318-N320 PolarHBondContact O-N 3.21Å
319	G	90.2	Very high	96.2	Very high	56 Å²	56	58.4 Å²	58.4	58%	0.577	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	-4.5	179.6	0	0	0	0	0	115.4	F317	F317-G319 VanDerWaalsContact C-N 3.27Å; F317-G319 PolarHBondContact O-N 2.75Å
320	N	92.8	Very high	96.3	Very high	56 Å²	56	60.2 Å²	60.2	30%	0.299	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	138.2	173.1	-65.2	-33.9	0	0	0	110.6	Y274 F316 F317 D318	Y274-N320 WeakPolarHBondContact OH-CB 3.33Å; F316-N320 WeakPolarHBondContact CB-O 3.48Å; F316-N320 PolarHBondContact N-O 2.9Å; F317-N320 PolarHBondContact N-O 3.24Å; F317-N320 PolarHBondContact O-N 2.93Å; D318-N320 PolarHBondContact O-N 3.21Å
321	D	95.2	Very high	96.3	Very high	101 Å²	101	52.2 Å²	52.2	54%	0.54	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	157.1	169.9	-59.7	-31.6	0	0	0	111.3	E314 S315	E314-D321 WeakPolarHBondContact CA-OD1 3.46Å; S315-D321 PolarHBondContact N-OD1 3.43Å
322	F	97.2	Very high	96.3	Very high	5 Å²	5	54 Å²	54	2%	0.022	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	122.6	171	-176.1	-89	0	0	0	109	F270 Y274 L292 I311 E312 I313 F316 E324	F270-F322 HydrophobicContact CB-CE2 4.46Å; F270-F322 HydrophobicContact CB-CZ 3.91Å; F270-F322 HydrophobicContact CD1-CE1 4.48Å; F270-F322 AromaticContact CD1-CZ 3.66Å; F270-F322 HydrophobicContact CD1-CZ 3.66Å; F270-F322 HydrophobicContact CE1-CZ 4.38Å; F270-F322 AromaticContact CG-CZ 3.86Å; F270-F322 HydrophobicContact CG-CZ 3.86Å; Y274-F322 AromaticContact CD2-CD2 3.64Å; Y274-F322 HydrophobicContact CD2-CD2 3.64Å; Y274-F322 HydrophobicContact CD2-CE2 4.09Å; Y274-F322 HydrophobicContact CE2-CD2 4.22Å; L292-F322 HydrophobicContact CD1-CE1 4.29Å; L292-F322 HydrophobicContact CD1-CZ 4.34Å; I311-F322 HydrophobicContact CB-CE1 4.07Å; I311-F322 HydrophobicContact CG2-CD1 3.89Å; I311-F322 HydrophobicContact CG2-CE1 3.57Å; E312-F322 CarbonylContact C-O 3.58Å; E312-F322 VanDerWaalsContact CA-O 3.28Å; E312-F322 WeakPolarHBondContact CA-O 3.41Å; I313-F322 HydrophobicContact CB-CB 4.17Å; I313-F322 HydrophobicContact CD1-CD1 4.36Å; I313-F322 PolarHBondContact N-O 2.86Å; I313-F322 PolarHBondContact O-N 3.3Å; F316-F322 HydrophobicContact CB-CB 3.8Å; F316-F322 HydrophobicContact CD1-CB 3.62Å; F316-F322 AromaticContact CD1-CD2 3.91Å; F316-F322 HydrophobicContact CD1-CD2 3.91Å; F316-F322 HydrophobicContact CD1-CG 4.07Å; F316-F322 HydrophobicContact CD2-CB 4.48Å; F316-F322 HydrophobicContact CE1-CB 4.23Å; F316-F322 AromaticContact CE1-CD2 3.76Å; F316-F322 HydrophobicContact CE1-CD2 3.76Å; F316-F322 HydrophobicContact CE1-CE2 4.45Å; F316-F322 HydrophobicContact CE1-CG 4.18Å; F316-F322 HydrophobicContact CG-CB 3.73Å; F316-F322 HydrophobicContact CG-CG 4.48Å; F322-E324 HydrophobicContact CD1-CG 4.37Å; F322-E324 HydrophobicContact CD2-CG 4.48Å; F322-E324 HydrophobicContact CE1-CB 3.85Å; F322-E324 HydrophobicContact CE1-CG 3.66Å; F322-E324 HydrophobicContact CE2-CG 3.78Å; F322-E324 HydrophobicContact CZ-CB 3.91Å; F322-E324 HydrophobicContact CZ-CG 3.33Å
323	S	97.2	Very high	96.4	Very high	60 Å²	60	54.9 Å²	54.9	42%	0.42	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	109.5	172.6	-172.5	0	0	0	0	108.9	R310 I311 E312	R310-S323 PolarHBondContact NH2-OG 3.22Å; I311-S323 WeakPolarHBondContact O-CA 3.31Å; E312-S323 PolarHBondContact OE1-OG 3.09Å
324	E	97.7	Very high	96.5	Very high	30 Å²	30	56 Å²	56	14%	0.14	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	162	177.4	-62	-66.5	171.1	0	0	110.5	F270 L273 K277 I311 F322	F270-E324 HydrophobicContact CD1-CB 4.16Å; F270-E324 HydrophobicContact CD1-CG 4.16Å; F270-E324 HydrophobicContact CE1-CB 3.61Å; F270-E324 HydrophobicContact CE1-CG 4.07Å; F270-E324 HydrophobicContact CZ-CB 4.34Å; L273-E324 HydrophobicContact CD2-CG 4.06Å; K277-E324 WeakPolarHBondContact CD-OE1 2.97Å; K277-E324 WeakPolarHBondContact CE-OE1 3.32Å; K277-E324 IonicContact NZ-OE1 3.56Å; K277-E324 PolarHBondContact NZ-OE1 3.25Å; K277-E324 IonicContact NZ-OE2 2.81Å; K277-E324 PolarHBondContact NZ-OE2 3.46Å; I311-E324 PolarHBondContact N-O 3.5Å; I311-E324 PolarHBondContact O-N 3.19Å; F322-E324 HydrophobicContact CD1-CG 4.37Å; F322-E324 HydrophobicContact CD2-CG 4.48Å; F322-E324 HydrophobicContact CE1-CB 3.85Å; F322-E324 HydrophobicContact CE1-CG 3.66Å; F322-E324 HydrophobicContact CE2-CG 3.78Å; F322-E324 HydrophobicContact CZ-CB 3.91Å; F322-E324 HydrophobicContact CZ-CG 3.33Å
325	S	97.3	Very high	96.6	Very high	76 Å²	76	48.2 Å²	48.2	53%	0.531	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	138.2	171.7	62.9	0	0	0	0	110.3
326	L	98.5	Very high	96.8	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	119.9	171.2	-174.4	64.5	0	0	0	108.3	V266 F270 A299 L303 Q308 A309 I311 K330 F331	V266-L326 HydrophobicContact CG1-CD1 4.37Å; V266-L326 HydrophobicContact CG1-CD2 3.74Å; V266-L326 HydrophobicContact CG2-CD2 4.44Å; F270-L326 HydrophobicContact CE2-CB 4.34Å; F270-L326 HydrophobicContact CE2-CD1 4.14Å; F270-L326 HydrophobicContact CE2-CD2 4.4Å; F270-L326 HydrophobicContact CZ-CB 4.01Å; F270-L326 HydrophobicContact CZ-CD1 4.03Å; F270-L326 HydrophobicContact CZ-CG 4.49Å; A299-L326 HydrophobicContact CB-CD2 4.43Å; L303-L326 HydrophobicContact CD1-CB 4.32Å; L303-L326 HydrophobicContact CD1-CD2 3.56Å; L303-L326 HydrophobicContact CD1-CG 3.67Å; Q308-L326 CarbonylContact C-O 3.6Å; Q308-L326 WeakPolarHBondContact CA-O 3.34Å; A309-L326 PolarHBondContact N-O 2.82Å; A309-L326 PolarHBondContact O-N 3.02Å; I311-L326 HydrophobicContact CD1-CB 4.4Å; L326-K330 HydrophobicContact CD1-CB 4.26Å; L326-K330 HydrophobicContact CD1-CG 4.17Å; L326-F331 HydrophobicContact CD2-CB 4.43Å; L326-F331 HydrophobicContact CG-CB 4.48Å
327	T	98.5	Very high	96.9	Very high	56 Å²	56	50.6 Å²	50.6	34%	0.344	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	153.1	172.3	67.6	0	0	0	0	110.2	H307 A329 K330 F331	H307-T327 CarbonylContact O-C 3.53Å; H307-T327 WeakPolarHBondContact O-CA 3.47Å; T327-A329 PolarHBondContact O-N 2.84Å; T327-K330 PolarHBondContact O-N 3.34Å; T327-K330 VanDerWaalsContact O-N 3.11Å; T327-K330 WeakPolarHBondContact OG1-CB 3.39Å; T327-K330 PolarHBondContact OG1-N 2.91Å; T327-K330 VanDerWaalsContact OG1-N 3.14Å; T327-F331 PolarHBondContact O-N 2.71Å
328	R	98.5	Very high	97.1	Very high	38 Å²	38	50.6 Å²	50.6	14%	0.143	29%	0.293	C	S	.	.	H	α-helix	trans	-56.9	-42.2	173.7	-174.3	-175.3	-65.4	167.6	-1.4	110.9	L303 S306 H307 K330 F331 E332	L303-R328 HydrophobicContact CD2-CB 4.16Å; L303-R328 VanDerWaalsContact O-CZ 3.3Å; L303-R328 PolarHBondContact O-NE 2.78Å; L303-R328 PolarHBondContact O-NH2 2.91Å; S306-R328 VanDerWaalsContact C-NH2 3.27Å; S306-R328 PolarHBondContact O-NE 2.87Å; S306-R328 PolarHBondContact O-NH2 2.87Å; H307-R328 PolarHBondContact O-N 3.22Å; R328-K330 VanDerWaalsContact C-N 3.3Å; R328-K330 PolarHBondContact O-N 2.82Å; R328-F331 PolarHBondContact O-N 3.07Å; R328-E332 WeakPolarHBondContact CD-OE1 3.33Å; R328-E332 HydrophobicContact CG-CG 4.31Å; R328-E332 WeakPolarHBondContact CG-OE1 3.38Å; R328-E332 WeakPolarHBondContact O-CB 3.28Å; R328-E332 WeakPolarHBondContact O-CG 3.37Å; R328-E332 PolarHBondContact O-N 3Å
329	A	98.4	Very high	97.4	Very high	71 Å²	71	45.6 Å²	45.6	59%	0.587	27%	0.266	S	S	*	.	H	α-helix	trans	-58.8	-41.4	177	0	0	0	0	0	112	T327 E332 E333	T327-A329 PolarHBondContact O-N 2.84Å; A329-E332 PolarHBondContact O-N 3.46Å; A329-E333 WeakPolarHBondContact O-CB 3.32Å; A329-E333 PolarHBondContact O-N 3.35Å
330	K	98.5	Very high	97.8	Very high	52 Å²	52	49.4 Å²	49.4	23%	0.226	26%	0.263	C	S	.	.	H	α-helix	trans	-69.4	-42.5	177	-174	56.8	179.9	179.2	0	112.2	L326 T327 R328 E332 E333 L334	L326-K330 HydrophobicContact CD1-CB 4.26Å; L326-K330 HydrophobicContact CD1-CG 4.17Å; T327-K330 PolarHBondContact O-N 3.34Å; T327-K330 VanDerWaalsContact O-N 3.11Å; T327-K330 WeakPolarHBondContact OG1-CB 3.39Å; T327-K330 PolarHBondContact OG1-N 2.91Å; T327-K330 VanDerWaalsContact OG1-N 3.14Å; R328-K330 VanDerWaalsContact C-N 3.3Å; R328-K330 PolarHBondContact O-N 2.82Å; K330-E332 VanDerWaalsContact C-N 3.31Å; K330-E332 PolarHBondContact O-N 3.33Å; K330-E333 WeakPolarHBondContact CD-OE2 3.33Å; K330-E333 IonicContact NZ-OE1 2.71Å; K330-E333 PolarHBondContact NZ-OE1 2.83Å; K330-E333 IonicContact NZ-OE2 3.58Å; K330-E333 PolarHBondContact NZ-OE2 3.17Å; K330-E333 PolarHBondContact O-N 3.26Å; K330-L334 HydrophobicContact CD-CG 4.43Å; K330-L334 HydrophobicContact CG-CD1 4.26Å; K330-L334 VanDerWaalsContact O-CG 3.27Å; K330-L334 WeakPolarHBondContact O-CG 3.48Å; K330-L334 PolarHBondContact O-N 3.27Å
331	F	98.7	Very high	98	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.018	26%	0.261	C	S	.	.	H	α-helix	trans	-57.5	-45	173.8	169.1	-107	0	0	0	111.9	F262 V266 K300 L303 L326 T327 R328 L334 N335 F339 I372	F262-F331 HydrophobicContact CB-CE2 4.12Å; F262-F331 HydrophobicContact CB-CZ 4.28Å; V266-F331 HydrophobicContact CG2-CD2 3.69Å; V266-F331 HydrophobicContact CG2-CE2 4.17Å; K300-F331 HydrophobicContact CB-CE2 4.49Å; K300-F331 HydrophobicContact CD-CE2 4.28Å; K300-F331 HydrophobicContact CD-CZ 4.23Å; K300-F331 HydrophobicContact CG-CE2 3.93Å; K300-F331 HydrophobicContact CG-CZ 3.83Å; L303-F331 HydrophobicContact CD1-CB 3.85Å; L303-F331 HydrophobicContact CD1-CG 4.31Å; L326-F331 HydrophobicContact CD2-CB 4.43Å; L326-F331 HydrophobicContact CG-CB 4.48Å; T327-F331 PolarHBondContact O-N 2.71Å; R328-F331 PolarHBondContact O-N 3.07Å; F331-L334 PolarHBondContact O-N 3.03Å; F331-N335 WeakPolarHBondContact CD2-ND2 3.27Å; F331-N335 VanDerWaalsContact CE2-ND2 3.33Å; F331-N335 WeakPolarHBondContact CE2-ND2 3.47Å; F331-N335 PolarHBondContact O-N 3.4Å; F331-N335 PolarHBondContact O-ND2 2.85Å; F331-F339 HydrophobicContact CD1-CZ 4.5Å; F331-F339 HydrophobicContact CE1-CE2 4.24Å; F331-F339 AromaticContact CE1-CZ 3.67Å; F331-F339 HydrophobicContact CE1-CZ 3.67Å; F331-F339 AromaticContact CZ-CZ 3.78Å; F331-F339 HydrophobicContact CZ-CZ 3.78Å; F331-I372 HydrophobicContact CE1-CD1 4.29Å; F331-I372 HydrophobicContact CE1-CG1 4.44Å; F331-I372 HydrophobicContact CE1-CG2 4.03Å; F331-I372 HydrophobicContact CZ-CD1 4.04Å
332	E	98.6	Very high	98.1	Very high	40 Å²	40	43.6 Å²	43.6	19%	0.187	24%	0.235	C	C	.	.	H	α-helix	trans	-65	-42	176.8	-72.3	177.8	-166.4	0	0	112.2	R328 A329 K330 L334 N335 M336 F339 K374	R328-E332 WeakPolarHBondContact CD-OE1 3.33Å; R328-E332 HydrophobicContact CG-CG 4.31Å; R328-E332 WeakPolarHBondContact CG-OE1 3.38Å; R328-E332 WeakPolarHBondContact O-CB 3.28Å; R328-E332 WeakPolarHBondContact O-CG 3.37Å; R328-E332 PolarHBondContact O-N 3Å; A329-E332 PolarHBondContact O-N 3.46Å; K330-E332 VanDerWaalsContact C-N 3.31Å; K330-E332 PolarHBondContact O-N 3.33Å; E332-L334 VanDerWaalsContact C-N 3.34Å; E332-L334 PolarHBondContact O-N 2.91Å; E332-N335 CarbonylContact O-C 3.57Å; E332-N335 PolarHBondContact O-N 2.92Å; E332-M336 HydrophobicContact CB-CE 4.17Å; E332-M336 WeakPolarHBondContact O-CA 3.34Å; E332-M336 WeakPolarHBondContact O-CB 3.48Å; E332-M336 PolarHBondContact O-N 3Å; E332-F339 HydrophobicContact CG-CE2 4.4Å; E332-K374 HydrophobicContact CG-CB 3.88Å; E332-K374 HydrophobicContact CG-CG 4.16Å
333	E	98.5	Very high	98.2	Very high	121 Å²	121	44.6 Å²	44.6	57%	0.565	24%	0.24	S	C	*	.	H	α-helix	trans	-57.7	-45.4	175.4	-173.9	-153.5	140	0	0	111.7	A329 K330 N335	A329-E333 WeakPolarHBondContact O-CB 3.32Å; A329-E333 PolarHBondContact O-N 3.35Å; K330-E333 WeakPolarHBondContact CD-OE2 3.33Å; K330-E333 IonicContact NZ-OE1 2.71Å; K330-E333 PolarHBondContact NZ-OE1 2.83Å; K330-E333 IonicContact NZ-OE2 3.58Å; K330-E333 PolarHBondContact NZ-OE2 3.17Å; K330-E333 PolarHBondContact O-N 3.26Å; E333-N335 PolarHBondContact O-N 3.4Å
334	L	98.5	Very high	98.1	Very high	33 Å²	33	49 Å²	49	17%	0.173	25%	0.252	C	S	.	.	H	α-helix	trans	-66.6	-21.7	-178.1	-69.9	171.4	0	0	0	114	R265 V266 H269 K330 F331 E332	R265-L334 PolarHBondContact NH1-O 2.86Å; V266-L334 HydrophobicContact CG2-CD1 4.23Å; H269-L334 HydrophobicContact CB-CD1 3.77Å; H269-L334 HydrophobicContact CB-CD2 4.05Å; K330-L334 HydrophobicContact CD-CG 4.43Å; K330-L334 HydrophobicContact CG-CD1 4.26Å; K330-L334 VanDerWaalsContact O-CG 3.27Å; K330-L334 WeakPolarHBondContact O-CG 3.48Å; K330-L334 PolarHBondContact O-N 3.27Å; F331-L334 PolarHBondContact O-N 3.03Å; E332-L334 VanDerWaalsContact C-N 3.34Å; E332-L334 PolarHBondContact O-N 2.91Å
335	N	98.7	Very high	98	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-122.8	3.6	-171.5	-67.9	-64.8	0	0	0	113.9	F262 R265 F331 E332 E333 D337 L338 F339	F262-N335 WeakPolarHBondContact CA-OD1 3.34Å; F262-N335 HydrophobicContact CD1-CB 4.33Å; R265-N335 VanDerWaalsContact CB-OD1 3.31Å; R265-N335 WeakPolarHBondContact CB-OD1 3.33Å; R265-N335 VanDerWaalsContact CG-OD1 3.27Å; R265-N335 WeakPolarHBondContact CG-OD1 3.46Å; F331-N335 WeakPolarHBondContact CD2-ND2 3.27Å; F331-N335 VanDerWaalsContact CE2-ND2 3.33Å; F331-N335 WeakPolarHBondContact CE2-ND2 3.47Å; F331-N335 PolarHBondContact O-N 3.4Å; F331-N335 PolarHBondContact O-ND2 2.85Å; E332-N335 CarbonylContact O-C 3.57Å; E332-N335 PolarHBondContact O-N 2.92Å; E333-N335 PolarHBondContact O-N 3.4Å; N335-D337 PolarHBondContact O-N 3.42Å; N335-L338 PolarHBondContact O-N 2.73Å; N335-F339 HydrophobicContact CB-CD1 4.34Å; N335-F339 HydrophobicContact CB-CD2 4.2Å; N335-F339 HydrophobicContact CB-CE1 3.82Å; N335-F339 HydrophobicContact CB-CE2 3.69Å; N335-F339 HydrophobicContact CB-CZ 3.47Å; N335-F339 VanDerWaalsContact CB-CZ 3.47Å; N335-F339 WeakPolarHBondContact O-CG 3.27Å; N335-F339 PolarHBondContact O-N 3.16Å
336	M	98.4	Very high	98	Very high	46 Å²	46	44.8 Å²	44.8	23%	0.227	23%	0.225	C	C	.	.	H	α-helix	trans	-58.5	-36.3	-172.7	-171.5	63.7	57	0	0	112.8	E332 R340 K374	E332-M336 HydrophobicContact CB-CE 4.17Å; E332-M336 WeakPolarHBondContact O-CA 3.34Å; E332-M336 WeakPolarHBondContact O-CB 3.48Å; E332-M336 PolarHBondContact O-N 3Å; M336-R340 WeakPolarHBondContact O-CB 2.91Å; M336-R340 VanDerWaalsContact O-CG 3.25Å; M336-R340 WeakPolarHBondContact O-CG 3.25Å; M336-R340 PolarHBondContact O-N 3.14Å; M336-R340 HydrophobicContact SD-CG 4.45Å; M336-K374 HydrophobicContact CE-CD 4.42Å; M336-K374 HydrophobicContact CE-CG 4.49Å
337	D	98.2	Very high	98	Very high	85 Å²	85	49.5 Å²	49.5	46%	0.455	25%	0.247	S	C	.	.	H	α-helix	trans	-64.2	-43.9	176.6	62	-54.6	0	0	0	111.7	R265 N335 R340 S341	R265-D337 IonicContact CZ-OD1 3.62Å; R265-D337 IonicContact CZ-OD2 3.68Å; R265-D337 IonicContact NH1-OD1 2.85Å; R265-D337 PolarHBondContact NH1-OD1 3.47Å; R265-D337 IonicContact NH1-OD2 3.71Å; R265-D337 PolarHBondContact NH1-OD2 3.14Å; R265-D337 IonicContact NH2-OD1 3.76Å; R265-D337 IonicContact NH2-OD2 2.99Å; R265-D337 PolarHBondContact NH2-OD2 3.34Å; N335-D337 PolarHBondContact O-N 3.42Å; D337-R340 PolarHBondContact O-N 3.43Å; D337-S341 PolarHBondContact O-N 3.39Å
338	L	98	Very high	97.8	Very high	25 Å²	25	49.2 Å²	49.2	13%	0.131	24%	0.241	C	C	.	.	H	α-helix	trans	-68.3	-42.1	176.3	-60.1	-179.1	0	0	0	111.4	L257 D261 F262 R265 N335 R340 S341 T342	L257-L338 HydrophobicContact CD1-CB 4.14Å; L257-L338 HydrophobicContact CD1-CD2 4.07Å; L257-L338 HydrophobicContact CD1-CG 4.49Å; D261-L338 HydrophobicContact CB-CD1 4.04Å; F262-L338 HydrophobicContact CD1-CB 4.36Å; F262-L338 HydrophobicContact CD1-CD1 3.91Å; F262-L338 HydrophobicContact CE1-CB 3.81Å; F262-L338 HydrophobicContact CE1-CD1 4.04Å; R265-L338 HydrophobicContact CG-CD1 4.14Å; N335-L338 PolarHBondContact O-N 2.73Å; L338-R340 VanDerWaalsContact C-N 3.32Å; L338-R340 PolarHBondContact O-N 2.87Å; L338-S341 PolarHBondContact O-N 3.29Å; L338-S341 PolarHBondContact O-OG 2.89Å; L338-T342 WeakPolarHBondContact O-CG2 3.46Å; L338-T342 PolarHBondContact O-N 2.86Å
339	F	98.4	Very high	97.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.1	-41	176.1	-62	-23.7	0	0	0	111.9	F262 F331 E332 N335 T342 I372 K374 V375 L378	F262-F339 HydrophobicContact CD1-CD1 4.45Å; F262-F339 AromaticContact CD1-CE1 3.82Å; F262-F339 HydrophobicContact CD1-CE1 3.82Å; F262-F339 HydrophobicContact CD2-CE1 4.09Å; F262-F339 AromaticContact CE1-CD1 3.89Å; F262-F339 HydrophobicContact CE1-CD1 3.89Å; F262-F339 AromaticContact CE1-CE1 3.65Å; F262-F339 HydrophobicContact CE1-CE1 3.65Å; F262-F339 AromaticContact CE2-CE1 3.93Å; F262-F339 HydrophobicContact CE2-CE1 3.93Å; F262-F339 HydrophobicContact CG-CE1 4.07Å; F262-F339 AromaticContact CZ-CD1 3.95Å; F262-F339 HydrophobicContact CZ-CD1 3.95Å; F262-F339 AromaticContact CZ-CE1 3.72Å; F262-F339 HydrophobicContact CZ-CE1 3.72Å; F331-F339 HydrophobicContact CD1-CZ 4.5Å; F331-F339 HydrophobicContact CE1-CE2 4.24Å; F331-F339 AromaticContact CE1-CZ 3.67Å; F331-F339 HydrophobicContact CE1-CZ 3.67Å; F331-F339 AromaticContact CZ-CZ 3.78Å; F331-F339 HydrophobicContact CZ-CZ 3.78Å; E332-F339 HydrophobicContact CG-CE2 4.4Å; N335-F339 HydrophobicContact CB-CD1 4.34Å; N335-F339 HydrophobicContact CB-CD2 4.2Å; N335-F339 HydrophobicContact CB-CE1 3.82Å; N335-F339 HydrophobicContact CB-CE2 3.69Å; N335-F339 HydrophobicContact CB-CZ 3.47Å; N335-F339 VanDerWaalsContact CB-CZ 3.47Å; N335-F339 WeakPolarHBondContact O-CG 3.27Å; N335-F339 PolarHBondContact O-N 3.16Å; F339-T342 PolarHBondContact O-N 3.03Å; F339-T342 PolarHBondContact O-OG1 2.86Å; F339-I372 HydrophobicContact CE1-CD1 4.1Å; F339-I372 HydrophobicContact CE1-CG2 4.49Å; F339-I372 HydrophobicContact CE2-CG2 4.39Å; F339-I372 HydrophobicContact CZ-CD1 4.27Å; F339-I372 HydrophobicContact CZ-CG2 4.03Å; F339-K374 HydrophobicContact CD2-CB 4.12Å; F339-K374 HydrophobicContact CD2-CG 3.76Å; F339-K374 HydrophobicContact CE2-CB 4.19Å; F339-K374 HydrophobicContact CE2-CG 4.26Å; F339-V375 HydrophobicContact CD1-CG2 4.02Å; F339-V375 HydrophobicContact CE1-CG2 4.32Å; F339-V375 HydrophobicContact CG-CG2 4.47Å; F339-L378 HydrophobicContact CB-CD1 3.74Å
340	R	97.9	Very high	97.7	Very high	136 Å²	136	44.5 Å²	44.5	51%	0.513	21%	0.209	S	C	.	.	H	α-helix	trans	-71.1	-31.8	177.3	-72.4	-178.7	-173.8	-74	2.8	112.9	M336 D337 L338 T342 M343	M336-R340 WeakPolarHBondContact O-CB 2.91Å; M336-R340 VanDerWaalsContact O-CG 3.25Å; M336-R340 WeakPolarHBondContact O-CG 3.25Å; M336-R340 PolarHBondContact O-N 3.14Å; M336-R340 HydrophobicContact SD-CG 4.45Å; D337-R340 PolarHBondContact O-N 3.43Å; L338-R340 VanDerWaalsContact C-N 3.32Å; L338-R340 PolarHBondContact O-N 2.87Å; R340-T342 PolarHBondContact O-N 3.26Å; R340-M343 PolarHBondContact O-N 2.86Å; R340-M343 VanDerWaalsContact O-N 3.16Å
341	S	97.2	Very high	97.6	Very high	36 Å²	36	47.9 Å²	47.9	25%	0.252	23%	0.225	S	C	.	.	H	α-helix	trans	-61.9	-30.7	178.3	72.1	0	0	0	0	111.8	D337 L338 M343 K344 P345	D337-S341 PolarHBondContact O-N 3.39Å; L338-S341 PolarHBondContact O-N 3.29Å; L338-S341 PolarHBondContact O-OG 2.89Å; S341-M343 PolarHBondContact O-N 3.31Å; S341-M343 VanDerWaalsContact O-N 3.14Å; S341-K344 WeakPolarHBondContact O-CB 3.36Å; S341-K344 PolarHBondContact O-N 3.07Å; S341-P345 VanDerWaalsContact O-CD 3.3Å; S341-P345 WeakPolarHBondContact O-CD 3.19Å
342	T	97.7	Very high	97.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-21	177	72	0	0	0	0	114.3	Y227 L229 F234 L257 L338 F339 R340 K344 P345 V346	Y227-T342 WeakPolarHBondContact OH-CB 3.16Å; Y227-T342 WeakPolarHBondContact OH-CG2 3.47Å; Y227-T342 PolarHBondContact OH-OG1 3.35Å; L229-T342 HydrophobicContact CD1-CG2 4.4Å; F234-T342 HydrophobicContact CD1-CG2 4.26Å; F234-T342 VanDerWaalsContact CE1-CA 3.44Å; F234-T342 HydrophobicContact CE1-CG2 4.13Å; F234-T342 VanDerWaalsContact CE1-O 3.26Å; F234-T342 WeakPolarHBondContact CE1-O 3.35Å; F234-T342 HydrophobicContact CE2-CG2 4.48Å; F234-T342 HydrophobicContact CG-CG2 4.47Å; F234-T342 HydrophobicContact CZ-CG2 4.25Å; F234-T342 VanDerWaalsContact CZ-O 3.27Å; F234-T342 WeakPolarHBondContact CZ-O 3.4Å; L257-T342 HydrophobicContact CD2-CG2 3.91Å; L338-T342 WeakPolarHBondContact O-CG2 3.46Å; L338-T342 PolarHBondContact O-N 2.86Å; F339-T342 PolarHBondContact O-N 3.03Å; F339-T342 PolarHBondContact O-OG1 2.86Å; R340-T342 PolarHBondContact O-N 3.26Å; T342-K344 VanDerWaalsContact C-N 3.31Å; T342-P345 WeakPolarHBondContact O-CD 3.43Å; T342-V346 WeakPolarHBondContact O-CG2 3.49Å
343	M	97.7	Very high	97.2	Very high	25 Å²	25	49.8 Å²	49.8	12%	0.123	24%	0.241	C	C	.	.	H	α-helix	trans	-76.5	-19.2	177.7	-63.2	-62.4	96.4	0	0	112.7	Y227 R340 S341 V346 Q347 L378 L379 F382	Y227-M343 HydrophobicContact CE2-CE 3.7Å; R340-M343 PolarHBondContact O-N 2.86Å; R340-M343 VanDerWaalsContact O-N 3.16Å; S341-M343 PolarHBondContact O-N 3.31Å; S341-M343 VanDerWaalsContact O-N 3.14Å; M343-V346 HydrophobicContact CE-CG2 4.14Å; M343-V346 PolarHBondContact O-N 3.48Å; M343-Q347 PolarHBondContact O-N 2.73Å; M343-L378 HydrophobicContact SD-CB 4.33Å; M343-L379 HydrophobicContact CE-CD2 3.7Å; M343-L379 HydrophobicContact CE-CG 3.9Å; M343-L379 HydrophobicContact SD-CD2 4.29Å; M343-F382 HydrophobicContact SD-CB 3.98Å; M343-F382 HydrophobicContact SD-CD2 4.18Å; M343-F382 HydrophobicContact SD-CG 4.2Å
344	K	96.6	Very high	97.1	Very high	154 Å²	154	47.1 Å²	47.1	67%	0.67	25%	0.246	S	C	*	.	H	α-helix	trans	-67.4	-47.9	179.5	-64	178.8	-179.7	179.2	0	111.7	S341 T342 V346 Q347 K348	S341-K344 WeakPolarHBondContact O-CB 3.36Å; S341-K344 PolarHBondContact O-N 3.07Å; T342-K344 VanDerWaalsContact C-N 3.31Å; K344-V346 VanDerWaalsContact C-N 3.31Å; K344-V346 PolarHBondContact O-N 3.33Å; K344-Q347 PolarHBondContact O-N 3.11Å; K344-K348 PolarHBondContact O-N 3.37Å
345	P	95.3	Very high	97	Very high	17 Å²	17	47.4 Å²	47.4	11%	0.11	25%	0.247	C	C	.	.	H	α-helix	trans	-58.9	-38	171.4	-31	40.8	0	0	0	113.8	F234 V236 A252 S341 T342 Q347 K348 V349	F234-P345 HydrophobicContact CD1-CG 4.15Å; F234-P345 HydrophobicContact CE1-CB 3.85Å; F234-P345 HydrophobicContact CE1-CG 3.65Å; V236-P345 HydrophobicContact CB-CB 4.41Å; V236-P345 HydrophobicContact CG2-CB 3.93Å; A252-P345 HydrophobicContact CB-CB 4.02Å; S341-P345 VanDerWaalsContact O-CD 3.3Å; S341-P345 WeakPolarHBondContact O-CD 3.19Å; T342-P345 WeakPolarHBondContact O-CD 3.43Å; P345-Q347 VanDerWaalsContact C-N 3.35Å; P345-Q347 PolarHBondContact O-N 3.4Å; P345-K348 PolarHBondContact O-N 2.89Å; P345-K348 VanDerWaalsContact O-N 3.17Å; P345-V349 PolarHBondContact O-N 2.99Å
346	V	97.7	Very high	96.9	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-59.5	-44.6	175.6	-177.9	0	0	0	0	111.7	L225 Y227 V236 T342 M343 K344 V349 L350 L379 F382 F383	L225-V346 HydrophobicContact CD1-CG1 4.14Å; Y227-V346 HydrophobicContact CD2-CG2 3.81Å; Y227-V346 HydrophobicContact CE2-CG2 3.91Å; V236-V346 HydrophobicContact CG1-CG2 4.17Å; V236-V346 HydrophobicContact CG2-CG2 3.82Å; T342-V346 WeakPolarHBondContact O-CG2 3.49Å; M343-V346 HydrophobicContact CE-CG2 4.14Å; M343-V346 PolarHBondContact O-N 3.48Å; K344-V346 VanDerWaalsContact C-N 3.31Å; K344-V346 PolarHBondContact O-N 3.33Å; V346-V349 VanDerWaalsContact O-CG2 3.26Å; V346-V349 WeakPolarHBondContact O-CG2 3.42Å; V346-L350 WeakPolarHBondContact O-CG 3.5Å; V346-L350 PolarHBondContact O-N 2.83Å; V346-L379 HydrophobicContact CG2-CD2 4.26Å; V346-F382 HydrophobicContact CB-CE1 4.45Å; V346-F382 HydrophobicContact CB-CZ 4.49Å; V346-F382 HydrophobicContact CG1-CD1 3.86Å; V346-F382 HydrophobicContact CG1-CE1 3.46Å; V346-F382 VanDerWaalsContact CG1-CE1 3.46Å; V346-F382 HydrophobicContact CG1-CZ 3.93Å; V346-F383 HydrophobicContact CG1-CE2 3.96Å; V346-F383 HydrophobicContact CG1-CZ 3.87Å
347	Q	97.3	Very high	96.9	Very high	100 Å²	100	53.6 Å²	53.6	47%	0.467	28%	0.278	S	S	.	.	H	α-helix	trans	-64.9	-43.5	174.9	-179.7	175	-12.6	0	0	111.6	M343 K344 P345 V349 L350 E351 F382	M343-Q347 PolarHBondContact O-N 2.73Å; K344-Q347 PolarHBondContact O-N 3.11Å; P345-Q347 VanDerWaalsContact C-N 3.35Å; P345-Q347 PolarHBondContact O-N 3.4Å; Q347-V349 PolarHBondContact O-N 3.29Å; Q347-L350 PolarHBondContact O-N 3.45Å; Q347-E351 HydrophobicContact CG-CG 4.46Å; Q347-E351 VanDerWaalsContact CG-OE1 3.28Å; Q347-E351 WeakPolarHBondContact CG-OE1 3.46Å; Q347-E351 PolarHBondContact NE2-OE1 3.41Å; Q347-E351 WeakPolarHBondContact O-CG 3.45Å; Q347-E351 PolarHBondContact O-N 3.19Å; Q347-F382 HydrophobicContact CB-CE2 4.46Å; Q347-F382 HydrophobicContact CB-CZ 4.25Å
348	K	95.1	Very high	96.8	Very high	51 Å²	51	57.8 Å²	57.8	22%	0.222	29%	0.292	C	S	.	.	H	α-helix	trans	-60.5	-43	-179	-174.7	178.9	174.1	-167.1	0	112.5	A252 K344 P345 L350 E351 D352	A252-K348 HydrophobicContact CB-CB 4.38Å; A252-K348 HydrophobicContact CB-CD 3.92Å; A252-K348 HydrophobicContact CB-CG 4.33Å; K344-K348 PolarHBondContact O-N 3.37Å; P345-K348 PolarHBondContact O-N 2.89Å; P345-K348 VanDerWaalsContact O-N 3.17Å; K348-L350 VanDerWaalsContact C-N 3.34Å; K348-L350 PolarHBondContact O-N 2.89Å; K348-E351 PolarHBondContact O-N 3.05Å; K348-D352 WeakPolarHBondContact O-CB 3.32Å; K348-D352 PolarHBondContact O-N 3.29Å
349	V	96.5	Very high	96.8	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-68.6	-33.1	179.3	-62.3	0	0	0	0	112.9	L225 V236 L238 A250 A252 P345 V346 Q347 A353	L225-V349 HydrophobicContact CD1-CG2 3.85Å; V236-V349 HydrophobicContact CB-CG1 4.36Å; V236-V349 HydrophobicContact CB-CG2 4.46Å; V236-V349 HydrophobicContact CG1-CG1 4.44Å; V236-V349 HydrophobicContact CG1-CG2 3.72Å; V236-V349 WeakPolarHBondContact O-CG1 3.23Å; L238-V349 HydrophobicContact CB-CB 4.41Å; L238-V349 HydrophobicContact CB-CG2 4.4Å; A250-V349 HydrophobicContact CB-CB 4.03Å; A250-V349 HydrophobicContact CB-CG1 4.37Å; A250-V349 WeakPolarHBondContact CB-O 3.43Å; A252-V349 HydrophobicContact CB-CG1 3.71Å; P345-V349 PolarHBondContact O-N 2.99Å; V346-V349 VanDerWaalsContact O-CG2 3.26Å; V346-V349 WeakPolarHBondContact O-CG2 3.42Å; Q347-V349 PolarHBondContact O-N 3.29Å; V349-A353 WeakPolarHBondContact O-CB 3.41Å; V349-A353 PolarHBondContact O-N 2.88Å
350	L	97.9	Very high	96.7	Very high	10 Å²	10	59.1 Å²	59.1	5%	0.052	30%	0.299	C	S	.	.	H	α-helix	trans	-66.2	-44.5	173.9	-74	172.4	0	0	0	111.1	L238 V346 Q347 K348 G354 L355 K357 V360 F382 F383	L238-L350 HydrophobicContact CD2-CD2 4.09Å; V346-L350 WeakPolarHBondContact O-CG 3.5Å; V346-L350 PolarHBondContact O-N 2.83Å; Q347-L350 PolarHBondContact O-N 3.45Å; K348-L350 VanDerWaalsContact C-N 3.34Å; K348-L350 PolarHBondContact O-N 2.89Å; L350-G354 PolarHBondContact O-N 2.88Å; L350-G354 VanDerWaalsContact O-N 3.09Å; L350-L355 HydrophobicContact CD2-CB 4.4Å; L350-L355 PolarHBondContact O-N 2.61Å; L350-K357 HydrophobicContact CD1-CG 4.03Å; L350-V360 HydrophobicContact CD2-CG2 3.67Å; L350-F382 HydrophobicContact CD1-CE1 3.7Å; L350-F382 HydrophobicContact CD1-CZ 4.09Å; L350-F383 HydrophobicContact CD1-CE1 4.4Å
351	E	96.6	Very high	96.5	Very high	122 Å²	122	54.2 Å²	54.2	57%	0.57	29%	0.288	S	S	*	.	H	α-helix	trans	-62.2	-47.7	175.8	-71.7	172.7	-173.3	0	0	111.7	Q347 K348 A353 G354	Q347-E351 HydrophobicContact CG-CG 4.46Å; Q347-E351 VanDerWaalsContact CG-OE1 3.28Å; Q347-E351 WeakPolarHBondContact CG-OE1 3.46Å; Q347-E351 PolarHBondContact NE2-OE1 3.41Å; Q347-E351 WeakPolarHBondContact O-CG 3.45Å; Q347-E351 PolarHBondContact O-N 3.19Å; K348-E351 PolarHBondContact O-N 3.05Å; E351-A353 VanDerWaalsContact C-N 3.33Å; E351-A353 PolarHBondContact O-N 3.32Å; E351-G354 PolarHBondContact O-N 2.9Å; E351-G354 VanDerWaalsContact O-N 3.11Å
352	D	93.6	Very high	96.4	Very high	56 Å²	56	54.9 Å²	54.9	30%	0.299	29%	0.287	S	S	.	.	H	α-helix	trans	-65.6	-34.6	-179.2	-77.4	-12.6	0	0	0	112.8	A250 K348 G354 R443 N444	A250-D352 HydrophobicContact CB-CB 3.74Å; K348-D352 WeakPolarHBondContact O-CB 3.32Å; K348-D352 PolarHBondContact O-N 3.29Å; D352-G354 VanDerWaalsContact C-N 3.31Å; D352-R443 IonicContact OD1-CZ 2.76Å; D352-R443 IonicContact OD1-NE 3.01Å; D352-R443 IonicContact OD1-NH2 2.76Å; D352-R443 PolarHBondContact OD1-NH2 3.41Å; D352-R443 IonicContact OD2-CZ 3.18Å; D352-R443 IonicContact OD2-NE 2.86Å; D352-R443 PolarHBondContact OD2-NE 3.38Å; D352-R443 IonicContact OD2-NH2 3.36Å; D352-R443 PolarHBondContact OD2-NH2 2.99Å; D352-N444 PolarHBondContact OD2-ND2 2.93Å
353	A	95.6	Very high	96.3	Very high	29 Å²	29	55 Å²	55	24%	0.24	29%	0.287	C	S	.	.	H	α-helix	trans	-81.2	-8.7	175.1	0	0	0	0	0	113.6	L238 L249 A250 V349 E351 L355	L238-A353 HydrophobicContact CD2-CB 3.58Å; L249-A353 HydrophobicContact CB-CB 3.85Å; L249-A353 HydrophobicContact CD1-CB 4.24Å; A250-A353 HydrophobicContact CB-CB 4.17Å; V349-A353 WeakPolarHBondContact O-CB 3.41Å; V349-A353 PolarHBondContact O-N 2.88Å; E351-A353 VanDerWaalsContact C-N 3.33Å; E351-A353 PolarHBondContact O-N 3.32Å; A353-L355 VanDerWaalsContact C-N 3.27Å; A353-L355 HydrophobicContact CB-CB 4.46Å; A353-L355 HydrophobicContact CB-CD1 4.29Å; A353-L355 HydrophobicContact CB-CG 4.21Å; A353-L355 PolarHBondContact O-N 3.15Å
354	G	96.5	Very high	96.2	Very high	64 Å²	64	53.8 Å²	53.8	66%	0.66	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	26.7	-174.7	0	0	0	0	0	114	L350 E351 D352	L350-G354 PolarHBondContact O-N 2.88Å; L350-G354 VanDerWaalsContact O-N 3.09Å; E351-G354 PolarHBondContact O-N 2.9Å; E351-G354 VanDerWaalsContact O-N 3.11Å; D352-G354 VanDerWaalsContact C-N 3.31Å
355	L	97	Very high	96.2	Very high	39 Å²	39	47.2 Å²	47.2	20%	0.204	25%	0.254	C	S	.	.			trans	-111.6	151.2	-176.6	-67.4	-179.3	0	0	0	112	N223 L238 L249 L350 A353 D359	N223-L355 HydrophobicContact CB-CD1 4.32Å; L238-L355 HydrophobicContact CD2-CB 4.23Å; L238-L355 HydrophobicContact CD2-CD1 3.65Å; L238-L355 HydrophobicContact CD2-CG 4.43Å; L238-L355 HydrophobicContact CG-CD1 4.43Å; L249-L355 HydrophobicContact CD1-CD1 3.63Å; L350-L355 HydrophobicContact CD2-CB 4.4Å; L350-L355 PolarHBondContact O-N 2.61Å; A353-L355 VanDerWaalsContact C-N 3.27Å; A353-L355 HydrophobicContact CB-CB 4.46Å; A353-L355 HydrophobicContact CB-CD1 4.29Å; A353-L355 HydrophobicContact CB-CG 4.21Å; A353-L355 PolarHBondContact O-N 3.15Å; L355-D359 HydrophobicContact CB-CB 4.29Å; L355-D359 HydrophobicContact CD2-CB 4.04Å
356	N	96.6	Very high	96.2	Very high	97 Å²	97	46.4 Å²	46.4	52%	0.519	25%	0.248	S	C	.	.			trans	-98.7	164.1	174	-53.8	-83.9	0	0	0	110.5	K358 D359	N356-K358 HydrophobicContact CB-CG 4.15Å; N356-K358 PolarHBondContact O-N 2.99Å; N356-K358 VanDerWaalsContact O-N 3.07Å; N356-D359 WeakPolarHBondContact CA-OD2 3.48Å; N356-D359 VanDerWaalsContact CB-OD2 3.27Å; N356-D359 WeakPolarHBondContact CB-OD2 3.42Å; N356-D359 PolarHBondContact N-OD2 2.8Å; N356-D359 PolarHBondContact ND2-OD2 3.28Å; N356-D359 VanDerWaalsContact ND2-OD2 3.09Å; N356-D359 WeakPolarHBondContact O-CB 3.43Å; N356-D359 PolarHBondContact O-N 2.8Å
357	K	97.3	Very high	96.1	Very high	79 Å²	79	46.8 Å²	46.8	34%	0.343	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-50.9	-36.4	177.3	-64.5	171.8	170.6	-163.3	0	114.2	L350 D359 F382 F383	L350-K357 HydrophobicContact CD1-CG 4.03Å; K357-D359 VanDerWaalsContact C-N 3.28Å; K357-D359 PolarHBondContact O-N 3.36Å; K357-F382 HydrophobicContact CD-CD1 4.5Å; K357-F382 HydrophobicContact CD-CE1 4.3Å; K357-F382 WeakPolarHBondContact CD-O 3.47Å; K357-F382 WeakPolarHBondContact CE-O 3.31Å; K357-F382 HydrophobicContact CG-CE1 4.07Å; K357-F382 PolarHBondContact NZ-O 3.29Å; K357-F383 HydrophobicContact CB-CD1 4.12Å; K357-F383 HydrophobicContact CB-CE1 4.45Å; K357-F383 HydrophobicContact CG-CD1 4.46Å
358	K	96.6	Very high	96	Very high	174 Å²	174	43.4 Å²	43.4	76%	0.757	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-71.1	-22.2	179.4	64.9	172.9	-174.5	174.7	0	113.5	N356 V360	N356-K358 HydrophobicContact CB-CG 4.15Å; N356-K358 PolarHBondContact O-N 2.99Å; N356-K358 VanDerWaalsContact O-N 3.07Å; K358-V360 VanDerWaalsContact C-N 3.28Å
359	D	97	Very high	96.1	Very high	53 Å²	53	41.5 Å²	41.5	28%	0.283	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-82.3	-12.6	-176.7	-53.3	-41.7	0	0	0	110.9	N223 L355 N356 K357 A361	N223-D359 WeakPolarHBondContact CB-O 3.47Å; N223-D359 PolarHBondContact ND2-O 2.78Å; L355-D359 HydrophobicContact CB-CB 4.29Å; L355-D359 HydrophobicContact CD2-CB 4.04Å; N356-D359 WeakPolarHBondContact CA-OD2 3.48Å; N356-D359 VanDerWaalsContact CB-OD2 3.27Å; N356-D359 WeakPolarHBondContact CB-OD2 3.42Å; N356-D359 PolarHBondContact N-OD2 2.8Å; N356-D359 PolarHBondContact ND2-OD2 3.28Å; N356-D359 VanDerWaalsContact ND2-OD2 3.09Å; N356-D359 WeakPolarHBondContact O-CB 3.43Å; N356-D359 PolarHBondContact O-N 2.8Å; K357-D359 VanDerWaalsContact C-N 3.28Å; K357-D359 PolarHBondContact O-N 3.36Å; D359-A361 PolarHBondContact O-N 3.31Å
360	V	96.8	Very high	96.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.238	C	C	.	.			trans	-80.1	112.7	172.7	-177.8	0	0	0	0	109.7	L225 L238 L350 K358 E362 V363 F383 K386	L225-V360 HydrophobicContact CB-CG1 3.79Å; L238-V360 HydrophobicContact CD1-CG2 3.9Å; L350-V360 HydrophobicContact CD2-CG2 3.67Å; K358-V360 VanDerWaalsContact C-N 3.28Å; V360-E362 VanDerWaalsContact CG1-O 3.25Å; V360-E362 WeakPolarHBondContact CG1-O 3.33Å; V360-V363 HydrophobicContact CG1-CG2 4.06Å; V360-F383 HydrophobicContact CB-CE1 4.04Å; V360-F383 HydrophobicContact CG1-CE1 4.27Å; V360-F383 HydrophobicContact CG2-CE1 3.88Å; V360-K386 WeakPolarHBondContact O-CE 3.18Å; V360-K386 PolarHBondContact O-NZ 2.9Å
361	A	94.6	Very high	96.1	Very high	33 Å²	33	46.4 Å²	46.4	27%	0.273	26%	0.256	S	S	.	.			trans	-76.4	-38	-178.6	0	0	0	0	0	112.4	K222 N223 D359 K386	K222-A361 HydrophobicContact CB-CB 3.96Å; K222-A361 HydrophobicContact CD-CB 4.24Å; K222-A361 HydrophobicContact CG-CB 4.11Å; N223-A361 WeakPolarHBondContact O-CB 3.37Å; N223-A361 PolarHBondContact O-N 2.63Å; D359-A361 PolarHBondContact O-N 3.31Å; A361-K386 VanDerWaalsContact C-CE 3.49Å; A361-K386 VanDerWaalsContact C-NZ 3.28Å; A361-K386 WeakPolarHBondContact O-CE 3.3Å; A361-K386 PolarHBondContact O-NZ 2.88Å
362	E	94.2	Very high	96.1	Very high	49 Å²	49	40.9 Å²	40.9	23%	0.229	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	143.6	-177.2	-67.6	-70.9	175.9	0	0	110.5	F213 N223 I224 L225 V360	F213-E362 HydrophobicContact CE1-CG 4.39Å; F213-E362 HydrophobicContact CZ-CB 4.22Å; F213-E362 HydrophobicContact CZ-CG 3.93Å; N223-E362 PolarHBondContact O-N 2.93Å; I224-E362 WeakPolarHBondContact CA-O 3.44Å; I224-E362 HydrophobicContact CD1-CB 4.37Å; I224-E362 HydrophobicContact CG1-CB 4.4Å; I224-E362 HydrophobicContact CG2-CB 4.22Å; L225-E362 PolarHBondContact N-O 3.43Å; V360-E362 VanDerWaalsContact CG1-O 3.25Å; V360-E362 WeakPolarHBondContact CG1-O 3.33Å
363	V	95.9	Very high	96.3	Very high	2 Å²	2	40 Å²	40	1%	0.012	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	113.5	171.8	177.4	0	0	0	0	107.7	L225 V360 L365 F383 K386 P388 S389	L225-V363 HydrophobicContact CD2-CG1 4.06Å; L225-V363 CarbonylContact O-C 3.58Å; L225-V363 WeakPolarHBondContact O-CA 3.38Å; V360-V363 HydrophobicContact CG1-CG2 4.06Å; V363-L365 HydrophobicContact CG1-CD2 4.41Å; V363-F383 HydrophobicContact CG2-CD1 4.41Å; V363-F383 HydrophobicContact CG2-CD2 3.78Å; V363-F383 HydrophobicContact CG2-CE1 4.43Å; V363-F383 HydrophobicContact CG2-CE2 3.81Å; V363-F383 HydrophobicContact CG2-CG 4.11Å; V363-F383 HydrophobicContact CG2-CZ 4.16Å; V363-K386 HydrophobicContact CG2-CD 4.48Å; V363-P388 HydrophobicContact CB-CB 4.5Å; V363-P388 HydrophobicContact CG1-CB 4.38Å; V363-P388 CarbonylContact O-C 3.47Å; V363-P388 WeakPolarHBondContact O-CA 3.31Å; V363-S389 PolarHBondContact O-N 2.93Å
364	V	95.6	Very high	96.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	123	-172.6	176.1	0	0	0	0	109.1	F213 I224 L225 V226 Y227 V366 I392	F213-V364 HydrophobicContact CB-CG1 4.48Å; F213-V364 HydrophobicContact CB-CG2 4.43Å; F213-V364 HydrophobicContact CD1-CG2 4.22Å; F213-V364 HydrophobicContact CD2-CG1 4.43Å; F213-V364 HydrophobicContact CD2-CG2 3.65Å; F213-V364 HydrophobicContact CE1-CG2 4.49Å; F213-V364 HydrophobicContact CE2-CG2 3.93Å; F213-V364 HydrophobicContact CG-CG2 3.8Å; F213-V364 HydrophobicContact CZ-CG2 4.33Å; I224-V364 HydrophobicContact CG2-CB 4.29Å; I224-V364 HydrophobicContact CG2-CG2 3.5Å; I224-V364 VanDerWaalsContact CG2-CG2 3.5Å; L225-V364 PolarHBondContact O-N 3.16Å; V226-V364 HydrophobicContact CG2-CB 4.38Å; Y227-V364 PolarHBondContact N-O 2.85Å; V364-V366 HydrophobicContact CG1-CG2 4.2Å; V364-I392 HydrophobicContact CG1-CD1 3.14Å; V364-I392 HydrophobicContact CG1-CG1 3.86Å
365	L	96.8	Very high	96.5	Very high	16 Å²	16	37.6 Å²	37.6	8%	0.084	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	128.9	-179.3	-57.8	-176.6	0	0	0	111	Y227 V363 T370 Q376 L379 P388	Y227-L365 HydrophobicContact CD1-CD2 4.26Å; Y227-L365 HydrophobicContact CG-CD2 4.49Å; V363-L365 HydrophobicContact CG1-CD2 4.41Å; L365-T370 HydrophobicContact CB-CG2 4.22Å; L365-Q376 HydrophobicContact CD1-CG 3.83Å; L365-L379 HydrophobicContact CD2-CD1 3.48Å; L365-L379 VanDerWaalsContact CD2-CD1 3.48Å; L365-P388 HydrophobicContact CD1-CB 3.61Å; L365-P388 HydrophobicContact CD1-CG 4.02Å; L365-P388 HydrophobicContact CD2-CB 3.96Å; L365-P388 HydrophobicContact CD2-CG 4.34Å; L365-P388 HydrophobicContact CG-CB 3.58Å; L365-P388 HydrophobicContact CG-CG 4.31Å
366	V	95.7	Very high	96.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	148.6	-178	-173.9	0	0	0	0	109.2	A209 V226 Y227 D228 L229 V364 T370 I392 V398	A209-V366 HydrophobicContact CB-CB 4.35Å; A209-V366 HydrophobicContact CB-CG1 4.03Å; A209-V366 HydrophobicContact CB-CG2 3.42Å; A209-V366 VanDerWaalsContact CB-CG2 3.42Å; V226-V366 HydrophobicContact CG1-CB 4.48Å; V226-V366 HydrophobicContact CG1-CG2 3.69Å; Y227-V366 PolarHBondContact O-N 2.83Å; D228-V366 WeakPolarHBondContact CA-O 3.31Å; D228-V366 HydrophobicContact CB-CB 4Å; D228-V366 HydrophobicContact CB-CG1 4.37Å; D228-V366 WeakPolarHBondContact OD2-CG1 3.46Å; L229-V366 PolarHBondContact N-O 3.13Å; V364-V366 HydrophobicContact CG1-CG2 4.2Å; V366-T370 WeakPolarHBondContact O-CG2 3.3Å; V366-I392 HydrophobicContact CG2-CD1 3.91Å; V366-V398 HydrophobicContact CG1-CG2 3.5Å; V366-V398 VanDerWaalsContact CG1-CG2 3.5Å
367	G	95.1	Very high	96.5	Very high	9 Å²	9	36.7 Å²	36.7	9%	0.093	19%	0.193	C	C	.	.	S	Bend	trans	85	137.8	-178.4	0	0	0	0	0	112.8	L229 S369 T370 P394	L229-G367 CarbonylContact O-C 3.48Å; L229-G367 WeakPolarHBondContact O-CA 3.19Å; G367-S369 PolarHBondContact O-N 2.9Å; G367-S369 VanDerWaalsContact O-N 3.07Å; G367-T370 WeakPolarHBondContact O-CB 3.35Å; G367-T370 PolarHBondContact O-N 2.9Å; G367-T370 PolarHBondContact O-OG1 3.36Å; G367-P394 PolarHBondContact N-O 3.04Å
368	G	94.7	Very high	96.5	Very high	29 Å²	29	33.4 Å²	33.4	30%	0.299	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-59.9	-24.1	-171.4	0	0	0	0	0	115.1	T370 R371 D395	G368-T370 VanDerWaalsContact C-N 3.26Å; G368-T370 PolarHBondContact O-N 3.4Å; G368-R371 WeakPolarHBondContact O-CB 3.46Å; G368-R371 VanDerWaalsContact O-CG 3.32Å; G368-R371 WeakPolarHBondContact O-CG 3.37Å; G368-R371 PolarHBondContact O-N 3Å; G368-D395 WeakPolarHBondContact CA-OD1 3.35Å
369	S	97.5	Very high	96.5	Very high	11 Å²	11	25.1 Å²	25.1	8%	0.077	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-75.4	-13.6	178.8	-59.2	0	0	0	0	113.1	L229 G230 G259 G367 R371 I372	L229-S369 VanDerWaalsContact O-CB 3.23Å; L229-S369 WeakPolarHBondContact O-CB 3.44Å; L229-S369 PolarHBondContact O-N 3.01Å; G230-S369 PolarHBondContact O-OG 2.82Å; G259-S369 VanDerWaalsContact CA-OG 3.27Å; G259-S369 WeakPolarHBondContact CA-OG 3.18Å; G259-S369 PolarHBondContact N-OG 3.12Å; G367-S369 PolarHBondContact O-N 2.9Å; G367-S369 VanDerWaalsContact O-N 3.07Å; S369-R371 PolarHBondContact O-N 3.36Å; S369-I372 WeakPolarHBondContact O-CB 3.44Å; S369-I372 WeakPolarHBondContact O-CD1 3.17Å; S369-I372 VanDerWaalsContact O-CG1 3.28Å; S369-I372 WeakPolarHBondContact O-CG1 3.23Å; S369-I372 PolarHBondContact O-N 3.42Å
370	T	97.3	Very high	96.5	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.012	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-69.7	-11.4	170.6	63.6	0	0	0	0	113.3	Y227 L229 L365 V366 G367 G368 I372 Q376	Y227-T370 HydrophobicContact CD1-CG2 3.78Å; Y227-T370 HydrophobicContact CE1-CG2 4.03Å; L229-T370 HydrophobicContact CB-CG2 3.87Å; L365-T370 HydrophobicContact CB-CG2 4.22Å; V366-T370 WeakPolarHBondContact O-CG2 3.3Å; G367-T370 WeakPolarHBondContact O-CB 3.35Å; G367-T370 PolarHBondContact O-N 2.9Å; G367-T370 PolarHBondContact O-OG1 3.36Å; G368-T370 VanDerWaalsContact C-N 3.26Å; G368-T370 PolarHBondContact O-N 3.4Å; T370-I372 PolarHBondContact O-N 3.01Å; T370-Q376 VanDerWaalsContact O-CG 3.27Å; T370-Q376 WeakPolarHBondContact O-CG 3.41Å; T370-Q376 PolarHBondContact O-NE2 3.29Å
371	R	96.6	Very high	96.5	Very high	111 Å²	111	33 Å²	33	42%	0.419	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-68.6	-14	172.4	-61.5	176.1	179.6	-80.2	4.2	112.7	G368 S369 P373 D395	G368-R371 WeakPolarHBondContact O-CB 3.46Å; G368-R371 VanDerWaalsContact O-CG 3.32Å; G368-R371 WeakPolarHBondContact O-CG 3.37Å; G368-R371 PolarHBondContact O-N 3Å; S369-R371 PolarHBondContact O-N 3.36Å; R371-P373 WeakPolarHBondContact O-CD 3.47Å; R371-D395 IonicContact CZ-OD2 2.85Å; R371-D395 IonicContact NE-OD2 3Å; R371-D395 PolarHBondContact NE-OD2 3.42Å; R371-D395 IonicContact NH2-OD2 3.75Å; R371-D395 PolarHBondContact NH2-OD2 2.89Å
372	I	97.9	Very high	96.6	Very high	5 Å²	5	32.8 Å²	32.8	3%	0.026	17%	0.17	C	C	.	.			trans	-65.7	120.8	178	-65.2	168.8	0	0	0	109.8	F262 F331 F339 S369 T370 K374 V375 Q376	F262-I372 HydrophobicContact CD2-CD1 3.68Å; F262-I372 HydrophobicContact CE2-CD1 3.81Å; F331-I372 HydrophobicContact CE1-CD1 4.29Å; F331-I372 HydrophobicContact CE1-CG1 4.44Å; F331-I372 HydrophobicContact CE1-CG2 4.03Å; F331-I372 HydrophobicContact CZ-CD1 4.04Å; F339-I372 HydrophobicContact CE1-CD1 4.1Å; F339-I372 HydrophobicContact CE1-CG2 4.49Å; F339-I372 HydrophobicContact CE2-CG2 4.39Å; F339-I372 HydrophobicContact CZ-CD1 4.27Å; F339-I372 HydrophobicContact CZ-CG2 4.03Å; S369-I372 WeakPolarHBondContact O-CB 3.44Å; S369-I372 WeakPolarHBondContact O-CD1 3.17Å; S369-I372 VanDerWaalsContact O-CG1 3.28Å; S369-I372 WeakPolarHBondContact O-CG1 3.23Å; S369-I372 PolarHBondContact O-N 3.42Å; T370-I372 PolarHBondContact O-N 3.01Å; I372-K374 HydrophobicContact CG2-CB 4.2Å; I372-K374 PolarHBondContact O-N 3.33Å; I372-K374 VanDerWaalsContact O-N 3.14Å; I372-V375 HydrophobicContact CB-CB 4.28Å; I372-V375 HydrophobicContact CB-CG2 3.92Å; I372-V375 HydrophobicContact CG2-CG2 4.01Å; I372-V375 WeakPolarHBondContact O-CB 3.2Å; I372-V375 PolarHBondContact O-N 3.26Å; I372-Q376 PolarHBondContact O-N 2.77Å
373	P	97.5	Very high	96.8	Very high	38 Å²	38	31 Å²	31	25%	0.247	16%	0.161	C	C	.	.	H	α-helix	trans	-57.2	-35	-177.2	-29.4	36.1	0	0	0	113.9	S304 R371 Q376 A377	S304-P373 VanDerWaalsContact O-CG 3.25Å; S304-P373 WeakPolarHBondContact O-CG 3.34Å; R371-P373 WeakPolarHBondContact O-CD 3.47Å; P373-Q376 PolarHBondContact O-N 2.86Å; P373-A377 WeakPolarHBondContact O-CB 3.48Å; P373-A377 PolarHBondContact O-N 2.81Å
374	K	98.2	Very high	96.8	Very high	43 Å²	43	37.3 Å²	37.3	19%	0.187	20%	0.195	C	C	.	.	H	α-helix	trans	-67	-36.1	178.9	-172.4	59.4	-177.3	-176.7	0	113.1	E332 M336 F339 I372 A377 L378	E332-K374 HydrophobicContact CG-CB 3.88Å; E332-K374 HydrophobicContact CG-CG 4.16Å; M336-K374 HydrophobicContact CE-CD 4.42Å; M336-K374 HydrophobicContact CE-CG 4.49Å; F339-K374 HydrophobicContact CD2-CB 4.12Å; F339-K374 HydrophobicContact CD2-CG 3.76Å; F339-K374 HydrophobicContact CE2-CB 4.19Å; F339-K374 HydrophobicContact CE2-CG 4.26Å; I372-K374 HydrophobicContact CG2-CB 4.2Å; I372-K374 PolarHBondContact O-N 3.33Å; I372-K374 VanDerWaalsContact O-N 3.14Å; K374-A377 PolarHBondContact O-N 3.06Å; K374-L378 HydrophobicContact CG-CD1 4.41Å; K374-L378 VanDerWaalsContact O-CG 3.31Å; K374-L378 WeakPolarHBondContact O-CG 3.49Å; K374-L378 PolarHBondContact O-N 3.11Å
375	V	97.3	Very high	96.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.1	-48.5	176	171.8	0	0	0	0	109.8	Y227 L229 F339 I372 A377 L378 L379	Y227-V375 HydrophobicContact CE1-CG1 3.64Å; Y227-V375 WeakPolarHBondContact OH-CG1 3.38Å; L229-V375 HydrophobicContact CD2-CG1 4.23Å; L229-V375 HydrophobicContact CD2-CG2 4.06Å; F339-V375 HydrophobicContact CD1-CG2 4.02Å; F339-V375 HydrophobicContact CE1-CG2 4.32Å; F339-V375 HydrophobicContact CG-CG2 4.47Å; I372-V375 HydrophobicContact CB-CB 4.28Å; I372-V375 HydrophobicContact CB-CG2 3.92Å; I372-V375 HydrophobicContact CG2-CG2 4.01Å; I372-V375 WeakPolarHBondContact O-CB 3.2Å; I372-V375 PolarHBondContact O-N 3.26Å; V375-A377 VanDerWaalsContact C-N 3.34Å; V375-A377 PolarHBondContact O-N 2.94Å; V375-L378 PolarHBondContact O-N 3.16Å; V375-L379 HydrophobicContact CG1-CD1 4.43Å; V375-L379 PolarHBondContact O-N 3.15Å
376	Q	97	Very high	96.9	Very high	70 Å²	70	41.8 Å²	41.8	33%	0.327	23%	0.225	S	C	.	.	H	α-helix	trans	-62.3	-40.7	176.7	-59.9	-175	8.6	0	0	112.2	L365 T370 I372 P373 L379 K380	L365-Q376 HydrophobicContact CD1-CG 3.83Å; T370-Q376 VanDerWaalsContact O-CG 3.27Å; T370-Q376 WeakPolarHBondContact O-CG 3.41Å; T370-Q376 PolarHBondContact O-NE2 3.29Å; I372-Q376 PolarHBondContact O-N 2.77Å; P373-Q376 PolarHBondContact O-N 2.86Å; Q376-L379 PolarHBondContact O-N 2.8Å; Q376-K380 WeakPolarHBondContact O-CB 3.41Å; Q376-K380 PolarHBondContact O-N 2.75Å
377	A	97.2	Very high	96.8	Very high	47 Å²	47	46.3 Å²	46.3	39%	0.388	25%	0.247	S	C	.	.	H	α-helix	trans	-63	-42.8	177.3	0	0	0	0	0	112.3	P373 K374 V375 K380 E381	P373-A377 WeakPolarHBondContact O-CB 3.48Å; P373-A377 PolarHBondContact O-N 2.81Å; K374-A377 PolarHBondContact O-N 3.06Å; V375-A377 VanDerWaalsContact C-N 3.34Å; V375-A377 PolarHBondContact O-N 2.94Å; A377-K380 PolarHBondContact O-N 2.89Å; A377-E381 WeakPolarHBondContact O-CB 3.19Å; A377-E381 PolarHBondContact O-N 2.98Å
378	L	97.6	Very high	96.7	Very high	9 Å²	9	46.5 Å²	46.5	5%	0.047	25%	0.246	C	C	.	.	H	α-helix	trans	-63.6	-42.3	176.2	-74.3	171	0	0	0	111.8	F339 M343 K374 V375 E381 F382	F339-L378 HydrophobicContact CB-CD1 3.74Å; M343-L378 HydrophobicContact SD-CB 4.33Å; K374-L378 HydrophobicContact CG-CD1 4.41Å; K374-L378 VanDerWaalsContact O-CG 3.31Å; K374-L378 WeakPolarHBondContact O-CG 3.49Å; K374-L378 PolarHBondContact O-N 3.11Å; V375-L378 PolarHBondContact O-N 3.16Å; L378-E381 PolarHBondContact O-N 2.83Å; L378-F382 VanDerWaalsContact O-CB 3.3Å; L378-F382 WeakPolarHBondContact O-CB 3.13Å; L378-F382 PolarHBondContact O-N 3.43Å
379	L	96.2	Very high	96.4	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-63.9	-46.3	175.3	-80.6	168.9	0	0	0	112.2	Y227 M343 V346 L365 V375 Q376 E381 F382 F383	Y227-L379 HydrophobicContact CD1-CD1 3.77Å; Y227-L379 HydrophobicContact CD2-CD1 3.77Å; Y227-L379 HydrophobicContact CD2-CD2 3.62Å; Y227-L379 HydrophobicContact CD2-CG 4.17Å; Y227-L379 HydrophobicContact CE1-CD1 3.94Å; Y227-L379 HydrophobicContact CE2-CD1 3.91Å; Y227-L379 HydrophobicContact CE2-CD2 3.8Å; Y227-L379 HydrophobicContact CE2-CG 4.09Å; Y227-L379 HydrophobicContact CG-CD1 3.67Å; Y227-L379 HydrophobicContact CG-CD2 4.28Å; M343-L379 HydrophobicContact CE-CD2 3.7Å; M343-L379 HydrophobicContact CE-CG 3.9Å; M343-L379 HydrophobicContact SD-CD2 4.29Å; V346-L379 HydrophobicContact CG2-CD2 4.26Å; L365-L379 HydrophobicContact CD2-CD1 3.48Å; L365-L379 VanDerWaalsContact CD2-CD1 3.48Å; V375-L379 HydrophobicContact CG1-CD1 4.43Å; V375-L379 PolarHBondContact O-N 3.15Å; Q376-L379 PolarHBondContact O-N 2.8Å; L379-E381 VanDerWaalsContact C-N 3.33Å; L379-E381 PolarHBondContact O-N 2.55Å; L379-F382 WeakPolarHBondContact O-CB 3.08Å; L379-F382 PolarHBondContact O-N 3.33Å; L379-F383 HydrophobicContact CD2-CE2 4.19Å; L379-F383 WeakPolarHBondContact O-CD2 3.22Å; L379-F383 PolarHBondContact O-N 2.9Å
380	K	97	Very high	95.6	Very high	78 Å²	78	56.1 Å²	56.1	34%	0.339	28%	0.275	S	S	.	.	H	α-helix	trans	-59.6	-44.6	176.7	179.9	176.7	176	178.3	0	111.4	Q376 A377 F383 N384 G385 E387	Q376-K380 WeakPolarHBondContact O-CB 3.41Å; Q376-K380 PolarHBondContact O-N 2.75Å; A377-K380 PolarHBondContact O-N 2.89Å; K380-F383 CarbonylContact O-C 3.53Å; K380-F383 PolarHBondContact O-N 3.22Å; K380-N384 PolarHBondContact O-N 2.82Å; K380-G385 WeakPolarHBondContact CE-O 3.23Å; K380-G385 WeakPolarHBondContact O-CA 3.35Å; K380-G385 PolarHBondContact O-N 2.95Å; K380-E387 WeakPolarHBondContact CE-OE1 3.16Å; K380-E387 IonicContact NZ-OE1 3.6Å; K380-E387 PolarHBondContact NZ-OE1 3.34Å
381	E	97.1	Very high	94.7	Very high	140 Å²	140	59.1 Å²	59.1	65%	0.654	31%	0.307	S	S	*	.	H	α-helix	trans	-60.9	-45.8	174.3	-175.5	-176.4	164	0	0	111.1	A377 L378 L379 F383 N384	A377-E381 WeakPolarHBondContact O-CB 3.19Å; A377-E381 PolarHBondContact O-N 2.98Å; L378-E381 PolarHBondContact O-N 2.83Å; L379-E381 VanDerWaalsContact C-N 3.33Å; L379-E381 PolarHBondContact O-N 2.55Å; E381-F383 VanDerWaalsContact C-N 3.32Å; E381-F383 PolarHBondContact O-N 2.86Å; E381-N384 PolarHBondContact O-N 2.8Å; E381-N384 VanDerWaalsContact O-N 3.14Å
382	F	97.3	Very high	94.4	Very high	29 Å²	29	55.2 Å²	55.2	13%	0.127	29%	0.294	C	S	.	.	H	α-helix	trans	-59	-42.8	179.2	-173.6	-87.8	0	0	0	111.7	M343 V346 Q347 L350 K357 L378 L379 N384	M343-F382 HydrophobicContact SD-CB 3.98Å; M343-F382 HydrophobicContact SD-CD2 4.18Å; M343-F382 HydrophobicContact SD-CG 4.2Å; V346-F382 HydrophobicContact CB-CE1 4.45Å; V346-F382 HydrophobicContact CB-CZ 4.49Å; V346-F382 HydrophobicContact CG1-CD1 3.86Å; V346-F382 HydrophobicContact CG1-CE1 3.46Å; V346-F382 VanDerWaalsContact CG1-CE1 3.46Å; V346-F382 HydrophobicContact CG1-CZ 3.93Å; Q347-F382 HydrophobicContact CB-CE2 4.46Å; Q347-F382 HydrophobicContact CB-CZ 4.25Å; L350-F382 HydrophobicContact CD1-CE1 3.7Å; L350-F382 HydrophobicContact CD1-CZ 4.09Å; K357-F382 HydrophobicContact CD-CD1 4.5Å; K357-F382 HydrophobicContact CD-CE1 4.3Å; K357-F382 WeakPolarHBondContact CD-O 3.47Å; K357-F382 WeakPolarHBondContact CE-O 3.31Å; K357-F382 HydrophobicContact CG-CE1 4.07Å; K357-F382 PolarHBondContact NZ-O 3.29Å; L378-F382 VanDerWaalsContact O-CB 3.3Å; L378-F382 WeakPolarHBondContact O-CB 3.13Å; L378-F382 PolarHBondContact O-N 3.43Å; L379-F382 WeakPolarHBondContact O-CB 3.08Å; L379-F382 PolarHBondContact O-N 3.33Å; F382-N384 VanDerWaalsContact C-N 3.31Å; F382-N384 PolarHBondContact O-N 3.43Å
383	F	97.5	Very high	94.1	Very high	10 Å²	10	57.9 Å²	57.9	4%	0.044	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	30.2	177.3	-70.2	-78.3	0	0	0	113.8	L225 V346 L350 K357 V360 V363 L379 K380 E381 G385 K386	L225-F383 HydrophobicContact CD1-CZ 3.98Å; L225-F383 HydrophobicContact CD2-CE2 4.25Å; L225-F383 HydrophobicContact CD2-CZ 4.23Å; V346-F383 HydrophobicContact CG1-CE2 3.96Å; V346-F383 HydrophobicContact CG1-CZ 3.87Å; L350-F383 HydrophobicContact CD1-CE1 4.4Å; K357-F383 HydrophobicContact CB-CD1 4.12Å; K357-F383 HydrophobicContact CB-CE1 4.45Å; K357-F383 HydrophobicContact CG-CD1 4.46Å; V360-F383 HydrophobicContact CB-CE1 4.04Å; V360-F383 HydrophobicContact CG1-CE1 4.27Å; V360-F383 HydrophobicContact CG2-CE1 3.88Å; V363-F383 HydrophobicContact CG2-CD1 4.41Å; V363-F383 HydrophobicContact CG2-CD2 3.78Å; V363-F383 HydrophobicContact CG2-CE1 4.43Å; V363-F383 HydrophobicContact CG2-CE2 3.81Å; V363-F383 HydrophobicContact CG2-CG 4.11Å; V363-F383 HydrophobicContact CG2-CZ 4.16Å; L379-F383 HydrophobicContact CD2-CE2 4.19Å; L379-F383 WeakPolarHBondContact O-CD2 3.22Å; L379-F383 PolarHBondContact O-N 2.9Å; K380-F383 CarbonylContact O-C 3.53Å; K380-F383 PolarHBondContact O-N 3.22Å; E381-F383 VanDerWaalsContact C-N 3.32Å; E381-F383 PolarHBondContact O-N 2.86Å; F383-G385 VanDerWaalsContact C-N 3.27Å; F383-G385 PolarHBondContact O-N 2.97Å; F383-K386 HydrophobicContact CB-CB 3.81Å; F383-K386 WeakPolarHBondContact O-CB 3.27Å; F383-K386 PolarHBondContact O-N 2.95Å; F383-K386 VanDerWaalsContact O-N 3.12Å
384	N	96.9	Very high	94	Very high	135 Å²	135	57 Å²	57	72%	0.722	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	35.9	169.5	-57.9	92.2	0	0	0	114.2	K380 E381 F382	K380-N384 PolarHBondContact O-N 2.82Å; E381-N384 PolarHBondContact O-N 2.8Å; E381-N384 VanDerWaalsContact O-N 3.14Å; F382-N384 VanDerWaalsContact C-N 3.31Å; F382-N384 PolarHBondContact O-N 3.43Å
385	G	96.3	Very high	93.8	Very high	40 Å²	40	57 Å²	57	41%	0.412	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.5	-2.7	178.1	0	0	0	0	0	115	K380 F383 E387	K380-G385 WeakPolarHBondContact CE-O 3.23Å; K380-G385 WeakPolarHBondContact O-CA 3.35Å; K380-G385 PolarHBondContact O-N 2.95Å; F383-G385 VanDerWaalsContact C-N 3.27Å; F383-G385 PolarHBondContact O-N 2.97Å; G385-E387 PolarHBondContact O-N 2.86Å
386	K	96.2	Very high	93.8	Very high	70 Å²	70	58.5 Å²	58.5	30%	0.304	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-61.7	126.3	176.2	-167.1	179.6	-168.3	115.4	0	110.9	V360 A361 V363 F383	V360-K386 WeakPolarHBondContact O-CE 3.18Å; V360-K386 PolarHBondContact O-NZ 2.9Å; A361-K386 VanDerWaalsContact C-CE 3.49Å; A361-K386 VanDerWaalsContact C-NZ 3.28Å; A361-K386 WeakPolarHBondContact O-CE 3.3Å; A361-K386 PolarHBondContact O-NZ 2.88Å; V363-K386 HydrophobicContact CG2-CD 4.48Å; F383-K386 HydrophobicContact CB-CB 3.81Å; F383-K386 WeakPolarHBondContact O-CB 3.27Å; F383-K386 PolarHBondContact O-N 2.95Å; F383-K386 VanDerWaalsContact O-N 3.12Å
387	E	94.8	Very high	93.7	Very high	96 Å²	96	55.4 Å²	55.4	45%	0.449	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-75.9	134.1	175.9	-67.8	-67.4	167.4	0	0	110.3	K380 G385	K380-E387 WeakPolarHBondContact CE-OE1 3.16Å; K380-E387 IonicContact NZ-OE1 3.6Å; K380-E387 PolarHBondContact NZ-OE1 3.34Å; G385-E387 PolarHBondContact O-N 2.86Å
388	P	92.4	Very high	93.7	Very high	12 Å²	12	53.4 Å²	53.4	8%	0.078	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-62.4	148.3	168.1	-18.5	30.9	0	0	0	111.6	V363 L365	V363-P388 HydrophobicContact CB-CB 4.5Å; V363-P388 HydrophobicContact CG1-CB 4.38Å; V363-P388 CarbonylContact O-C 3.47Å; V363-P388 WeakPolarHBondContact O-CA 3.31Å; L365-P388 HydrophobicContact CD1-CB 3.61Å; L365-P388 HydrophobicContact CD1-CG 4.02Å; L365-P388 HydrophobicContact CD2-CB 3.96Å; L365-P388 HydrophobicContact CD2-CG 4.34Å; L365-P388 HydrophobicContact CG-CB 3.58Å; L365-P388 HydrophobicContact CG-CG 4.31Å
389	S	89.5	Confident	93.7	Very high	26 Å²	26	53 Å²	53	18%	0.182	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-66.3	141.6	179.4	-162.5	0	0	0	0	111.4	F213 V363	F213-S389 WeakPolarHBondContact CE2-OG 3.1Å; V363-S389 PolarHBondContact O-N 2.93Å
390	R	79.6	Confident	93.8	Very high	216 Å²	216	55.8 Å²	55.8	82%	0.815	29%	0.29	S	S	*	.			trans	-109.3	6.8	178.5	-59.6	-177.4	-179.1	-178.8	0.1	112.9	I392	R390-I392 VanDerWaalsContact C-N 3.26Å; R390-I392 PolarHBondContact O-N 3.35Å
391	G	79.9	Confident	93.7	Very high	66 Å²	66	52.1 Å²	52.1	68%	0.68	27%	0.274	S	S	*	.	S	Bend	trans	-75.7	-7.6	-170.4	0	0	0	0	0	115.4
392	I	88.5	Confident	93.7	Very high	28 Å²	28	45.4 Å²	45.4	14%	0.144	24%	0.243	C	C	.	.	S	Bend	trans	-128.2	149.5	-178.3	60.3	156	0	0	0	111.1	F213 V364 V366 R390 A397	F213-I392 HydrophobicContact CB-CG2 3.99Å; F213-I392 HydrophobicContact CD2-CG2 4.05Å; V364-I392 HydrophobicContact CG1-CD1 3.14Å; V364-I392 HydrophobicContact CG1-CG1 3.86Å; V366-I392 HydrophobicContact CG2-CD1 3.91Å; R390-I392 VanDerWaalsContact C-N 3.26Å; R390-I392 PolarHBondContact O-N 3.35Å; I392-A397 HydrophobicContact CB-CB 4.23Å; I392-A397 HydrophobicContact CD1-CB 3.67Å; I392-A397 HydrophobicContact CG1-CB 4.49Å
393	N	93.5	Very high	93.7	Very high	61 Å²	61	44 Å²	44	33%	0.326	24%	0.237	S	C	.	.			trans	-80.6	117.7	171.7	-176.9	-10.4	0	0	0	109.2	D395 E396 A397	N393-D395 PolarHBondContact O-N 3.45Å; N393-D395 VanDerWaalsContact O-N 3.13Å; N393-D395 PolarHBondContact OD1-N 3.43Å; N393-E396 HydrophobicContact CB-CB 4.15Å; N393-E396 HydrophobicContact CB-CG 4.48Å; N393-E396 WeakPolarHBondContact ND2-CG 3.26Å; N393-E396 PolarHBondContact ND2-OE1 3.02Å; N393-E396 PolarHBondContact ND2-OE2 2.99Å; N393-E396 PolarHBondContact O-N 3.29Å; N393-E396 VanDerWaalsContact O-N 3.15Å; N393-A397 WeakPolarHBondContact O-CB 3.39Å; N393-A397 PolarHBondContact O-N 3.16Å
394	P	94	Very high	93.6	Very high	21 Å²	21	43.6 Å²	43.6	14%	0.136	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-20.4	-174.3	26.9	-36.6	0	0	0	113.9	G367	G367-P394 PolarHBondContact N-O 3.04Å
395	D	94.1	Very high	93.5	Very high	42 Å²	42	37.7 Å²	37.7	23%	0.225	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-13.6	-179.6	-56.5	-51.5	0	0	0	113	I66 G368 R371 N393	I66-D395 HydrophobicContact CG2-CB 4.45Å; G368-D395 WeakPolarHBondContact CA-OD1 3.35Å; R371-D395 IonicContact CZ-OD2 2.85Å; R371-D395 IonicContact NE-OD2 3Å; R371-D395 PolarHBondContact NE-OD2 3.42Å; R371-D395 IonicContact NH2-OD2 3.75Å; R371-D395 PolarHBondContact NH2-OD2 2.89Å; N393-D395 PolarHBondContact O-N 3.45Å; N393-D395 VanDerWaalsContact O-N 3.13Å; N393-D395 PolarHBondContact OD1-N 3.43Å
396	E	96.4	Very high	93.4	Very high	32 Å²	32	35.8 Å²	35.8	15%	0.15	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-19.5	-174.1	-63	173.6	174.3	0	0	112.9	I57 R65 N393 V398 A399 Y400	I57-E396 HydrophobicContact CG1-CB 4.29Å; I57-E396 HydrophobicContact CG2-CG 4.26Å; R65-E396 WeakPolarHBondContact CD-OE1 3.26Å; R65-E396 IonicContact NH1-OE1 3.98Å; R65-E396 PolarHBondContact NH1-OE1 3.26Å; R65-E396 IonicContact NH1-OE2 3.72Å; N393-E396 HydrophobicContact CB-CB 4.15Å; N393-E396 HydrophobicContact CB-CG 4.48Å; N393-E396 WeakPolarHBondContact ND2-CG 3.26Å; N393-E396 PolarHBondContact ND2-OE1 3.02Å; N393-E396 PolarHBondContact ND2-OE2 2.99Å; N393-E396 PolarHBondContact O-N 3.29Å; N393-E396 VanDerWaalsContact O-N 3.15Å; E396-V398 VanDerWaalsContact C-N 3.29Å; E396-V398 PolarHBondContact O-N 3.34Å; E396-A399 PolarHBondContact O-N 3.43Å; E396-Y400 WeakPolarHBondContact O-CB 3.33Å; E396-Y400 PolarHBondContact O-N 2.81Å
397	A	95.9	Very high	93.3	Very high	4 Å²	4	32.5 Å²	32.5	3%	0.033	17%	0.169	C	C	.	.	H	α-helix	trans	-59.5	-35.7	-172.3	0	0	0	0	0	114	A209 A212 I392 N393 Y400 G401	A209-A397 HydrophobicContact CB-CB 4.29Å; A212-A397 HydrophobicContact CB-CB 4.25Å; A212-A397 VanDerWaalsContact CB-O 3.25Å; A212-A397 WeakPolarHBondContact CB-O 3.45Å; I392-A397 HydrophobicContact CB-CB 4.23Å; I392-A397 HydrophobicContact CD1-CB 3.67Å; I392-A397 HydrophobicContact CG1-CB 4.49Å; N393-A397 WeakPolarHBondContact O-CB 3.39Å; N393-A397 PolarHBondContact O-N 3.16Å; A397-Y400 WeakPolarHBondContact O-CB 3.48Å; A397-Y400 PolarHBondContact O-N 2.9Å; A397-G401 PolarHBondContact O-N 2.99Å
398	V	97.5	Very high	93.1	Very high	5 Å²	5	30 Å²	30	3%	0.03	16%	0.16	C	C	.	.	H	α-helix	trans	-67.1	-51.7	178.5	175.6	0	0	0	0	110.6	D39 T175 E205 A208 A209 V366 E396 Y400 G401 A402	D39-V398 HydrophobicContact CB-CB 4.22Å; D39-V398 HydrophobicContact CB-CG1 3.81Å; D39-V398 VanDerWaalsContact CG-CG1 3.45Å; T175-V398 HydrophobicContact CG2-CG1 3.49Å; T175-V398 VanDerWaalsContact CG2-CG1 3.49Å; E205-V398 HydrophobicContact CB-CG1 4.2Å; E205-V398 HydrophobicContact CB-CG2 4.38Å; E205-V398 HydrophobicContact CG-CG1 3.88Å; A208-V398 HydrophobicContact CB-CG1 4.4Å; A208-V398 WeakPolarHBondContact CB-O 3.43Å; A209-V398 HydrophobicContact CB-CG2 4.35Å; V366-V398 HydrophobicContact CG1-CG2 3.5Å; V366-V398 VanDerWaalsContact CG1-CG2 3.5Å; E396-V398 VanDerWaalsContact C-N 3.29Å; E396-V398 PolarHBondContact O-N 3.34Å; V398-Y400 PolarHBondContact O-N 2.97Å; V398-G401 PolarHBondContact O-N 3.18Å; V398-A402 WeakPolarHBondContact O-CB 3.49Å; V398-A402 PolarHBondContact O-N 3.35Å
399	A	98.1	Very high	92.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62	-34.9	175.4	0	0	0	0	0	111.9	D39 C46 I57 E396 A402 A403	D39-A399 HydrophobicContact CB-CB 3.82Å; C46-A399 HydrophobicContact CB-CB 3.7Å; C46-A399 WeakPolarHBondContact SG-CB 3.49Å; I57-A399 HydrophobicContact CD1-CB 4.18Å; E396-A399 PolarHBondContact O-N 3.43Å; A399-A402 PolarHBondContact O-N 2.8Å; A399-A403 WeakPolarHBondContact O-CB 3.38Å; A399-A403 PolarHBondContact O-N 2.97Å
400	Y	96.9	Very high	92.8	Very high	61 Å²	61	30.7 Å²	30.7	24%	0.239	16%	0.162	C	C	.	.	H	α-helix	trans	-60.1	-53.2	175.7	-170.1	-69.4	0	0	0	111.1	V55 A212 M215 E396 A397 V398 A402 A403 V404	V55-Y400 HydrophobicContact CB-CD1 4.27Å; V55-Y400 HydrophobicContact CB-CD2 3.76Å; V55-Y400 HydrophobicContact CB-CE1 4.03Å; V55-Y400 HydrophobicContact CB-CE2 3.52Å; V55-Y400 HydrophobicContact CB-CG 4.13Å; V55-Y400 HydrophobicContact CG1-CD1 4.44Å; V55-Y400 HydrophobicContact CG1-CD2 3.68Å; V55-Y400 HydrophobicContact CG1-CE2 3.99Å; V55-Y400 HydrophobicContact CG1-CG 3.92Å; V55-Y400 HydrophobicContact CG2-CD1 3.88Å; V55-Y400 HydrophobicContact CG2-CD2 4.3Å; V55-Y400 HydrophobicContact CG2-CE1 3.59Å; V55-Y400 HydrophobicContact CG2-CE2 4.07Å; V55-Y400 HydrophobicContact CG2-CG 4.21Å; A212-Y400 HydrophobicContact CB-CD1 3.54Å; A212-Y400 HydrophobicContact CB-CE1 4.39Å; A212-Y400 HydrophobicContact CB-CG 3.98Å; M215-Y400 HydrophobicContact CE-CE1 3.89Å; M215-Y400 VanDerWaalsContact CE-OH 3.24Å; M215-Y400 WeakPolarHBondContact CE-OH 3.4Å; E396-Y400 WeakPolarHBondContact O-CB 3.33Å; E396-Y400 PolarHBondContact O-N 2.81Å; A397-Y400 WeakPolarHBondContact O-CB 3.48Å; A397-Y400 PolarHBondContact O-N 2.9Å; V398-Y400 PolarHBondContact O-N 2.97Å; Y400-A402 VanDerWaalsContact C-N 3.33Å; Y400-A402 PolarHBondContact O-N 2.85Å; Y400-A403 WeakPolarHBondContact O-CB 3.42Å; Y400-A403 PolarHBondContact O-N 2.7Å; Y400-A403 VanDerWaalsContact O-N 3.13Å; Y400-V404 HydrophobicContact CD1-CG2 3.95Å; Y400-V404 HydrophobicContact CE1-CG2 3.78Å; Y400-V404 WeakPolarHBondContact O-CG2 3.42Å; Y400-V404 PolarHBondContact O-N 3.28Å
401	G	96	Very high	93	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.3	-38.3	178.3	0	0	0	0	0	113.5	A208 A397 V398 A403 V404 Q405	A208-G401 VanDerWaalsContact O-CA 3.23Å; A208-G401 WeakPolarHBondContact O-CA 3.48Å; A397-G401 PolarHBondContact O-N 2.99Å; V398-G401 PolarHBondContact O-N 3.18Å; G401-A403 VanDerWaalsContact C-N 3.28Å; G401-A403 PolarHBondContact O-N 2.8Å; G401-V404 PolarHBondContact O-N 3.16Å; G401-Q405 PolarHBondContact O-N 2.92Å
402	A	97.4	Very high	93	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61.7	-38.1	173.5	0	0	0	0	0	111.6	V173 T175 I203 V398 A399 Y400 Q405 A406	V173-A402 HydrophobicContact CG1-CB 4.26Å; T175-A402 HydrophobicContact CG2-CB 3.79Å; I203-A402 HydrophobicContact CG2-CB 4.22Å; V398-A402 WeakPolarHBondContact O-CB 3.49Å; V398-A402 PolarHBondContact O-N 3.35Å; A399-A402 PolarHBondContact O-N 2.8Å; Y400-A402 VanDerWaalsContact C-N 3.33Å; Y400-A402 PolarHBondContact O-N 2.85Å; A402-Q405 PolarHBondContact O-N 3.27Å; A402-A406 WeakPolarHBondContact O-CB 3.39Å; A402-A406 PolarHBondContact O-N 2.85Å
403	A	97.1	Very high	92.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-69.2	-38.3	176.2	0	0	0	0	0	112.3	F50 V55 A399 Y400 G401 A406 G407	F50-A403 WeakPolarHBondContact CB-O 3.42Å; V55-A403 HydrophobicContact CG1-CB 3.8Å; V55-A403 HydrophobicContact CG2-CB 4.26Å; A399-A403 WeakPolarHBondContact O-CB 3.38Å; A399-A403 PolarHBondContact O-N 2.97Å; Y400-A403 WeakPolarHBondContact O-CB 3.42Å; Y400-A403 PolarHBondContact O-N 2.7Å; Y400-A403 VanDerWaalsContact O-N 3.13Å; G401-A403 VanDerWaalsContact C-N 3.28Å; G401-A403 PolarHBondContact O-N 2.8Å; A403-A406 WeakPolarHBondContact O-CB 3.25Å; A403-A406 PolarHBondContact O-N 2.92Å; A403-G407 PolarHBondContact O-N 3.19Å
404	V	94.8	Very high	91.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.1	-48.6	171	177	0	0	0	0	110.3	F50 V55 I211 M215 Y400 G401 A406 G407 V408 L418	F50-V404 HydrophobicContact CD2-CG2 4.47Å; V55-V404 HydrophobicContact CG2-CG2 3.53Å; I211-V404 HydrophobicContact CG2-CB 3.71Å; I211-V404 HydrophobicContact CG2-CG1 3.62Å; I211-V404 HydrophobicContact CG2-CG2 4.17Å; M215-V404 HydrophobicContact CE-CG2 4.43Å; M215-V404 HydrophobicContact SD-CB 4.46Å; M215-V404 HydrophobicContact SD-CG1 3.92Å; M215-V404 HydrophobicContact SD-CG2 3.61Å; Y400-V404 HydrophobicContact CD1-CG2 3.95Å; Y400-V404 HydrophobicContact CE1-CG2 3.78Å; Y400-V404 WeakPolarHBondContact O-CG2 3.42Å; Y400-V404 PolarHBondContact O-N 3.28Å; G401-V404 PolarHBondContact O-N 3.16Å; V404-A406 VanDerWaalsContact C-N 3.27Å; V404-A406 PolarHBondContact O-N 3.38Å; V404-G407 WeakPolarHBondContact O-CA 3.46Å; V404-G407 PolarHBondContact O-N 3.19Å; V404-V408 WeakPolarHBondContact O-CG2 3.28Å; V404-V408 PolarHBondContact O-N 3.29Å; V404-L418 HydrophobicContact CG1-CD1 4.45Å
405	Q	93.8	Very high	90.7	Very high	11 Å²	11	26.3 Å²	26.3	5%	0.051	14%	0.139	C	C	.	.	H	α-helix	trans	-60.3	-38.3	177.3	-174.8	63.4	28.7	0	0	112	V173 I203 G401 A402 V408 I409	V173-Q405 HydrophobicContact CG1-CB 4.43Å; V173-Q405 HydrophobicContact CG1-CG 4.32Å; V173-Q405 HydrophobicContact CG2-CG 4.41Å; I203-Q405 HydrophobicContact CD1-CB 4.06Å; I203-Q405 HydrophobicContact CD1-CG 4.13Å; G401-Q405 PolarHBondContact O-N 2.92Å; A402-Q405 PolarHBondContact O-N 3.27Å; Q405-V408 PolarHBondContact O-N 2.77Å; Q405-I409 HydrophobicContact CG-CD1 4.06Å; Q405-I409 VanDerWaalsContact O-CG1 3.31Å; Q405-I409 WeakPolarHBondContact O-CG1 3.42Å; Q405-I409 PolarHBondContact O-N 2.76Å
406	A	95.2	Very high	89.9	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.5	-42.2	173.3	0	0	0	0	0	111.7	V35 V173 A402 A403 V404 I409 S410	V35-A406 HydrophobicContact CB-CB 3.95Å; V35-A406 HydrophobicContact CG1-CB 3.67Å; V35-A406 WeakPolarHBondContact O-CB 3.33Å; V173-A406 HydrophobicContact CB-CB 4.35Å; V173-A406 HydrophobicContact CG2-CB 3.83Å; A402-A406 WeakPolarHBondContact O-CB 3.39Å; A402-A406 PolarHBondContact O-N 2.85Å; A403-A406 WeakPolarHBondContact O-CB 3.25Å; A403-A406 PolarHBondContact O-N 2.92Å; V404-A406 VanDerWaalsContact C-N 3.27Å; V404-A406 PolarHBondContact O-N 3.38Å; A406-I409 PolarHBondContact O-N 3.37Å; A406-S410 WeakPolarHBondContact O-CB 3.34Å; A406-S410 PolarHBondContact O-N 2.8Å; A406-S410 PolarHBondContact O-OG 3.25Å
407	G	93	Very high	89.1	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-56.1	-49.9	172.3	0	0	0	0	0	112.4	A403 V404 I409 S410 G411 D412	A403-G407 PolarHBondContact O-N 3.19Å; V404-G407 WeakPolarHBondContact O-CA 3.46Å; V404-G407 PolarHBondContact O-N 3.19Å; G407-I409 PolarHBondContact O-N 2.89Å; G407-S410 WeakPolarHBondContact CA-OG 3.34Å; G407-S410 PolarHBondContact O-N 2.96Å; G407-S410 VanDerWaalsContact O-N 3.17Å; G407-S410 PolarHBondContact O-OG 3.48Å; G407-G411 PolarHBondContact O-N 2.78Å; G407-D412 PolarHBondContact O-N 3.3Å
408	V	90.7	Very high	88.6	Confident	43 Å²	43	33.2 Å²	33.2	26%	0.261	19%	0.187	S	C	.	.	H	α-helix	trans	-59.1	-46.9	178.5	174.5	0	0	0	0	110.8	V404 Q405 S410 G411 T415 L418	V404-V408 WeakPolarHBondContact O-CG2 3.28Å; V404-V408 PolarHBondContact O-N 3.29Å; Q405-V408 PolarHBondContact O-N 2.77Å; V408-S410 VanDerWaalsContact C-N 3.31Å; V408-S410 PolarHBondContact O-N 2.79Å; V408-G411 PolarHBondContact O-N 3.2Å; V408-G411 VanDerWaalsContact O-N 3.16Å; V408-T415 HydrophobicContact CG2-CG2 4.02Å; V408-T415 WeakPolarHBondContact CG2-OG1 3.33Å; V408-L418 HydrophobicContact CG2-CB 3.97Å; V408-L418 HydrophobicContact CG2-CD2 3.99Å
409	I	89.9	Confident	88.2	Confident	38 Å²	38	36.4 Å²	36.4	20%	0.195	21%	0.207	C	C	.	.	H	α-helix	trans	-66.9	-32.7	179.7	-67.7	168.4	0	0	0	111.8	Y32 V173 L200 R201 Q405 A406 G407 G411	Y32-I409 HydrophobicContact CE2-CG2 4.43Å; V173-I409 HydrophobicContact CG2-CD1 3.91Å; L200-I409 HydrophobicContact CB-CG2 4.19Å; L200-I409 HydrophobicContact CD1-CG2 3.66Å; R201-I409 HydrophobicContact CB-CD1 3.66Å; R201-I409 HydrophobicContact CG-CD1 4.36Å; Q405-I409 HydrophobicContact CG-CD1 4.06Å; Q405-I409 VanDerWaalsContact O-CG1 3.31Å; Q405-I409 WeakPolarHBondContact O-CG1 3.42Å; Q405-I409 PolarHBondContact O-N 2.76Å; A406-I409 PolarHBondContact O-N 3.37Å; G407-I409 PolarHBondContact O-N 2.89Å; I409-G411 PolarHBondContact O-N 3.31Å
410	S	87.2	Confident	87.8	Confident	15 Å²	15	38.2 Å²	38.2	11%	0.105	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-5.2	176.4	75.2	0	0	0	0	114.2	A406 G407 V408	A406-S410 WeakPolarHBondContact O-CB 3.34Å; A406-S410 PolarHBondContact O-N 2.8Å; A406-S410 PolarHBondContact O-OG 3.25Å; G407-S410 WeakPolarHBondContact CA-OG 3.34Å; G407-S410 PolarHBondContact O-N 2.96Å; G407-S410 VanDerWaalsContact O-N 3.17Å; G407-S410 PolarHBondContact O-OG 3.48Å; V408-S410 VanDerWaalsContact C-N 3.31Å; V408-S410 PolarHBondContact O-N 2.79Å
411	G	83.1	Confident	87.6	Confident	30 Å²	30	38.1 Å²	38.1	31%	0.309	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	25.7	-178.6	0	0	0	0	0	113.7	G407 V408 I409 K413	G407-G411 PolarHBondContact O-N 2.78Å; V408-G411 PolarHBondContact O-N 3.2Å; V408-G411 VanDerWaalsContact O-N 3.16Å; I409-G411 PolarHBondContact O-N 3.31Å; G411-K413 PolarHBondContact O-N 3.44Å
412	D	79.1	Confident	87.4	Confident	11 Å²	11	39 Å²	39	6%	0.059	22%	0.224	C	C	.	.			trans	-72.8	116.4	175.1	-156.1	-45	0	0	0	110.5	K29 F50 G407 D414 T415	K29-D412 WeakPolarHBondContact CE-OD2 3.4Å; K29-D412 IonicContact NZ-OD1 3.99Å; K29-D412 IonicContact NZ-OD2 3.05Å; K29-D412 PolarHBondContact NZ-OD2 3.33Å; F50-D412 HydrophobicContact CD1-CB 4.08Å; F50-D412 HydrophobicContact CE1-CB 4.23Å; G407-D412 PolarHBondContact O-N 3.3Å; D412-D414 PolarHBondContact O-N 3.14Å; D412-D414 PolarHBondContact OD1-N 2.74Å; D412-T415 HydrophobicContact CB-CG2 4.33Å; D412-T415 PolarHBondContact O-N 3.43Å; D412-T415 PolarHBondContact O-OG1 3.05Å
413	K	72.5	Confident	87	Confident	136 Å²	136	39.2 Å²	39.2	59%	0.591	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-67.5	-21.4	-174.4	-62.9	-172.1	179.6	-169.6	0	113.2	E25 G411 T415	E25-K413 IonicContact OE1-NZ 2.94Å; E25-K413 PolarHBondContact OE1-NZ 3.37Å; G411-K413 PolarHBondContact O-N 3.44Å; K413-T415 PolarHBondContact O-N 3.05Å
414	D	79.6	Confident	86.6	Confident	106 Å²	106	39.5 Å²	39.5	57%	0.567	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-79.7	-3.3	-176	-63.7	-30.1	0	0	0	113.1	F50 D412 G416	F50-D414 HydrophobicContact CE1-CB 4.08Å; F50-D414 HydrophobicContact CZ-CB 4.23Å; D412-D414 PolarHBondContact O-N 3.14Å; D412-D414 PolarHBondContact OD1-N 2.74Å; D414-G416 PolarHBondContact O-N 2.88Å
415	T	77	Confident	85.9	Confident	17 Å²	17	40.2 Å²	40.2	10%	0.104	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-73	-14.5	175.4	59.1	0	0	0	0	113.5	F50 V408 D412 K413	F50-T415 HydrophobicContact CD1-CG2 3.84Å; F50-T415 HydrophobicContact CD2-CG2 4.14Å; F50-T415 HydrophobicContact CE1-CG2 3.58Å; F50-T415 HydrophobicContact CE2-CG2 3.91Å; F50-T415 HydrophobicContact CG-CG2 4.11Å; F50-T415 HydrophobicContact CZ-CG2 3.62Å; V408-T415 HydrophobicContact CG2-CG2 4.02Å; V408-T415 WeakPolarHBondContact CG2-OG1 3.33Å; D412-T415 HydrophobicContact CB-CG2 4.33Å; D412-T415 PolarHBondContact O-N 3.43Å; D412-T415 PolarHBondContact O-OG1 3.05Å; K413-T415 PolarHBondContact O-N 3.05Å
416	G	76.3	Confident	85.4	Confident	45 Å²	45	40.7 Å²	40.7	46%	0.464	23%	0.234	S	C	.	.			trans	70.7	-177.4	-170.3	0	0	0	0	0	113.4	D414 L418	D414-G416 PolarHBondContact O-N 2.88Å; G416-L418 VanDerWaalsContact C-N 3.33Å; G416-L418 PolarHBondContact O-N 3.43Å
417	D	79.5	Confident	85.2	Confident	155 Å²	155	40.8 Å²	40.8	83%	0.829	24%	0.235	S	C	*	.	S	Bend	trans	-78.6	79.2	179.1	-66.6	-30.5	0	0	0	110.3
418	L	86.1	Confident	85.1	Confident	23 Å²	23	41.3 Å²	41.3	12%	0.12	24%	0.237	C	C	.	.			trans	-88.6	119.1	174.6	-169.1	106.1	0	0	0	110.5	I211 G244 F246 V404 V408 G416	I211-L418 HydrophobicContact CD1-CD2 4.14Å; I211-L418 HydrophobicContact CG1-CD1 4.35Å; I211-L418 HydrophobicContact CG2-CD1 3.92Å; G244-L418 WeakPolarHBondContact O-CA 3.42Å; F246-L418 HydrophobicContact CD2-CD1 3.9Å; F246-L418 HydrophobicContact CD2-CG 4.31Å; F246-L418 HydrophobicContact CE2-CD1 3.35Å; F246-L418 HydrophobicContact CE2-CG 4.19Å; F246-L418 HydrophobicContact CZ-CD1 4.05Å; V404-L418 HydrophobicContact CG1-CD1 4.45Å; V408-L418 HydrophobicContact CG2-CB 3.97Å; V408-L418 HydrophobicContact CG2-CD2 3.99Å; G416-L418 VanDerWaalsContact C-N 3.33Å; G416-L418 PolarHBondContact O-N 3.43Å
419	V	88.4	Confident	85.2	Confident	72 Å²	72	39.2 Å²	39.2	44%	0.436	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	124.8	172.4	-179.2	0	0	0	0	109	G244 V245 F246	G244-V419 PolarHBondContact O-N 3.37Å; V245-V419 CarbonylContact C-O 3.52Å; V245-V419 WeakPolarHBondContact CA-O 3.37Å; V245-V419 HydrophobicContact CG2-CB 4.29Å; F246-V419 PolarHBondContact N-O 2.9Å
420	L	90.2	Very high	85.3	Confident	38 Å²	38	37.8 Å²	37.8	20%	0.199	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	125.3	179	176.4	63	0	0	0	111.1	I203 T207 F246	I203-L420 HydrophobicContact CD1-CD2 4.3Å; T207-L420 HydrophobicContact CG2-CD1 3.2Å; T207-L420 HydrophobicContact CG2-CD2 3.62Å; T207-L420 HydrophobicContact CG2-CG 4.01Å; F246-L420 HydrophobicContact CB-CD1 3.96Å
421	L	91.7	Very high	85.4	Confident	60 Å²	60	40.1 Å²	40.1	31%	0.314	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	97.3	172.5	-59.1	172.9	0	0	0	108.1	V245 F246 E247 V248 V446	V245-L421 HydrophobicContact CG1-CD1 4.44Å; F246-L421 PolarHBondContact O-N 3.44Å; E247-L421 WeakPolarHBondContact CA-O 3.47Å; E247-L421 HydrophobicContact CB-CB 4.32Å; E247-L421 HydrophobicContact CB-CD1 4.41Å; E247-L421 HydrophobicContact CG-CB 4.21Å; E247-L421 HydrophobicContact CG-CD1 4.34Å; V248-L421 PolarHBondContact N-O 3.35Å; L421-V446 HydrophobicContact CB-CG1 4.25Å; L421-V446 HydrophobicContact CD2-CG1 4.36Å
422	D	92	Very high	85.4	Confident	18 Å²	18	40.5 Å²	40.5	10%	0.096	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	176	178.4	-146.5	-41.4	0	0	0	110.7	N204 T207 V248 V446 V447	N204-D422 PolarHBondContact ND2-OD1 2.81Å; N204-D422 PolarHBondContact ND2-OD2 3.11Å; T207-D422 PolarHBondContact OG1-OD2 3.12Å; V248-D422 HydrophobicContact CG2-CB 4.45Å; D422-V446 CarbonylContact O-C 3.57Å; D422-V446 VanDerWaalsContact O-CA 3.27Å; D422-V446 WeakPolarHBondContact O-CA 3.2Å; D422-V447 HydrophobicContact CB-CG2 4.18Å; D422-V447 WeakPolarHBondContact O-CG2 3.16Å; D422-V447 PolarHBondContact O-N 2.93Å
423	V	90.2	Very high	85.3	Confident	4 Å²	4	46 Å²	46	2%	0.024	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	161.2	-177.8	-58.7	0	0	0	0	113.2	V248 T251 N444 T445 V446	V248-V423 HydrophobicContact CB-CG1 4.17Å; V248-V423 HydrophobicContact CB-CG2 4.2Å; V248-V423 HydrophobicContact CG1-CB 4.49Å; V248-V423 HydrophobicContact CG1-CG1 4.27Å; V248-V423 HydrophobicContact CG1-CG2 3.54Å; V248-V423 WeakPolarHBondContact O-CG1 3.43Å; T251-V423 HydrophobicContact CG2-CG2 4.21Å; V423-N444 HydrophobicContact CG2-CB 4.43Å; V423-T445 VanDerWaalsContact CA-O 3.23Å; V423-T445 WeakPolarHBondContact CA-O 3.32Å; V423-T445 WeakPolarHBondContact CB-O 3.32Å; V423-V446 HydrophobicContact CG1-CG2 4.32Å
424	N	87.6	Confident	85.5	Confident	7 Å²	7	42.5 Å²	42.5	4%	0.037	26%	0.259	C	S	.	.			trans	-78.2	132.6	168.4	67.2	-54.1	0	0	0	111.4	L426 P442 N444 T445 V447 I507	N424-L426 PolarHBondContact ND2-O 2.79Å; N424-L426 PolarHBondContact O-N 3Å; N424-P442 PolarHBondContact ND2-O 2.74Å; N424-P442 PolarHBondContact OD1-O 2.68Å; N424-N444 PolarHBondContact O-N 3.29Å; N424-T445 PolarHBondContact N-O 3.17Å; N424-T445 VanDerWaalsContact OD1-CA 3.3Å; N424-T445 WeakPolarHBondContact OD1-CA 3.43Å; N424-T445 WeakPolarHBondContact OD1-CB 3.41Å; N424-T445 PolarHBondContact OD1-N 3.03Å; N424-T445 PolarHBondContact OD1-O 2.98Å; N424-V447 HydrophobicContact CB-CG1 4.21Å; N424-I507 HydrophobicContact CB-CD1 3.78Å
425	P	80.1	Confident	85.6	Confident	14 Å²	14	38.3 Å²	38.3	9%	0.091	24%	0.241	C	C	.	.	S	Bend	trans	-75.9	-24	-174.9	29.8	-36.9	0	0	0	114.1	A178 Y179 T251 R443	A178-P425 WeakPolarHBondContact O-CB 3.5Å; A178-P425 WeakPolarHBondContact O-CG 3.44Å; Y179-P425 HydrophobicContact CD2-CB 3.83Å; Y179-P425 HydrophobicContact CE2-CB 4.28Å; T251-P425 HydrophobicContact CG2-CB 3.86Å; P425-R443 WeakPolarHBondContact O-CB 3.43Å
426	L	84.2	Confident	86	Confident	21 Å²	21	40.4 Å²	40.4	11%	0.11	25%	0.254	C	S	.	.	S	Bend	trans	-128	144.1	-171.9	-65.2	172.4	0	0	0	111.1	Y179 N424 L428 E471	Y179-L426 HydrophobicContact CE1-CD2 4.05Å; Y179-L426 HydrophobicContact CE2-CD2 4.01Å; Y179-L426 WeakPolarHBondContact OH-CD2 3.48Å; N424-L426 PolarHBondContact ND2-O 2.79Å; N424-L426 PolarHBondContact O-N 3Å; L426-L428 PolarHBondContact O-N 3.07Å; L426-E471 HydrophobicContact CB-CB 4.21Å; L426-E471 HydrophobicContact CD1-CB 4.28Å; L426-E471 HydrophobicContact CD1-CG 4.1Å
427	T	89.8	Confident	86.6	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.012	24%	0.235	C	C	.	.			trans	-65.3	130.7	172.5	-63.8	0	0	0	0	110.4	K439 I441 R443 E471 G472 E473	T427-K439 HydrophobicContact CG2-CB 3.79Å; T427-K439 HydrophobicContact CG2-CD 3.75Å; T427-K439 HydrophobicContact CG2-CG 3.59Å; T427-I441 CarbonylContact C-O 3.53Å; T427-I441 WeakPolarHBondContact CA-O 3.37Å; T427-R443 PolarHBondContact OG1-N 3.26Å; T427-E471 CarbonylContact O-C 3.36Å; T427-E471 VanDerWaalsContact O-CA 3.3Å; T427-E471 WeakPolarHBondContact O-CA 3.43Å; T427-G472 PolarHBondContact O-N 2.76Å; T427-E473 WeakPolarHBondContact CB-OE1 3.22Å; T427-E473 PolarHBondContact N-OE1 3.34Å; T427-E473 VanDerWaalsContact OG1-CD 3.32Å; T427-E473 PolarHBondContact OG1-OE1 2.92Å; T427-E473 PolarHBondContact OG1-OE2 3.27Å
428	L	91.7	Very high	87.1	Confident	12 Å²	12	33.1 Å²	33.1	6%	0.063	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	141.5	175.5	-57.5	176.2	0	0	0	110.7	L426 L440 I441 Y470 E471 L483 F505 I507 L513	L426-L428 PolarHBondContact O-N 3.07Å; L428-L440 PolarHBondContact O-N 3.36Å; L428-I441 HydrophobicContact CB-CB 4.31Å; L428-I441 PolarHBondContact N-O 3.07Å; L428-I441 PolarHBondContact O-N 2.88Å; L428-I441 VanDerWaalsContact O-N 3.12Å; L428-Y470 WeakPolarHBondContact CA-O 3.38Å; L428-E471 HydrophobicContact CD2-CB 3.76Å; L428-L483 HydrophobicContact CD2-CD1 3.75Å; L428-F505 HydrophobicContact CB-CD1 3.95Å; L428-F505 HydrophobicContact CB-CE1 3.99Å; L428-F505 HydrophobicContact CD1-CD1 4.47Å; L428-I507 HydrophobicContact CD1-CD1 3.49Å; L428-I507 VanDerWaalsContact CD1-CD1 3.49Å; L428-I507 HydrophobicContact CD1-CG1 3.89Å; L428-L513 HydrophobicContact CD1-CD1 3.87Å; L428-L513 HydrophobicContact CD1-CD2 4.01Å; L428-L513 HydrophobicContact CD1-CG 4.36Å; L428-L513 HydrophobicContact CD2-CD2 4.31Å
429	G	92.1	Very high	87.4	Confident	0 Å²	0	37 Å²	37	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.7	-174.8	-177.6	0	0	0	0	0	113.2	M437 T438 V469 Y470	G429-M437 VanDerWaalsContact N-CE 3.26Å; G429-T438 CarbonylContact C-O 3.6Å; G429-T438 WeakPolarHBondContact CA-O 3.43Å; G429-V469 WeakPolarHBondContact O-CA 3.21Å; G429-Y470 PolarHBondContact N-O 2.9Å; G429-Y470 PolarHBondContact O-N 3.28Å
430	I	92.9	Very high	87.6	Confident	8 Å²	8	34.4 Å²	34.4	4%	0.041	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	157.5	179.4	67.6	171.7	0	0	0	112.3	T432 T438 L440 F455 I467 Q468 V469 F505	I430-T432 HydrophobicContact CG1-CG2 4.26Å; I430-T438 PolarHBondContact N-O 3.07Å; I430-T438 PolarHBondContact O-N 2.8Å; I430-L440 HydrophobicContact CG1-CD1 4.26Å; I430-F455 HydrophobicContact CD1-CD1 3.88Å; I430-F455 HydrophobicContact CD1-CD2 3.85Å; I430-F455 HydrophobicContact CD1-CE1 3.52Å; I430-F455 HydrophobicContact CD1-CE2 3.47Å; I430-F455 VanDerWaalsContact CD1-CE2 3.47Å; I430-F455 HydrophobicContact CD1-CG 4.04Å; I430-F455 HydrophobicContact CD1-CZ 3.31Å; I430-F455 HydrophobicContact CG1-CE1 4.13Å; I430-F455 HydrophobicContact CG1-CE2 4.39Å; I430-F455 HydrophobicContact CG1-CZ 3.87Å; I430-I467 HydrophobicContact CG2-CG2 3.98Å; I430-Q468 WeakPolarHBondContact CA-O 3.34Å; I430-Q468 WeakPolarHBondContact CB-O 3.46Å; I430-V469 HydrophobicContact CG2-CG2 4.19Å; I430-F505 HydrophobicContact CG2-CE2 3.7Å; I430-F505 HydrophobicContact CG2-CZ 3.45Å; I430-F505 VanDerWaalsContact CG2-CZ 3.45Å
431	E	89.3	Confident	87.8	Confident	64 Å²	64	32.6 Å²	32.6	30%	0.299	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	132.1	165.6	-179.4	166.9	101.3	0	0	111.3	Q468 Y470 T477	E431-Q468 HydrophobicContact CB-CB 4.21Å; E431-Q468 PolarHBondContact N-O 3.44Å; E431-Q468 PolarHBondContact OE1-NE2 2.86Å; E431-Y470 HydrophobicContact CB-CD2 4.4Å; E431-Y470 HydrophobicContact CB-CE2 3.63Å; E431-T477 HydrophobicContact CB-CG2 3.57Å; E431-T477 HydrophobicContact CG-CG2 3.89Å; E431-T477 WeakPolarHBondContact OE2-CB 3.15Å; E431-T477 PolarHBondContact OE2-OG1 2.76Å
432	T	83.8	Confident	87.9	Confident	38 Å²	38	33.1 Å²	33.1	23%	0.233	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	174.1	171.3	51.2	0	0	0	0	110.4	I430 G434 G435 V436 T438 F455	I430-T432 HydrophobicContact CG1-CG2 4.26Å; T432-G434 PolarHBondContact O-N 2.86Å; T432-G435 PolarHBondContact O-N 3.01Å; T432-V436 PolarHBondContact N-O 2.91Å; T432-V436 PolarHBondContact O-N 2.89Å; T432-V436 PolarHBondContact OG1-O 2.81Å; T432-T438 WeakPolarHBondContact CG2-OG1 3.23Å; T432-T438 PolarHBondContact OG1-OG1 3.17Å; T432-F455 HydrophobicContact CG2-CD1 4.39Å; T432-F455 HydrophobicContact CG2-CE1 4.01Å
433	V	76.8	Confident	87.8	Confident	126 Å²	126	34.9 Å²	34.9	76%	0.764	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.6	126.6	-176.3	179.1	0	0	0	0	111.1	A458	V433-A458 HydrophobicContact CG2-CB 4.14Å
434	G	75.9	Confident	87.8	Confident	62 Å²	62	36.1 Å²	36.1	64%	0.639	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.7	8.1	-178.7	0	0	0	0	0	115.5	T432 V436 M476	T432-G434 PolarHBondContact O-N 2.86Å; G434-V436 VanDerWaalsContact C-N 3.32Å; G434-M476 WeakPolarHBondContact O-CE 3.31Å
435	G	83	Confident	88.1	Confident	18 Å²	18	37.4 Å²	37.4	19%	0.186	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	24.1	-179.6	0	0	0	0	0	113	T432 M476 T477	T432-G435 PolarHBondContact O-N 3.01Å; G435-M476 WeakPolarHBondContact O-CA 3.41Å; G435-T477 PolarHBondContact O-N 2.99Å; G435-T477 PolarHBondContact O-OG1 2.94Å
436	V	84.1	Confident	88.7	Confident	62 Å²	62	39.4 Å²	39.4	38%	0.376	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	134.8	-176.6	-179.4	0	0	0	0	109.8	T432 G434 T438 M476	T432-V436 PolarHBondContact N-O 2.91Å; T432-V436 PolarHBondContact O-N 2.89Å; T432-V436 PolarHBondContact OG1-O 2.81Å; G434-V436 VanDerWaalsContact C-N 3.32Å; V436-T438 PolarHBondContact O-N 2.88Å; V436-M476 HydrophobicContact CG2-SD 4.28Å
437	M	89.1	Confident	89	Confident	12 Å²	12	38.9 Å²	38.9	6%	0.059	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	106.8	175.6	-179.3	59.9	167.1	0	0	110.4	G429 Y470 P475 T477	G429-M437 VanDerWaalsContact N-CE 3.26Å; M437-Y470 WeakPolarHBondContact CE-O 3.26Å; M437-Y470 HydrophobicContact SD-CG 4.47Å; M437-P475 WeakPolarHBondContact CB-O 3.39Å; M437-P475 PolarHBondContact N-O 2.77Å; M437-T477 HydrophobicContact CB-CG2 4.2Å; M437-T477 HydrophobicContact SD-CG2 4.43Å
438	T	90.8	Very high	89.1	Confident	35 Å²	35	43 Å²	43	22%	0.215	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	113.6	169.8	-68.8	0	0	0	0	109.3	G429 I430 T432 V436 L440 F455	G429-T438 CarbonylContact C-O 3.6Å; G429-T438 WeakPolarHBondContact CA-O 3.43Å; I430-T438 PolarHBondContact N-O 3.07Å; I430-T438 PolarHBondContact O-N 2.8Å; T432-T438 WeakPolarHBondContact CG2-OG1 3.23Å; T432-T438 PolarHBondContact OG1-OG1 3.17Å; V436-T438 PolarHBondContact O-N 2.88Å; T438-L440 HydrophobicContact CG2-CD1 4.28Å; T438-L440 WeakPolarHBondContact O-CD1 3.24Å; T438-F455 HydrophobicContact CG2-CE1 4.18Å; T438-F455 HydrophobicContact CG2-CZ 4.24Å
439	K	91.5	Very high	89.3	Confident	105 Å²	105	43.7 Å²	43.7	46%	0.457	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	128.4	-176.7	-55.7	-178.7	170.6	-163	0	110.7	T427	T427-K439 HydrophobicContact CG2-CB 3.79Å; T427-K439 HydrophobicContact CG2-CD 3.75Å; T427-K439 HydrophobicContact CG2-CG 3.59Å
440	L	93.3	Very high	89.5	Confident	16 Å²	16	49.4 Å²	49.4	8%	0.084	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	-46	175.5	-85.4	75.5	0	0	0	111.9	L428 I430 T438 Q453 F455 F505	L428-L440 PolarHBondContact O-N 3.36Å; I430-L440 HydrophobicContact CG1-CD1 4.26Å; T438-L440 HydrophobicContact CG2-CD1 4.28Å; T438-L440 WeakPolarHBondContact O-CD1 3.24Å; L440-Q453 HydrophobicContact CD2-CB 4.21Å; L440-Q453 HydrophobicContact CG-CB 4.37Å; L440-F455 HydrophobicContact CD1-CE2 4.49Å; L440-F455 HydrophobicContact CD1-CZ 4.02Å; L440-F455 HydrophobicContact CD2-CE2 4.41Å; L440-F505 HydrophobicContact CB-CD2 4.5Å; L440-F505 HydrophobicContact CB-CG 4.42Å; L440-F505 HydrophobicContact CD2-CD2 3.37Å; L440-F505 HydrophobicContact CD2-CE2 3.53Å; L440-F505 HydrophobicContact CD2-CG 4.07Å; L440-F505 HydrophobicContact CD2-CZ 4.31Å
441	I	94.1	Very high	89.6	Confident	1 Å²	1	54 Å²	54	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	105.4	176.4	-57.9	174.9	0	0	0	107.6	T427 L428 T445 T449 K451 F505 I507	T427-I441 CarbonylContact C-O 3.53Å; T427-I441 WeakPolarHBondContact CA-O 3.37Å; L428-I441 HydrophobicContact CB-CB 4.31Å; L428-I441 PolarHBondContact N-O 3.07Å; L428-I441 PolarHBondContact O-N 2.88Å; L428-I441 VanDerWaalsContact O-N 3.12Å; I441-T445 HydrophobicContact CG2-CG2 4.07Å; I441-T449 HydrophobicContact CD1-CG2 4.08Å; I441-T449 HydrophobicContact CG2-CG2 4.21Å; I441-K451 HydrophobicContact CD1-CB 4.43Å; I441-K451 HydrophobicContact CD1-CG 4.47Å; I441-K451 HydrophobicContact CG1-CB 3.93Å; I441-K451 HydrophobicContact CG1-CG 3.81Å; I441-F505 HydrophobicContact CD1-CB 3.57Å; I441-F505 HydrophobicContact CG1-CB 4.22Å; I441-I507 HydrophobicContact CD1-CD1 3.85Å; I441-I507 HydrophobicContact CD1-CG1 3.87Å; I441-I507 HydrophobicContact CG2-CD1 3.99Å
442	P	93.6	Very high	89.7	Confident	70 Å²	70	54.3 Å²	54.3	46%	0.455	32%	0.317	S	S	.	.			trans	-59.6	155.4	174.5	-22.4	34.2	0	0	0	112.1	N424 T445	N424-P442 PolarHBondContact ND2-O 2.74Å; N424-P442 PolarHBondContact OD1-O 2.68Å; P442-T445 PolarHBondContact O-OG1 3.18Å
443	R	90	Very high	90.1	Very high	56 Å²	56	56.1 Å²	56.1	21%	0.211	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	155.9	167	69.9	172.7	-168.4	-125.2	9.7	111.5	D352 P425 T427 T445 E473	D352-R443 IonicContact OD1-CZ 2.76Å; D352-R443 IonicContact OD1-NE 3.01Å; D352-R443 IonicContact OD1-NH2 2.76Å; D352-R443 PolarHBondContact OD1-NH2 3.41Å; D352-R443 IonicContact OD2-CZ 3.18Å; D352-R443 IonicContact OD2-NE 2.86Å; D352-R443 PolarHBondContact OD2-NE 3.38Å; D352-R443 IonicContact OD2-NH2 3.36Å; D352-R443 PolarHBondContact OD2-NH2 2.99Å; P425-R443 WeakPolarHBondContact O-CB 3.43Å; T427-R443 PolarHBondContact OG1-N 3.26Å; R443-T445 PolarHBondContact O-N 3.17Å; R443-E473 IonicContact CZ-OE2 2.66Å; R443-E473 IonicContact NH1-OE2 2.84Å; R443-E473 PolarHBondContact NH1-OE2 3.25Å
444	N	90.3	Very high	90.7	Very high	30 Å²	30	54.7 Å²	54.7	16%	0.16	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	23.3	-177.3	-51.8	-44.5	0	0	0	114	A250 T251 D352 V423 N424	A250-N444 WeakPolarHBondContact CA-OD1 3.49Å; T251-N444 PolarHBondContact N-OD1 3.44Å; T251-N444 VanDerWaalsContact N-OD1 3.1Å; D352-N444 PolarHBondContact OD2-ND2 2.93Å; V423-N444 HydrophobicContact CG2-CB 4.43Å; N424-N444 PolarHBondContact O-N 3.29Å
445	T	93.2	Very high	91.3	Very high	33 Å²	33	53.5 Å²	53.5	20%	0.202	29%	0.287	C	S	.	.			trans	-79.9	130.7	169.3	-56.5	0	0	0	0	108.9	V423 N424 I441 P442 R443 V447 T449	V423-T445 VanDerWaalsContact CA-O 3.23Å; V423-T445 WeakPolarHBondContact CA-O 3.32Å; V423-T445 WeakPolarHBondContact CB-O 3.32Å; N424-T445 PolarHBondContact N-O 3.17Å; N424-T445 VanDerWaalsContact OD1-CA 3.3Å; N424-T445 WeakPolarHBondContact OD1-CA 3.43Å; N424-T445 WeakPolarHBondContact OD1-CB 3.41Å; N424-T445 PolarHBondContact OD1-N 3.03Å; N424-T445 PolarHBondContact OD1-O 2.98Å; I441-T445 HydrophobicContact CG2-CG2 4.07Å; P442-T445 PolarHBondContact O-OG1 3.18Å; R443-T445 PolarHBondContact O-N 3.17Å; T445-V447 PolarHBondContact O-N 3.25Å; T445-T449 HydrophobicContact CG2-CG2 4.04Å
446	V	93.8	Very high	91.4	Very high	56 Å²	56	54.7 Å²	54.7	34%	0.339	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56	134.9	177.5	178.1	0	0	0	0	110.9	L421 D422 V423 T449	L421-V446 HydrophobicContact CB-CG1 4.25Å; L421-V446 HydrophobicContact CD2-CG1 4.36Å; D422-V446 CarbonylContact O-C 3.57Å; D422-V446 VanDerWaalsContact O-CA 3.27Å; D422-V446 WeakPolarHBondContact O-CA 3.2Å; V423-V446 HydrophobicContact CG1-CG2 4.32Å; V446-T449 VanDerWaalsContact O-CB 3.28Å; V446-T449 WeakPolarHBondContact O-CB 3.3Å
447	V	90.1	Very high	91.5	Very high	10 Å²	10	52.1 Å²	52.1	6%	0.061	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	145.7	176.6	-62	0	0	0	0	111	D422 N424 T445 T449 I507	D422-V447 HydrophobicContact CB-CG2 4.18Å; D422-V447 WeakPolarHBondContact O-CG2 3.16Å; D422-V447 PolarHBondContact O-N 2.93Å; N424-V447 HydrophobicContact CB-CG1 4.21Å; T445-V447 PolarHBondContact O-N 3.25Å; V447-T449 HydrophobicContact CG1-CG2 4.45Å; V447-I507 HydrophobicContact CB-CG2 4.33Å; V447-I507 HydrophobicContact CG1-CB 4.05Å; V447-I507 HydrophobicContact CG1-CD1 4.26Å; V447-I507 HydrophobicContact CG1-CG2 3.64Å
448	P	92.9	Very high	91.3	Very high	88 Å²	88	54.6 Å²	54.6	57%	0.571	30%	0.299	S	S	*	.	S	Bend	cis	-73.4	149.8	2.1	32.1	-34.9	0	0	0	112.5	I507	P448-I507 WeakPolarHBondContact CA-O 3.45Å; P448-I507 WeakPolarHBondContact CB-O 3.44Å
449	T	95	Very high	91	Very high	27 Å²	27	55.3 Å²	55.3	17%	0.166	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	156.2	-178.7	-169.4	0	0	0	0	112.4	I441 T445 V446 V447 E506 I507	I441-T449 HydrophobicContact CD1-CG2 4.08Å; I441-T449 HydrophobicContact CG2-CG2 4.21Å; T445-T449 HydrophobicContact CG2-CG2 4.04Å; V446-T449 VanDerWaalsContact O-CB 3.28Å; V446-T449 WeakPolarHBondContact O-CB 3.3Å; V447-T449 HydrophobicContact CG1-CG2 4.45Å; T449-E506 CarbonylContact O-C 3.56Å; T449-E506 WeakPolarHBondContact O-CA 3.37Å; T449-I507 HydrophobicContact CG2-CB 4.16Å; T449-I507 HydrophobicContact CG2-CD1 3.99Å; T449-I507 HydrophobicContact CG2-CG1 4.17Å; T449-I507 PolarHBondContact N-O 3.14Å; T449-I507 PolarHBondContact O-N 3.45Å
450	K	95.5	Very high	90.8	Very high	120 Å²	120	55 Å²	55	52%	0.522	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	128.8	180	-171.4	172.6	-169.3	138.5	0	110.8	T504 F505 E506	K450-T504 HydrophobicContact CD-CG2 4.27Å; K450-T504 VanDerWaalsContact CE-CG2 3.44Å; K450-T504 HydrophobicContact CG-CG2 3.81Å; K450-F505 CarbonylContact C-O 3.58Å; K450-F505 VanDerWaalsContact CA-O 3.31Å; K450-F505 WeakPolarHBondContact CA-O 3.48Å; K450-E506 WeakPolarHBondContact CE-OE2 3.27Å; K450-E506 HydrophobicContact CG-CB 4.41Å; K450-E506 IonicContact NZ-OE2 3.85Å; K450-E506 PolarHBondContact NZ-OE2 3.47Å
451	K	94.7	Very high	90.6	Very high	106 Å²	106	58.9 Å²	58.9	46%	0.461	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	131.3	175.1	-69.4	-64.3	-176.6	-177.1	0	110.4	I441 T504 F505	I441-K451 HydrophobicContact CD1-CB 4.43Å; I441-K451 HydrophobicContact CD1-CG 4.47Å; I441-K451 HydrophobicContact CG1-CB 3.93Å; I441-K451 HydrophobicContact CG1-CG 3.81Å; K451-T504 CarbonylContact O-C 3.54Å; K451-T504 WeakPolarHBondContact O-CA 3.01Å; K451-F505 PolarHBondContact N-O 3.3Å; K451-F505 PolarHBondContact O-N 2.83Å
452	S	93	Very high	90.2	Very high	70 Å²	70	61 Å²	61	49%	0.49	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	138.3	174.1	-56	0	0	0	0	109.9	V503 T504	S452-V503 CarbonylContact C-O 3.51Å; S452-V503 VanDerWaalsContact CA-O 3.31Å; S452-V503 WeakPolarHBondContact CA-O 3.43Å; S452-T504 WeakPolarHBondContact CB-OG1 3.47Å; S452-T504 WeakPolarHBondContact OG-CB 3.48Å; S452-T504 WeakPolarHBondContact OG-CG2 3.5Å; S452-T504 PolarHBondContact OG-OG1 2.83Å
453	Q	91	Very high	89.9	Confident	75 Å²	75	61.6 Å²	61.6	35%	0.35	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	141.2	174.1	-176.9	169.2	-16.7	0	0	110.1	L440 F455 V503	L440-Q453 HydrophobicContact CD2-CB 4.21Å; L440-Q453 HydrophobicContact CG-CB 4.37Å; Q453-F455 HydrophobicContact CB-CE2 3.77Å; Q453-F455 HydrophobicContact CB-CZ 4.13Å; Q453-F455 HydrophobicContact CG-CE1 4.5Å; Q453-F455 HydrophobicContact CG-CE2 3.8Å; Q453-F455 HydrophobicContact CG-CZ 3.78Å; Q453-F455 WeakPolarHBondContact O-CD2 3.3Å; Q453-V503 PolarHBondContact N-O 3.23Å; Q453-V503 PolarHBondContact O-N 3.04Å
454	I	90.6	Very high	89.8	Confident	96 Å²	96	61 Å²	61	49%	0.492	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	129	178.6	-58.4	176.9	0	0	0	109.2	Q500 I501	I454-Q500 HydrophobicContact CG2-CB 4.21Å; I454-I501 WeakPolarHBondContact CA-O 3.49Å
455	F	87.7	Confident	89.6	Confident	38 Å²	38	60.4 Å²	60.4	17%	0.167	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	177.5	171.6	-62.4	-84.7	0	0	0	109.5	I430 T432 T438 L440 Q453 I501 V503	I430-F455 HydrophobicContact CD1-CD1 3.88Å; I430-F455 HydrophobicContact CD1-CD2 3.85Å; I430-F455 HydrophobicContact CD1-CE1 3.52Å; I430-F455 HydrophobicContact CD1-CE2 3.47Å; I430-F455 VanDerWaalsContact CD1-CE2 3.47Å; I430-F455 HydrophobicContact CD1-CG 4.04Å; I430-F455 HydrophobicContact CD1-CZ 3.31Å; I430-F455 HydrophobicContact CG1-CE1 4.13Å; I430-F455 HydrophobicContact CG1-CE2 4.39Å; I430-F455 HydrophobicContact CG1-CZ 3.87Å; T432-F455 HydrophobicContact CG2-CD1 4.39Å; T432-F455 HydrophobicContact CG2-CE1 4.01Å; T438-F455 HydrophobicContact CG2-CE1 4.18Å; T438-F455 HydrophobicContact CG2-CZ 4.24Å; L440-F455 HydrophobicContact CD1-CE2 4.49Å; L440-F455 HydrophobicContact CD1-CZ 4.02Å; L440-F455 HydrophobicContact CD2-CE2 4.41Å; Q453-F455 HydrophobicContact CB-CE2 3.77Å; Q453-F455 HydrophobicContact CB-CZ 4.13Å; Q453-F455 HydrophobicContact CG-CE1 4.5Å; Q453-F455 HydrophobicContact CG-CE2 3.8Å; Q453-F455 HydrophobicContact CG-CZ 3.78Å; Q453-F455 WeakPolarHBondContact O-CD2 3.3Å; F455-I501 PolarHBondContact N-O 2.97Å; F455-I501 PolarHBondContact O-N 2.75Å; F455-V503 HydrophobicContact CD2-CB 4Å; F455-V503 HydrophobicContact CD2-CG2 3.7Å; F455-V503 HydrophobicContact CE2-CB 4.07Å; F455-V503 HydrophobicContact CE2-CG2 4.23Å
456	S	86.1	Confident	89.3	Confident	42 Å²	42	62.3 Å²	62.3	29%	0.294	36%	0.358	S	S	.	.			trans	-148.2	168.1	178	178.2	0	0	0	0	110.9	G497 V498 P499	S456-G497 WeakPolarHBondContact OG-CA 3.28Å; S456-G497 PolarHBondContact OG-N 3.07Å; S456-G497 PolarHBondContact OG-O 2.91Å; S456-V498 PolarHBondContact OG-N 2.81Å; S456-P499 VanDerWaalsContact CA-O 3.28Å; S456-P499 WeakPolarHBondContact CA-O 3.27Å; S456-P499 WeakPolarHBondContact CB-O 3.26Å; S456-P499 PolarHBondContact OG-O 3.33Å
457	T	85.8	Confident	89	Confident	9 Å²	9	59.9 Å²	59.9	6%	0.055	34%	0.343	C	S	.	.			trans	-60	145.3	172.2	55.5	0	0	0	0	112.7	Q462 V465 I491 G497 P499	T457-Q462 HydrophobicContact CG2-CB 3.84Å; T457-Q462 HydrophobicContact CG2-CG 4.13Å; T457-V465 HydrophobicContact CG2-CG2 3.82Å; T457-I491 HydrophobicContact CG2-CD1 4.36Å; T457-I491 HydrophobicContact CG2-CG2 4.2Å; T457-G497 PolarHBondContact O-N 2.93Å; T457-P499 HydrophobicContact CG2-CB 4.05Å; T457-P499 HydrophobicContact CG2-CG 3.74Å; T457-P499 WeakPolarHBondContact OG1-CD 3.37Å
458	A	83.5	Confident	89	Confident	64 Å²	64	61.7 Å²	61.7	53%	0.529	35%	0.351	S	S	.	.	S	Bend	trans	-92.7	-15.7	178.5	0	0	0	0	0	113	V433	V433-A458 HydrophobicContact CG2-CB 4.14Å
459	A	84.9	Confident	88.9	Confident	50 Å²	50	57.5 Å²	57.5	41%	0.413	32%	0.324	S	S	.	.	S	Bend	trans	-132.8	154.3	179.8	0	0	0	0	0	112.2	Q462	A459-Q462 HydrophobicContact CB-CB 4.44Å; A459-Q462 WeakPolarHBondContact O-CB 3.47Å
460	D	88.4	Confident	88.7	Confident	99 Å²	99	56.9 Å²	56.9	53%	0.529	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	137.2	176.4	-64.3	-22.4	0	0	0	110.1	Q462 R496	D460-Q462 PolarHBondContact O-N 3.22Å; D460-R496 WeakPolarHBondContact OD1-CB 3.5Å; D460-R496 WeakPolarHBondContact OD1-CG 3.38Å; D460-R496 PolarHBondContact OD1-N 2.99Å
461	N	88.5	Confident	88.3	Confident	97 Å²	97	51.8 Å²	51.8	52%	0.519	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	27.4	179.6	-51.5	-50.1	0	0	0	114.5	P463 P493 A494	N461-P463 VanDerWaalsContact O-CD 3.25Å; N461-P463 WeakPolarHBondContact O-CD 3.27Å; N461-P493 HydrophobicContact CB-CB 4.17Å; N461-P493 WeakPolarHBondContact OD1-CB 3.24Å; N461-A494 PolarHBondContact N-O 3.36Å; N461-A494 PolarHBondContact OD1-N 3.49Å
462	Q	86.2	Confident	87.7	Confident	46 Å²	46	47.1 Å²	47.1	22%	0.215	28%	0.279	C	S	.	.			trans	-64.6	113.1	177.3	176.8	175.5	-0.8	0	0	110.6	T457 A459 D460 T464	T457-Q462 HydrophobicContact CG2-CB 3.84Å; T457-Q462 HydrophobicContact CG2-CG 4.13Å; A459-Q462 HydrophobicContact CB-CB 4.44Å; A459-Q462 WeakPolarHBondContact O-CB 3.47Å; D460-Q462 PolarHBondContact O-N 3.22Å; Q462-T464 WeakPolarHBondContact CG-O 3.17Å; Q462-T464 PolarHBondContact NE2-O 3.06Å
463	P	87.6	Confident	87.4	Confident	81 Å²	81	46.4 Å²	46.4	53%	0.526	27%	0.268	S	S	.	.			trans	-81.9	-16.5	-174.5	33.4	-35.9	0	0	0	113.5	N461 G490 I491	N461-P463 VanDerWaalsContact O-CD 3.25Å; N461-P463 WeakPolarHBondContact O-CD 3.27Å; P463-G490 PolarHBondContact O-N 3.32Å; P463-G490 VanDerWaalsContact O-N 3.1Å; P463-I491 PolarHBondContact O-N 2.89Å
464	T	86.8	Confident	87	Confident	44 Å²	44	48.9 Å²	48.9	27%	0.27	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	131.7	-174.1	-56.5	0	0	0	0	110.6	Q462 D487 L488 T489	Q462-T464 WeakPolarHBondContact CG-O 3.17Å; Q462-T464 PolarHBondContact NE2-O 3.06Å; T464-D487 HydrophobicContact CG2-CB 3.69Å; T464-L488 CarbonylContact C-O 3.53Å; T464-L488 VanDerWaalsContact CA-O 3.3Å; T464-L488 WeakPolarHBondContact CA-O 3.47Å; T464-T489 HydrophobicContact CG2-CG2 3.86Å
465	V	85.7	Confident	86.8	Confident	18 Å²	18	48.7 Å²	48.7	11%	0.109	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	116.1	170	167.9	0	0	0	0	109	T457 I467 L488 I491 I501	T457-V465 HydrophobicContact CG2-CG2 3.82Å; V465-I467 HydrophobicContact CG1-CG1 4.19Å; V465-L488 PolarHBondContact N-O 3.44Å; V465-L488 PolarHBondContact O-N 3.29Å; V465-I491 HydrophobicContact CB-CD1 3.73Å; V465-I491 HydrophobicContact CG2-CD1 3.3Å; V465-I501 HydrophobicContact CG2-CG1 4.39Å
466	T	87.4	Confident	86.8	Confident	72 Å²	72	50.6 Å²	50.6	44%	0.442	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	122.8	173.4	-54.7	0	0	0	0	109.6	Q468 D487	T466-Q468 HydrophobicContact CG2-CG 4.16Å; T466-D487 WeakPolarHBondContact CA-OD1 3.42Å; T466-D487 VanDerWaalsContact CB-OD1 3.22Å; T466-D487 WeakPolarHBondContact CB-OD1 3.32Å; T466-D487 VanDerWaalsContact CG2-OD1 3.32Å; T466-D487 WeakPolarHBondContact CG2-OD1 3.45Å; T466-D487 PolarHBondContact OG1-OD1 3.18Å
467	I	88.3	Confident	86.9	Confident	6 Å²	6	48.8 Å²	48.8	3%	0.031	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	116.8	175.5	-62	167.7	0	0	0	107.4	I430 V465 V469 K485 F486 V503 A517	I430-I467 HydrophobicContact CG2-CG2 3.98Å; V465-I467 HydrophobicContact CG1-CG1 4.19Å; I467-V469 HydrophobicContact CG2-CG2 3.91Å; I467-K485 CarbonylContact O-C 3.54Å; I467-K485 WeakPolarHBondContact O-CA 3.43Å; I467-F486 HydrophobicContact CB-CD1 4Å; I467-F486 HydrophobicContact CB-CE1 3.56Å; I467-F486 HydrophobicContact CB-CE2 4.34Å; I467-F486 HydrophobicContact CB-CZ 3.75Å; I467-F486 HydrophobicContact CD1-CE1 4.29Å; I467-F486 HydrophobicContact CD1-CE2 3.76Å; I467-F486 HydrophobicContact CD1-CZ 3.56Å; I467-F486 HydrophobicContact CG1-CZ 4.26Å; I467-F486 HydrophobicContact CG2-CD1 4.27Å; I467-F486 HydrophobicContact CG2-CE1 3.46Å; I467-F486 VanDerWaalsContact CG2-CE1 3.46Å; I467-F486 HydrophobicContact CG2-CZ 3.77Å; I467-F486 PolarHBondContact N-O 3.48Å; I467-F486 PolarHBondContact O-N 2.73Å; I467-V503 HydrophobicContact CD1-CG1 4.42Å; I467-V503 HydrophobicContact CD1-CG2 3.58Å; I467-V503 HydrophobicContact CG1-CG2 4.34Å; I467-V503 HydrophobicContact CG2-CG1 4.38Å; I467-A517 HydrophobicContact CD1-CB 3.2Å
468	Q	89.7	Confident	86.8	Confident	48 Å²	48	52.8 Å²	52.8	22%	0.224	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	123.9	173.9	-64.1	177.6	94.8	0	0	108.4	I430 E431 T466 Y470 L482 K485	I430-Q468 WeakPolarHBondContact CA-O 3.34Å; I430-Q468 WeakPolarHBondContact CB-O 3.46Å; E431-Q468 HydrophobicContact CB-CB 4.21Å; E431-Q468 PolarHBondContact N-O 3.44Å; E431-Q468 PolarHBondContact OE1-NE2 2.86Å; T466-Q468 HydrophobicContact CG2-CG 4.16Å; Q468-Y470 HydrophobicContact CB-CD2 4.46Å; Q468-Y470 HydrophobicContact CB-CE2 3.51Å; Q468-Y470 PolarHBondContact OE1-OH 3.21Å; Q468-L482 HydrophobicContact CB-CD1 4.18Å; Q468-K485 HydrophobicContact CG-CB 3.89Å
469	V	91.3	Very high	86.7	Confident	0 Å²	0	53 Å²	53	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	133.8	-173.1	-178.8	0	0	0	0	109.7	G429 I430 I467 L483 G484 F486 F505 L513 V515 I530	G429-V469 WeakPolarHBondContact O-CA 3.21Å; I430-V469 HydrophobicContact CG2-CG2 4.19Å; I467-V469 HydrophobicContact CG2-CG2 3.91Å; V469-L483 HydrophobicContact CG1-CB 4.4Å; V469-L483 HydrophobicContact CG1-CD1 4.25Å; V469-L483 PolarHBondContact O-N 2.96Å; V469-G484 PolarHBondContact N-O 2.84Å; V469-G484 PolarHBondContact O-N 3.22Å; V469-F486 HydrophobicContact CG2-CE1 4.18Å; V469-F505 HydrophobicContact CB-CZ 4.34Å; V469-F505 HydrophobicContact CG1-CE1 3.52Å; V469-F505 HydrophobicContact CG1-CZ 3.57Å; V469-F505 HydrophobicContact CG2-CZ 3.95Å; V469-L513 HydrophobicContact CG1-CD2 3.86Å; V469-V515 HydrophobicContact CG1-CG2 4.38Å; V469-V515 HydrophobicContact CG2-CG1 4.26Å; V469-V515 HydrophobicContact CG2-CG2 4.31Å; V469-I530 HydrophobicContact CB-CD1 3.31Å; V469-I530 HydrophobicContact CG1-CD1 3.39Å; V469-I530 HydrophobicContact CG2-CD1 3.55Å
470	Y	89.2	Confident	86.7	Confident	14 Å²	14	51.7 Å²	51.7	6%	0.055	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	155.8	-174.8	-62.6	-100.3	0	0	0	111.1	L428 G429 E431 M437 Q468 T477 N480 H481 L482	L428-Y470 WeakPolarHBondContact CA-O 3.38Å; G429-Y470 PolarHBondContact N-O 2.9Å; G429-Y470 PolarHBondContact O-N 3.28Å; E431-Y470 HydrophobicContact CB-CD2 4.4Å; E431-Y470 HydrophobicContact CB-CE2 3.63Å; M437-Y470 WeakPolarHBondContact CE-O 3.26Å; M437-Y470 HydrophobicContact SD-CG 4.47Å; Q468-Y470 HydrophobicContact CB-CD2 4.46Å; Q468-Y470 HydrophobicContact CB-CE2 3.51Å; Q468-Y470 PolarHBondContact OE1-OH 3.21Å; Y470-T477 HydrophobicContact CD2-CG2 3.9Å; Y470-T477 HydrophobicContact CE1-CG2 4.5Å; Y470-T477 WeakPolarHBondContact CE1-O 3.45Å; Y470-T477 HydrophobicContact CE2-CG2 3.81Å; Y470-T477 HydrophobicContact CG-CG2 4.32Å; Y470-N480 HydrophobicContact CD1-CB 4.28Å; Y470-H481 CarbonylContact C-O 3.56Å; Y470-H481 WeakPolarHBondContact CA-O 3.26Å; Y470-H481 WeakPolarHBondContact CB-O 3.34Å; Y470-L482 HydrophobicContact CD1-CB 4.11Å; Y470-L482 HydrophobicContact CD1-CD1 4.24Å; Y470-L482 HydrophobicContact CD2-CD1 4.46Å; Y470-L482 HydrophobicContact CE1-CB 3.85Å; Y470-L482 HydrophobicContact CE1-CD1 3.74Å; Y470-L482 HydrophobicContact CE1-CG 4.39Å; Y470-L482 HydrophobicContact CE2-CD1 3.96Å
471	E	87.3	Confident	86.4	Confident	12 Å²	12	50 Å²	50	6%	0.056	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	137.4	164.1	64.5	178.1	-175.1	0	0	110.4	N181 L426 T427 L428 N480 H481 L483	N181-E471 VanDerWaalsContact CB-CD 3.44Å; N181-E471 WeakPolarHBondContact CB-OE1 3.32Å; N181-E471 VanDerWaalsContact CB-OE2 3.28Å; N181-E471 WeakPolarHBondContact CB-OE2 3.48Å; N181-E471 PolarHBondContact ND2-OE1 3.19Å; L426-E471 HydrophobicContact CB-CB 4.21Å; L426-E471 HydrophobicContact CD1-CB 4.28Å; L426-E471 HydrophobicContact CD1-CG 4.1Å; T427-E471 CarbonylContact O-C 3.36Å; T427-E471 VanDerWaalsContact O-CA 3.3Å; T427-E471 WeakPolarHBondContact O-CA 3.43Å; L428-E471 HydrophobicContact CD2-CB 3.76Å; E471-N480 WeakPolarHBondContact O-CB 3.45Å; E471-H481 HydrophobicContact CG-CB 3.75Å; E471-H481 PolarHBondContact N-O 2.93Å; E471-H481 PolarHBondContact O-N 2.97Å; E471-H481 IonicContact OE1-CD2 3.55Å; E471-H481 PolarHBondContact OE1-CD2 3.11Å; E471-H481 IonicContact OE1-CG 2.79Å; E471-H481 IonicContact OE1-NE2 3.18Å; E471-L483 HydrophobicContact CB-CD1 3.92Å; E471-L483 HydrophobicContact CB-CD2 4.44Å; E471-L483 HydrophobicContact CB-CG 4.12Å; E471-L483 HydrophobicContact CG-CD1 4.27Å; E471-L483 HydrophobicContact CG-CD2 3.89Å; E471-L483 HydrophobicContact CG-CG 3.94Å
472	G	82.6	Confident	86.3	Confident	9 Å²	9	48.6 Å²	48.6	9%	0.093	27%	0.27	C	S	.	.	S	Bend	trans	142.4	170.4	175.2	0	0	0	0	0	114.4	T427 N480	T427-G472 PolarHBondContact O-N 2.76Å; G472-N480 VanDerWaalsContact C-OD1 3.25Å; G472-N480 WeakPolarHBondContact CA-OD1 3.31Å
473	E	86.1	Confident	86.2	Confident	54 Å²	54	46.5 Å²	46.5	25%	0.252	26%	0.26	S	S	.	.	S	Bend	trans	-100.2	-7.1	-169.4	-57	-60.6	126.8	0	0	113.3	T427 R443 N480	T427-E473 WeakPolarHBondContact CB-OE1 3.22Å; T427-E473 PolarHBondContact N-OE1 3.34Å; T427-E473 VanDerWaalsContact OG1-CD 3.32Å; T427-E473 PolarHBondContact OG1-OE1 2.92Å; T427-E473 PolarHBondContact OG1-OE2 3.27Å; R443-E473 IonicContact CZ-OE2 2.66Å; R443-E473 IonicContact NH1-OE2 2.84Å; R443-E473 PolarHBondContact NH1-OE2 3.25Å; E473-N480 PolarHBondContact N-OD1 2.97Å
474	R	83.3	Confident	86	Confident	127 Å²	127	42.9 Å²	42.9	48%	0.479	24%	0.238	S	C	.	.			trans	-79.9	147.6	-174.2	-58.2	-161.6	58.5	-144.5	-13.7	110.7	M476 D479 N480	R474-M476 VanDerWaalsContact C-N 3.32Å; R474-M476 PolarHBondContact O-N 3.18Å; R474-D479 HydrophobicContact CB-CB 3.8Å; R474-D479 WeakPolarHBondContact CD-O 3.45Å; R474-D479 HydrophobicContact CG-CB 4.35Å; R474-D479 IonicContact CZ-OD1 3.31Å; R474-D479 VanDerWaalsContact CZ-OD1 3.31Å; R474-D479 IonicContact CZ-OD2 3.17Å; R474-D479 IonicContact NE-OD2 3.99Å; R474-D479 IonicContact NH1-OD1 2.66Å; R474-D479 PolarHBondContact NH1-OD1 2.98Å; R474-D479 IonicContact NH1-OD2 3.41Å; R474-D479 PolarHBondContact NH1-OD2 3.33Å; R474-D479 IonicContact NH2-OD1 3.37Å; R474-D479 PolarHBondContact NH2-OD1 2.82Å; R474-D479 IonicContact NH2-OD2 2.71Å; R474-D479 PolarHBondContact NH2-OD2 2.84Å; R474-N480 WeakPolarHBondContact CB-OD1 3.03Å; R474-N480 PolarHBondContact N-OD1 3.37Å; R474-N480 PolarHBondContact O-ND2 2.89Å
475	P	85.5	Confident	86	Confident	92 Å²	92	46.9 Å²	46.9	60%	0.597	25%	0.251	S	S	*	.	S	Bend	trans	-72.5	-22.6	-174.7	27.1	-35	0	0	0	114.2	M437	M437-P475 WeakPolarHBondContact CB-O 3.39Å; M437-P475 PolarHBondContact N-O 2.77Å
476	M	88.4	Confident	85.9	Confident	78 Å²	78	46.8 Å²	46.8	38%	0.384	25%	0.249	S	C	.	.	B	Isolated β-bridge	trans	-104.5	144.1	177.4	-58.5	-61.7	-77.5	0	0	109.9	G434 G435 V436 R474 D479 N480	G434-M476 WeakPolarHBondContact O-CE 3.31Å; G435-M476 WeakPolarHBondContact O-CA 3.41Å; V436-M476 HydrophobicContact CG2-SD 4.28Å; R474-M476 VanDerWaalsContact C-N 3.32Å; R474-M476 PolarHBondContact O-N 3.18Å; M476-D479 WeakPolarHBondContact O-CB 3.41Å; M476-D479 PolarHBondContact O-N 2.71Å; M476-N480 PolarHBondContact O-ND2 2.78Å; M476-N480 VanDerWaalsContact O-ND2 3.14Å
477	T	87.9	Confident	85.9	Confident	4 Å²	4	46.9 Å²	46.9	3%	0.025	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-69.3	-36.4	-177.9	51.6	0	0	0	0	112.8	E431 G435 M437 Y470 D479 N480	E431-T477 HydrophobicContact CB-CG2 3.57Å; E431-T477 HydrophobicContact CG-CG2 3.89Å; E431-T477 WeakPolarHBondContact OE2-CB 3.15Å; E431-T477 PolarHBondContact OE2-OG1 2.76Å; G435-T477 PolarHBondContact O-N 2.99Å; G435-T477 PolarHBondContact O-OG1 2.94Å; M437-T477 HydrophobicContact CB-CG2 4.2Å; M437-T477 HydrophobicContact SD-CG2 4.43Å; Y470-T477 HydrophobicContact CD2-CG2 3.9Å; Y470-T477 HydrophobicContact CE1-CG2 4.5Å; Y470-T477 WeakPolarHBondContact CE1-O 3.45Å; Y470-T477 HydrophobicContact CE2-CG2 3.81Å; Y470-T477 HydrophobicContact CG-CG2 4.32Å; T477-D479 PolarHBondContact O-N 3.37Å; T477-N480 PolarHBondContact O-N 3.33Å
478	A	84.8	Confident	85.8	Confident	93 Å²	93	46.6 Å²	46.6	77%	0.769	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-58	-14.7	176.5	0	0	0	0	0	114.4
479	D	81.8	Confident	85.6	Confident	69 Å²	69	47.7 Å²	47.7	37%	0.369	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-108.9	-3.2	-175.1	-77.9	-39.7	0	0	0	113	R474 M476 T477	R474-D479 HydrophobicContact CB-CB 3.8Å; R474-D479 WeakPolarHBondContact CD-O 3.45Å; R474-D479 HydrophobicContact CG-CB 4.35Å; R474-D479 IonicContact CZ-OD1 3.31Å; R474-D479 VanDerWaalsContact CZ-OD1 3.31Å; R474-D479 IonicContact CZ-OD2 3.17Å; R474-D479 IonicContact NE-OD2 3.99Å; R474-D479 IonicContact NH1-OD1 2.66Å; R474-D479 PolarHBondContact NH1-OD1 2.98Å; R474-D479 IonicContact NH1-OD2 3.41Å; R474-D479 PolarHBondContact NH1-OD2 3.33Å; R474-D479 IonicContact NH2-OD1 3.37Å; R474-D479 PolarHBondContact NH2-OD1 2.82Å; R474-D479 IonicContact NH2-OD2 2.71Å; R474-D479 PolarHBondContact NH2-OD2 2.84Å; M476-D479 WeakPolarHBondContact O-CB 3.41Å; M476-D479 PolarHBondContact O-N 2.71Å; T477-D479 PolarHBondContact O-N 3.37Å
480	N	83.7	Confident	85.3	Confident	23 Å²	23	50.2 Å²	50.2	12%	0.123	28%	0.282	C	S	.	.	S	Bend	trans	-110	170.5	177	-70.4	-41.4	0	0	0	109.9	Y470 E471 G472 E473 R474 M476 T477	Y470-N480 HydrophobicContact CD1-CB 4.28Å; E471-N480 WeakPolarHBondContact O-CB 3.45Å; G472-N480 VanDerWaalsContact C-OD1 3.25Å; G472-N480 WeakPolarHBondContact CA-OD1 3.31Å; E473-N480 PolarHBondContact N-OD1 2.97Å; R474-N480 WeakPolarHBondContact CB-OD1 3.03Å; R474-N480 PolarHBondContact N-OD1 3.37Å; R474-N480 PolarHBondContact O-ND2 2.89Å; M476-N480 PolarHBondContact O-ND2 2.78Å; M476-N480 VanDerWaalsContact O-ND2 3.14Å; T477-N480 PolarHBondContact O-N 3.33Å
481	H	81.6	Confident	85.1	Confident	63 Å²	63	49.9 Å²	49.9	29%	0.292	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	127	177.7	-176	70.1	0	0	0	110	Y470 E471 L483	Y470-H481 CarbonylContact C-O 3.56Å; Y470-H481 WeakPolarHBondContact CA-O 3.26Å; Y470-H481 WeakPolarHBondContact CB-O 3.34Å; E471-H481 HydrophobicContact CG-CB 3.75Å; E471-H481 PolarHBondContact N-O 2.93Å; E471-H481 PolarHBondContact O-N 2.97Å; E471-H481 IonicContact OE1-CD2 3.55Å; E471-H481 PolarHBondContact OE1-CD2 3.11Å; E471-H481 IonicContact OE1-CG 2.79Å; E471-H481 IonicContact OE1-NE2 3.18Å; H481-L483 PolarHBondContact O-N 2.84Å
482	L	86.6	Confident	85.2	Confident	68 Å²	68	52.1 Å²	52.1	36%	0.356	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	117.1	174.8	176	70.2	0	0	0	108.7	Q468 Y470	Q468-L482 HydrophobicContact CB-CD1 4.18Å; Y470-L482 HydrophobicContact CD1-CB 4.11Å; Y470-L482 HydrophobicContact CD1-CD1 4.24Å; Y470-L482 HydrophobicContact CD2-CD1 4.46Å; Y470-L482 HydrophobicContact CE1-CB 3.85Å; Y470-L482 HydrophobicContact CE1-CD1 3.74Å; Y470-L482 HydrophobicContact CE1-CG 4.39Å; Y470-L482 HydrophobicContact CE2-CD1 3.96Å
483	L	84.5	Confident	85.5	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.005	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-35	176.5	-70.9	178.1	0	0	0	112.2	D182 L428 V469 E471 H481 L513 I530 N532	D182-L483 HydrophobicContact CB-CD2 3.95Å; L428-L483 HydrophobicContact CD2-CD1 3.75Å; V469-L483 HydrophobicContact CG1-CB 4.4Å; V469-L483 HydrophobicContact CG1-CD1 4.25Å; V469-L483 PolarHBondContact O-N 2.96Å; E471-L483 HydrophobicContact CB-CD1 3.92Å; E471-L483 HydrophobicContact CB-CD2 4.44Å; E471-L483 HydrophobicContact CB-CG 4.12Å; E471-L483 HydrophobicContact CG-CD1 4.27Å; E471-L483 HydrophobicContact CG-CD2 3.89Å; E471-L483 HydrophobicContact CG-CG 3.94Å; H481-L483 PolarHBondContact O-N 2.84Å; L483-L513 HydrophobicContact CD1-CD2 3.82Å; L483-I530 HydrophobicContact CB-CD1 4.35Å; L483-I530 HydrophobicContact CB-CG2 3.92Å; L483-I530 WeakPolarHBondContact O-CG2 3.33Å; L483-N532 WeakPolarHBondContact O-CB 3.31Å; L483-N532 PolarHBondContact O-ND2 2.77Å; L483-N532 PolarHBondContact O-OD1 2.79Å
484	G	83.4	Confident	85.7	Confident	6 Å²	6	55.2 Å²	55.2	6%	0.062	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174	169.9	-179.5	0	0	0	0	0	112.9	V469	V469-G484 PolarHBondContact N-O 2.84Å; V469-G484 PolarHBondContact O-N 3.22Å
485	K	87.2	Confident	86	Confident	127 Å²	127	53.1 Å²	53.1	55%	0.552	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.2	146.8	174.6	69.6	-179.4	-179.5	-179.6	0	110.9	I467 Q468	I467-K485 CarbonylContact O-C 3.54Å; I467-K485 WeakPolarHBondContact O-CA 3.43Å; Q468-K485 HydrophobicContact CG-CB 3.89Å
486	F	84.3	Confident	86.1	Confident	16 Å²	16	57 Å²	57	7%	0.07	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	153.3	176.1	64.5	-72.5	0	0	0	111.1	I467 V469 V515 A517 I528	I467-F486 HydrophobicContact CB-CD1 4Å; I467-F486 HydrophobicContact CB-CE1 3.56Å; I467-F486 HydrophobicContact CB-CE2 4.34Å; I467-F486 HydrophobicContact CB-CZ 3.75Å; I467-F486 HydrophobicContact CD1-CE1 4.29Å; I467-F486 HydrophobicContact CD1-CE2 3.76Å; I467-F486 HydrophobicContact CD1-CZ 3.56Å; I467-F486 HydrophobicContact CG1-CZ 4.26Å; I467-F486 HydrophobicContact CG2-CD1 4.27Å; I467-F486 HydrophobicContact CG2-CE1 3.46Å; I467-F486 VanDerWaalsContact CG2-CE1 3.46Å; I467-F486 HydrophobicContact CG2-CZ 3.77Å; I467-F486 PolarHBondContact N-O 3.48Å; I467-F486 PolarHBondContact O-N 2.73Å; V469-F486 HydrophobicContact CG2-CE1 4.18Å; F486-V515 HydrophobicContact CE1-CB 4.35Å; F486-V515 HydrophobicContact CE1-CG1 3.88Å; F486-V515 HydrophobicContact CZ-CB 4.44Å; F486-V515 HydrophobicContact CZ-CG1 3.77Å; F486-A517 HydrophobicContact CE2-CB 3.57Å; F486-A517 HydrophobicContact CZ-CB 3.97Å; F486-I528 HydrophobicContact CB-CB 4.05Å; F486-I528 HydrophobicContact CB-CD1 3.84Å; F486-I528 HydrophobicContact CB-CG2 4.33Å; F486-I528 HydrophobicContact CD1-CB 3.8Å; F486-I528 HydrophobicContact CD1-CD1 4.25Å; F486-I528 HydrophobicContact CD1-CG2 3.12Å; F486-I528 HydrophobicContact CD2-CB 4.26Å; F486-I528 HydrophobicContact CD2-CG2 4.17Å; F486-I528 HydrophobicContact CE1-CB 4.26Å; F486-I528 HydrophobicContact CE1-CG2 3.2Å; F486-I528 HydrophobicContact CE2-CG2 4.22Å; F486-I528 HydrophobicContact CG-CB 3.79Å; F486-I528 HydrophobicContact CG-CD1 4.33Å; F486-I528 HydrophobicContact CG-CG2 3.63Å; F486-I528 HydrophobicContact CZ-CG2 3.78Å
487	D	86.4	Confident	85.8	Confident	74 Å²	74	55.4 Å²	55.4	40%	0.396	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	119	-175.6	-72.4	-27.2	0	0	0	110.7	T464 T466 T489 N526	T464-D487 HydrophobicContact CG2-CB 3.69Å; T466-D487 WeakPolarHBondContact CA-OD1 3.42Å; T466-D487 VanDerWaalsContact CB-OD1 3.22Å; T466-D487 WeakPolarHBondContact CB-OD1 3.32Å; T466-D487 VanDerWaalsContact CG2-OD1 3.32Å; T466-D487 WeakPolarHBondContact CG2-OD1 3.45Å; T466-D487 PolarHBondContact OG1-OD1 3.18Å; D487-T489 HydrophobicContact CB-CG2 4.19Å; D487-T489 PolarHBondContact O-N 3.03Å; D487-N526 PolarHBondContact O-ND2 3.29Å
488	L	86	Confident	85.9	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	103	163.6	-178.1	64.9	0	0	0	108.2	T464 V465 I501 A517 D519 N526	T464-L488 CarbonylContact C-O 3.53Å; T464-L488 VanDerWaalsContact CA-O 3.3Å; T464-L488 WeakPolarHBondContact CA-O 3.47Å; V465-L488 PolarHBondContact N-O 3.44Å; V465-L488 PolarHBondContact O-N 3.29Å; L488-I501 HydrophobicContact CD2-CD1 3.87Å; L488-I501 HydrophobicContact CD2-CG1 4.5Å; L488-I501 HydrophobicContact CD2-CG2 3.63Å; L488-A517 HydrophobicContact CD2-CB 4.3Å; L488-D519 HydrophobicContact CD2-CB 4.34Å; L488-N526 HydrophobicContact CD1-CB 3.7Å
489	T	86.2	Confident	86	Confident	72 Å²	72	55.3 Å²	55.3	44%	0.442	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	170.3	179.6	62.2	0	0	0	0	111.4	T464 D487 N524	T464-T489 HydrophobicContact CG2-CG2 3.86Å; D487-T489 HydrophobicContact CB-CG2 4.19Å; D487-T489 PolarHBondContact O-N 3.03Å; T489-N524 PolarHBondContact O-ND2 3.14Å
490	G	85.1	Confident	86.4	Confident	52 Å²	52	56 Å²	56	54%	0.536	32%	0.322	S	S	.	.			trans	78.9	23.1	174.4	0	0	0	0	0	114.3	P463 P492	P463-G490 PolarHBondContact O-N 3.32Å; P463-G490 VanDerWaalsContact O-N 3.1Å; G490-P492 WeakPolarHBondContact O-CD 3.5Å
491	I	85.5	Confident	86.6	Confident	7 Å²	7	55 Å²	55	4%	0.036	32%	0.316	C	S	.	.			trans	-73.4	124	176.1	-59.6	172	0	0	0	108.7	T457 P463 V465 P499 I501	T457-I491 HydrophobicContact CG2-CD1 4.36Å; T457-I491 HydrophobicContact CG2-CG2 4.2Å; P463-I491 PolarHBondContact O-N 2.89Å; V465-I491 HydrophobicContact CB-CD1 3.73Å; V465-I491 HydrophobicContact CG2-CD1 3.3Å; I491-P499 HydrophobicContact CG2-CB 3.88Å; I491-P499 HydrophobicContact CG2-CG 3.84Å; I491-I501 HydrophobicContact CD1-CD1 4.05Å; I491-I501 HydrophobicContact CG1-CD1 4.41Å
492	P	88.3	Confident	87.1	Confident	60 Å²	60	52.4 Å²	52.4	39%	0.39	31%	0.305	S	S	.	.			trans	-60.4	146	179.3	-24.1	33.9	0	0	0	112.4	G490 A494 T522	G490-P492 WeakPolarHBondContact O-CD 3.5Å; P492-A494 PolarHBondContact O-N 3.36Å; P492-A494 VanDerWaalsContact O-N 3.08Å; P492-T522 HydrophobicContact CG-CG2 3.34Å
493	P	89.7	Confident	87.3	Confident	109 Å²	109	49.2 Å²	49.2	71%	0.708	29%	0.288	S	S	*	.	S	Bend	trans	-57.2	115.8	174.5	-24.5	34.1	0	0	0	111.6	N461	N461-P493 HydrophobicContact CB-CB 4.17Å; N461-P493 WeakPolarHBondContact OD1-CB 3.24Å
494	A	89.3	Confident	87.7	Confident	19 Å²	19	49.8 Å²	49.8	16%	0.157	29%	0.292	C	S	.	.			trans	-147.5	158.1	176.7	0	0	0	0	0	110.1	N461 P492 V498 P499	N461-A494 PolarHBondContact N-O 3.36Å; N461-A494 PolarHBondContact OD1-N 3.49Å; P492-A494 PolarHBondContact O-N 3.36Å; P492-A494 VanDerWaalsContact O-N 3.08Å; A494-V498 HydrophobicContact CB-CB 4.1Å; A494-V498 HydrophobicContact CB-CG1 4.14Å; A494-P499 HydrophobicContact CB-CG 4.09Å
495	P	89.6	Confident	88.2	Confident	82 Å²	82	49.5 Å²	49.5	53%	0.532	29%	0.289	S	S	.	.			trans	-55	148.5	170	-22.4	32.7	0	0	0	111.4	V498	P495-V498 HydrophobicContact CB-CG2 4Å; P495-V498 HydrophobicContact CG-CG2 4.29Å; P495-V498 VanDerWaalsContact O-CB 3.32Å; P495-V498 WeakPolarHBondContact O-CB 3.26Å; P495-V498 WeakPolarHBondContact O-CG2 3.44Å; P495-V498 PolarHBondContact O-N 3.43Å
496	R	87.2	Confident	88.5	Confident	173 Å²	173	47.3 Å²	47.3	65%	0.653	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	143.7	173.7	70.6	-176	-177.2	165.4	-0.4	110.4	D460 V498	D460-R496 WeakPolarHBondContact OD1-CB 3.5Å; D460-R496 WeakPolarHBondContact OD1-CG 3.38Å; D460-R496 PolarHBondContact OD1-N 2.99Å; R496-V498 VanDerWaalsContact C-N 3.27Å; R496-V498 PolarHBondContact O-N 3.11Å
497	G	83.9	Confident	88.8	Confident	46 Å²	46	46.7 Å²	46.7	47%	0.474	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	84	-10.4	-178	0	0	0	0	0	115.3	S456 T457	S456-G497 WeakPolarHBondContact OG-CA 3.28Å; S456-G497 PolarHBondContact OG-N 3.07Å; S456-G497 PolarHBondContact OG-O 2.91Å; T457-G497 PolarHBondContact O-N 2.93Å
498	V	89.5	Confident	88.9	Confident	82 Å²	82	44.8 Å²	44.8	50%	0.497	27%	0.268	S	S	.	.			trans	-85.6	-50.9	-178.5	177.9	0	0	0	0	113	S456 A494 P495 R496 Q500	S456-V498 PolarHBondContact OG-N 2.81Å; A494-V498 HydrophobicContact CB-CB 4.1Å; A494-V498 HydrophobicContact CB-CG1 4.14Å; P495-V498 HydrophobicContact CB-CG2 4Å; P495-V498 HydrophobicContact CG-CG2 4.29Å; P495-V498 VanDerWaalsContact O-CB 3.32Å; P495-V498 WeakPolarHBondContact O-CB 3.26Å; P495-V498 WeakPolarHBondContact O-CG2 3.44Å; P495-V498 PolarHBondContact O-N 3.43Å; R496-V498 VanDerWaalsContact C-N 3.27Å; R496-V498 PolarHBondContact O-N 3.11Å; V498-Q500 PolarHBondContact O-N 3.12Å; V498-Q500 PolarHBondContact O-NE2 2.8Å
499	P	86.7	Confident	89	Confident	13 Å²	13	47.6 Å²	47.6	8%	0.084	29%	0.285	C	S	.	.	S	Bend	trans	-58.3	131	179.2	-25.5	37	0	0	0	112.1	S456 T457 I491 A494 I501	S456-P499 VanDerWaalsContact CA-O 3.28Å; S456-P499 WeakPolarHBondContact CA-O 3.27Å; S456-P499 WeakPolarHBondContact CB-O 3.26Å; S456-P499 PolarHBondContact OG-O 3.33Å; T457-P499 HydrophobicContact CG2-CB 4.05Å; T457-P499 HydrophobicContact CG2-CG 3.74Å; T457-P499 WeakPolarHBondContact OG1-CD 3.37Å; I491-P499 HydrophobicContact CG2-CB 3.88Å; I491-P499 HydrophobicContact CG2-CG 3.84Å; A494-P499 HydrophobicContact CB-CG 4.09Å; P499-I501 HydrophobicContact CB-CD1 4.19Å
500	Q	89.8	Confident	88.7	Confident	84 Å²	84	45 Å²	45	39%	0.393	27%	0.268	S	S	.	.			trans	-101	92.4	-177.1	-62.2	-65.7	-66.2	0	0	109.4	I454 V498 K520	I454-Q500 HydrophobicContact CG2-CB 4.21Å; V498-Q500 PolarHBondContact O-N 3.12Å; V498-Q500 PolarHBondContact O-NE2 2.8Å; Q500-K520 HydrophobicContact CB-CB 4.08Å; Q500-K520 PolarHBondContact O-N 2.92Å
501	I	88.3	Confident	88.6	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	103.8	-177.5	-50	-50.9	0	0	0	109.5	I454 F455 V465 L488 I491 P499 V503 E518 D519	I454-I501 WeakPolarHBondContact CA-O 3.49Å; F455-I501 PolarHBondContact N-O 2.97Å; F455-I501 PolarHBondContact O-N 2.75Å; V465-I501 HydrophobicContact CG2-CG1 4.39Å; L488-I501 HydrophobicContact CD2-CD1 3.87Å; L488-I501 HydrophobicContact CD2-CG1 4.5Å; L488-I501 HydrophobicContact CD2-CG2 3.63Å; I491-I501 HydrophobicContact CD1-CD1 4.05Å; I491-I501 HydrophobicContact CG1-CD1 4.41Å; P499-I501 HydrophobicContact CB-CD1 4.19Å; I501-V503 HydrophobicContact CG2-CG2 4.24Å; I501-V503 PolarHBondContact O-N 3.34Å; I501-E518 CarbonylContact C-O 3.44Å; I501-E518 WeakPolarHBondContact CA-O 3.36Å; I501-D519 HydrophobicContact CD1-CB 3.87Å
502	S	92.1	Very high	88.4	Confident	8 Å²	8	43.5 Å²	43.5	6%	0.056	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	111	176.8	179.2	0	0	0	0	110.2	A517 E518 K520	S502-A517 WeakPolarHBondContact O-CA 3.44Å; S502-E518 PolarHBondContact N-O 3.37Å; S502-E518 PolarHBondContact O-N 3.07Å; S502-K520 VanDerWaalsContact CB-CE 3.49Å
503	V	91.2	Very high	88.2	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	126.3	174.3	-173.2	0	0	0	0	108.9	S452 Q453 F455 I467 I501 F505 V515 T516 A517	S452-V503 CarbonylContact C-O 3.51Å; S452-V503 VanDerWaalsContact CA-O 3.31Å; S452-V503 WeakPolarHBondContact CA-O 3.43Å; Q453-V503 PolarHBondContact N-O 3.23Å; Q453-V503 PolarHBondContact O-N 3.04Å; F455-V503 HydrophobicContact CD2-CB 4Å; F455-V503 HydrophobicContact CD2-CG2 3.7Å; F455-V503 HydrophobicContact CE2-CB 4.07Å; F455-V503 HydrophobicContact CE2-CG2 4.23Å; I467-V503 HydrophobicContact CD1-CG1 4.42Å; I467-V503 HydrophobicContact CD1-CG2 3.58Å; I467-V503 HydrophobicContact CG1-CG2 4.34Å; I467-V503 HydrophobicContact CG2-CG1 4.38Å; I501-V503 HydrophobicContact CG2-CG2 4.24Å; I501-V503 PolarHBondContact O-N 3.34Å; V503-F505 HydrophobicContact CG1-CD2 4.02Å; V503-F505 HydrophobicContact CG1-CE2 3.63Å; V503-V515 HydrophobicContact CG1-CG1 3.8Å; V503-T516 CarbonylContact C-O 3.56Å; V503-T516 WeakPolarHBondContact CA-O 3.34Å; V503-A517 HydrophobicContact CG2-CB 4.4Å
504	T	93	Very high	88.2	Confident	13 Å²	13	38.2 Å²	38.2	8%	0.08	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	123.1	-176.3	-54.8	0	0	0	0	110.3	K450 K451 S452 V515 T516	K450-T504 HydrophobicContact CD-CG2 4.27Å; K450-T504 VanDerWaalsContact CE-CG2 3.44Å; K450-T504 HydrophobicContact CG-CG2 3.81Å; K451-T504 CarbonylContact O-C 3.54Å; K451-T504 WeakPolarHBondContact O-CA 3.01Å; S452-T504 WeakPolarHBondContact CB-OG1 3.47Å; S452-T504 WeakPolarHBondContact OG-CB 3.48Å; S452-T504 WeakPolarHBondContact OG-CG2 3.5Å; S452-T504 PolarHBondContact OG-OG1 2.83Å; T504-V515 CarbonylContact O-C 3.57Å; T504-V515 VanDerWaalsContact O-CA 3.31Å; T504-V515 WeakPolarHBondContact O-CA 3.39Å; T504-T516 WeakPolarHBondContact CB-OG1 3.32Å; T504-T516 PolarHBondContact N-O 2.88Å; T504-T516 PolarHBondContact O-N 3.09Å
505	F	93.6	Very high	88.2	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	126.6	174.1	-78	-129.3	0	0	0	107.9	L428 I430 L440 I441 K450 K451 V469 V503 L513 V515	L428-F505 HydrophobicContact CB-CD1 3.95Å; L428-F505 HydrophobicContact CB-CE1 3.99Å; L428-F505 HydrophobicContact CD1-CD1 4.47Å; I430-F505 HydrophobicContact CG2-CE2 3.7Å; I430-F505 HydrophobicContact CG2-CZ 3.45Å; I430-F505 VanDerWaalsContact CG2-CZ 3.45Å; L440-F505 HydrophobicContact CB-CD2 4.5Å; L440-F505 HydrophobicContact CB-CG 4.42Å; L440-F505 HydrophobicContact CD2-CD2 3.37Å; L440-F505 HydrophobicContact CD2-CE2 3.53Å; L440-F505 HydrophobicContact CD2-CG 4.07Å; L440-F505 HydrophobicContact CD2-CZ 4.31Å; I441-F505 HydrophobicContact CD1-CB 3.57Å; I441-F505 HydrophobicContact CG1-CB 4.22Å; K450-F505 CarbonylContact C-O 3.58Å; K450-F505 VanDerWaalsContact CA-O 3.31Å; K450-F505 WeakPolarHBondContact CA-O 3.48Å; K451-F505 PolarHBondContact N-O 3.3Å; K451-F505 PolarHBondContact O-N 2.83Å; V469-F505 HydrophobicContact CB-CZ 4.34Å; V469-F505 HydrophobicContact CG1-CE1 3.52Å; V469-F505 HydrophobicContact CG1-CZ 3.57Å; V469-F505 HydrophobicContact CG2-CZ 3.95Å; V503-F505 HydrophobicContact CG1-CD2 4.02Å; V503-F505 HydrophobicContact CG1-CE2 3.63Å; F505-L513 HydrophobicContact CB-CD1 4.07Å; F505-L513 HydrophobicContact CD1-CD1 3.71Å; F505-L513 HydrophobicContact CD1-CD2 4.14Å; F505-L513 HydrophobicContact CE1-CD2 4.13Å; F505-L513 HydrophobicContact CG-CD1 4.18Å; F505-V515 HydrophobicContact CD1-CG2 4.19Å; F505-V515 HydrophobicContact CD2-CG1 3.93Å; F505-V515 HydrophobicContact CD2-CG2 4.21Å; F505-V515 HydrophobicContact CE1-CG2 4.18Å; F505-V515 HydrophobicContact CE2-CG1 3.68Å; F505-V515 HydrophobicContact CE2-CG2 4.18Å; F505-V515 HydrophobicContact CG-CG2 4.2Å; F505-V515 HydrophobicContact CZ-CG1 4.27Å; F505-V515 HydrophobicContact CZ-CG2 4.16Å
506	E	93.3	Very high	88.2	Confident	82 Å²	82	35.5 Å²	35.5	38%	0.383	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	119.5	176.4	-178.2	166.8	166.7	0	0	108.3	T449 K450 H514	T449-E506 CarbonylContact O-C 3.56Å; T449-E506 WeakPolarHBondContact O-CA 3.37Å; K450-E506 WeakPolarHBondContact CE-OE2 3.27Å; K450-E506 HydrophobicContact CG-CB 4.41Å; K450-E506 IonicContact NZ-OE2 3.85Å; K450-E506 PolarHBondContact NZ-OE2 3.47Å; E506-H514 HydrophobicContact CB-CB 4.32Å; E506-H514 PolarHBondContact N-O 3.31Å; E506-H514 PolarHBondContact O-N 3.04Å
507	I	89.4	Confident	88.3	Confident	2 Å²	2	27.3 Å²	27.3	1%	0.01	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	123.4	174.3	-51.2	176.4	0	0	0	107.3	N424 L428 I441 V447 P448 T449 I512 L513	N424-I507 HydrophobicContact CB-CD1 3.78Å; L428-I507 HydrophobicContact CD1-CD1 3.49Å; L428-I507 VanDerWaalsContact CD1-CD1 3.49Å; L428-I507 HydrophobicContact CD1-CG1 3.89Å; I441-I507 HydrophobicContact CD1-CD1 3.85Å; I441-I507 HydrophobicContact CD1-CG1 3.87Å; I441-I507 HydrophobicContact CG2-CD1 3.99Å; V447-I507 HydrophobicContact CB-CG2 4.33Å; V447-I507 HydrophobicContact CG1-CB 4.05Å; V447-I507 HydrophobicContact CG1-CD1 4.26Å; V447-I507 HydrophobicContact CG1-CG2 3.64Å; P448-I507 WeakPolarHBondContact CA-O 3.45Å; P448-I507 WeakPolarHBondContact CB-O 3.44Å; T449-I507 HydrophobicContact CG2-CB 4.16Å; T449-I507 HydrophobicContact CG2-CD1 3.99Å; T449-I507 HydrophobicContact CG2-CG1 4.17Å; T449-I507 PolarHBondContact N-O 3.14Å; T449-I507 PolarHBondContact O-N 3.45Å; I507-I512 WeakPolarHBondContact CA-O 3.38Å; I507-L513 HydrophobicContact CG1-CD1 4.19Å
508	D	88.6	Confident	88.7	Confident	34 Å²	34	26.9 Å²	26.9	18%	0.182	15%	0.149	C	C	.	.			trans	-76.5	-177.3	178.6	87.9	-15.5	0	0	0	112	N510 G511 I512	D508-N510 PolarHBondContact O-N 3.48Å; D508-N510 VanDerWaalsContact OD1-CA 3.3Å; D508-N510 WeakPolarHBondContact OD1-CA 3.31Å; D508-N510 VanDerWaalsContact OD1-CB 3.31Å; D508-N510 WeakPolarHBondContact OD1-CB 3.46Å; D508-N510 PolarHBondContact OD1-N 2.85Å; D508-N510 PolarHBondContact OD2-ND2 3.46Å; D508-G511 PolarHBondContact O-N 2.67Å; D508-G511 PolarHBondContact OD1-N 3.37Å; D508-I512 PolarHBondContact N-O 2.97Å; D508-I512 PolarHBondContact OD1-N 3.43Å
509	V	87.8	Confident	88.7	Confident	59 Å²	59	23.2 Å²	23.2	36%	0.358	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-8.5	-178.8	82.4	0	0	0	0	114.2	R201	R201-V509 VanDerWaalsContact CZ-CG1 3.46Å
510	N	80.7	Confident	88.8	Confident	18 Å²	18	27.8 Å²	27.8	10%	0.096	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-3	173.3	-58.1	-65.9	0	0	0	111.9	R201 I202 D508 I512	R201-N510 WeakPolarHBondContact CA-OD1 3.22Å; R201-N510 WeakPolarHBondContact CD-OD1 3.41Å; I202-N510 HydrophobicContact CB-CB 4.28Å; I202-N510 PolarHBondContact N-OD1 3.18Å; D508-N510 PolarHBondContact O-N 3.48Å; D508-N510 VanDerWaalsContact OD1-CA 3.3Å; D508-N510 WeakPolarHBondContact OD1-CA 3.31Å; D508-N510 VanDerWaalsContact OD1-CB 3.31Å; D508-N510 WeakPolarHBondContact OD1-CB 3.46Å; D508-N510 PolarHBondContact OD1-N 2.85Å; D508-N510 PolarHBondContact OD2-ND2 3.46Å; N510-I512 HydrophobicContact CB-CD1 3.99Å; N510-I512 HydrophobicContact CB-CG1 4.08Å
511	G	82.4	Confident	88.6	Confident	22 Å²	22	27.1 Å²	27.1	23%	0.227	16%	0.161	C	C	.	.	S	Bend	trans	80.2	17.8	-174	0	0	0	0	0	113.9	D508	D508-G511 PolarHBondContact O-N 2.67Å; D508-G511 PolarHBondContact OD1-N 3.37Å
512	I	81.2	Confident	88.5	Confident	5 Å²	5	30.4 Å²	30.4	3%	0.026	18%	0.181	C	C	.	.			trans	-90.5	136.3	-179.3	-61.3	171.4	0	0	0	109.9	D182 K189 I507 D508 N510	D182-I512 WeakPolarHBondContact OD1-CA 3.46Å; K189-I512 HydrophobicContact CD-CD1 4.08Å; I507-I512 WeakPolarHBondContact CA-O 3.38Å; D508-I512 PolarHBondContact N-O 2.97Å; D508-I512 PolarHBondContact OD1-N 3.43Å; N510-I512 HydrophobicContact CB-CD1 3.99Å; N510-I512 HydrophobicContact CB-CG1 4.08Å
513	L	85.7	Confident	88.1	Confident	3 Å²	3	32 Å²	32	2%	0.016	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	125.4	-175.1	177.8	63.3	0	0	0	113.6	D182 L428 V469 L483 F505 I507 V515 I530	D182-L513 PolarHBondContact OD1-N 3.25Å; L428-L513 HydrophobicContact CD1-CD1 3.87Å; L428-L513 HydrophobicContact CD1-CD2 4.01Å; L428-L513 HydrophobicContact CD1-CG 4.36Å; L428-L513 HydrophobicContact CD2-CD2 4.31Å; V469-L513 HydrophobicContact CG1-CD2 3.86Å; L483-L513 HydrophobicContact CD1-CD2 3.82Å; F505-L513 HydrophobicContact CB-CD1 4.07Å; F505-L513 HydrophobicContact CD1-CD1 3.71Å; F505-L513 HydrophobicContact CD1-CD2 4.14Å; F505-L513 HydrophobicContact CE1-CD2 4.13Å; F505-L513 HydrophobicContact CG-CD1 4.18Å; I507-L513 HydrophobicContact CG1-CD1 4.19Å; L513-V515 HydrophobicContact CD1-CG2 3.86Å; L513-V515 HydrophobicContact CD2-CG2 3.75Å; L513-V515 HydrophobicContact CG-CG2 3.65Å; L513-I530 HydrophobicContact CD2-CD1 3.96Å; L513-I530 PolarHBondContact O-N 2.63Å
514	H	88	Confident	87.7	Confident	56 Å²	56	35 Å²	35	26%	0.259	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	125.9	167.4	-57	-85	0	0	0	110	E506 T529	E506-H514 HydrophobicContact CB-CB 4.32Å; E506-H514 PolarHBondContact N-O 3.31Å; E506-H514 PolarHBondContact O-N 3.04Å; H514-T529 WeakPolarHBondContact ND1-CG2 3.35Å; H514-T529 PolarHBondContact ND1-OG1 2.88Å; H514-T529 VanDerWaalsContact ND1-OG1 3.07Å
515	V	89.6	Confident	87.2	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	115.2	-179.7	-173.4	0	0	0	0	111.5	V469 F486 V503 T504 F505 L513 I528 I530	V469-V515 HydrophobicContact CG1-CG2 4.38Å; V469-V515 HydrophobicContact CG2-CG1 4.26Å; V469-V515 HydrophobicContact CG2-CG2 4.31Å; F486-V515 HydrophobicContact CE1-CB 4.35Å; F486-V515 HydrophobicContact CE1-CG1 3.88Å; F486-V515 HydrophobicContact CZ-CB 4.44Å; F486-V515 HydrophobicContact CZ-CG1 3.77Å; V503-V515 HydrophobicContact CG1-CG1 3.8Å; T504-V515 CarbonylContact O-C 3.57Å; T504-V515 VanDerWaalsContact O-CA 3.31Å; T504-V515 WeakPolarHBondContact O-CA 3.39Å; F505-V515 HydrophobicContact CD1-CG2 4.19Å; F505-V515 HydrophobicContact CD2-CG1 3.93Å; F505-V515 HydrophobicContact CD2-CG2 4.21Å; F505-V515 HydrophobicContact CE1-CG2 4.18Å; F505-V515 HydrophobicContact CE2-CG1 3.68Å; F505-V515 HydrophobicContact CE2-CG2 4.18Å; F505-V515 HydrophobicContact CG-CG2 4.2Å; F505-V515 HydrophobicContact CZ-CG1 4.27Å; F505-V515 HydrophobicContact CZ-CG2 4.16Å; L513-V515 HydrophobicContact CD1-CG2 3.86Å; L513-V515 HydrophobicContact CD2-CG2 3.75Å; L513-V515 HydrophobicContact CG-CG2 3.65Å; V515-I528 CarbonylContact C-O 3.45Å; V515-I528 VanDerWaalsContact C-O 3.31Å; V515-I528 WeakPolarHBondContact CA-O 3.3Å; V515-I528 HydrophobicContact CB-CG2 3.91Å; V515-I528 PolarHBondContact N-O 3.25Å; V515-I528 CarbonylContact O-C 3.55Å; V515-I528 PolarHBondContact O-N 2.63Å; V515-I530 HydrophobicContact CB-CD1 4.23Å; V515-I530 HydrophobicContact CB-CG1 4.21Å; V515-I530 HydrophobicContact CG2-CD1 3.58Å; V515-I530 HydrophobicContact CG2-CG1 3.84Å
516	T	90.5	Very high	86.3	Confident	43 Å²	43	43.8 Å²	43.8	26%	0.264	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	138.8	176.8	65.4	0	0	0	0	110.6	V503 T504 E527	V503-T516 CarbonylContact C-O 3.56Å; V503-T516 WeakPolarHBondContact CA-O 3.34Å; T504-T516 WeakPolarHBondContact CB-OG1 3.32Å; T504-T516 PolarHBondContact N-O 2.88Å; T504-T516 PolarHBondContact O-N 3.09Å; T516-E527 HydrophobicContact CG2-CB 3.64Å; T516-E527 WeakPolarHBondContact CG2-OE2 3.47Å
517	A	89.3	Confident	85.3	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.008	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	129.7	172.2	0	0	0	0	0	110.6	I467 F486 L488 S502 V503 K525 N526	I467-A517 HydrophobicContact CD1-CB 3.2Å; F486-A517 HydrophobicContact CE2-CB 3.57Å; F486-A517 HydrophobicContact CZ-CB 3.97Å; L488-A517 HydrophobicContact CD2-CB 4.3Å; S502-A517 WeakPolarHBondContact O-CA 3.44Å; V503-A517 HydrophobicContact CG2-CB 4.4Å; A517-K525 WeakPolarHBondContact O-CA 3.42Å; A517-N526 CarbonylContact C-O 3.56Å; A517-N526 WeakPolarHBondContact CA-O 3.2Å; A517-N526 PolarHBondContact N-O 3.14Å; A517-N526 PolarHBondContact O-N 3.47Å
518	E	90.9	Very high	84	Confident	38 Å²	38	47 Å²	47	18%	0.178	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	125.4	-178	179.3	179.3	-168	0	0	109.9	I501 S502 K520 N524 K525	I501-E518 CarbonylContact C-O 3.44Å; I501-E518 WeakPolarHBondContact CA-O 3.36Å; S502-E518 PolarHBondContact N-O 3.37Å; S502-E518 PolarHBondContact O-N 3.07Å; E518-K520 HydrophobicContact CG-CD 4.27Å; E518-K520 PolarHBondContact O-N 2.76Å; E518-K520 IonicContact OE1-NZ 2.9Å; E518-K520 IonicContact OE2-NZ 2.7Å; E518-K520 PolarHBondContact OE2-NZ 3.41Å; E518-N524 WeakPolarHBondContact CA-O 3.27Å; E518-K525 HydrophobicContact CB-CG 3.81Å; E518-K525 HydrophobicContact CG-CD 4.31Å; E518-K525 HydrophobicContact CG-CG 3.65Å; E518-K525 WeakPolarHBondContact OE1-CE 3.38Å; E518-K525 IonicContact OE1-NZ 2.55Å; E518-K525 WeakPolarHBondContact OE2-CE 3.18Å; E518-K525 IonicContact OE2-NZ 2.86Å
519	D	90.2	Very high	82.5	Confident	5 Å²	5	48 Å²	48	3%	0.027	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	109.2	161.5	173.2	13.3	0	0	0	108.8	L488 I501 G521 T522 G523 N524	L488-D519 HydrophobicContact CD2-CB 4.34Å; I501-D519 HydrophobicContact CD1-CB 3.87Å; D519-G521 PolarHBondContact O-N 3.44Å; D519-G521 PolarHBondContact OD1-N 3.17Å; D519-T522 WeakPolarHBondContact CB-OG1 3.27Å; D519-T522 VanDerWaalsContact CG-OG1 3.25Å; D519-T522 PolarHBondContact O-N 2.86Å; D519-T522 VanDerWaalsContact OD2-CG2 3.27Å; D519-T522 WeakPolarHBondContact OD2-CG2 3.36Å; D519-T522 PolarHBondContact OD2-OG1 3.44Å; D519-G523 WeakPolarHBondContact O-CA 3.48Å; D519-G523 PolarHBondContact O-N 3.46Å; D519-N524 PolarHBondContact N-O 3.37Å
520	K	89.9	Confident	80.9	Confident	108 Å²	108	45.3 Å²	45.3	47%	0.47	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-18.9	-179.1	-68.2	-62.8	-170.9	-168.3	0	113.5	Q500 S502 E518	Q500-K520 HydrophobicContact CB-CB 4.08Å; Q500-K520 PolarHBondContact O-N 2.92Å; S502-K520 VanDerWaalsContact CB-CE 3.49Å; E518-K520 HydrophobicContact CG-CD 4.27Å; E518-K520 PolarHBondContact O-N 2.76Å; E518-K520 IonicContact OE1-NZ 2.9Å; E518-K520 IonicContact OE2-NZ 2.7Å; E518-K520 PolarHBondContact OE2-NZ 3.41Å
521	G	84.4	Confident	79.3	Confident	70 Å²	70	46.1 Å²	46.1	72%	0.722	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-41.8	178.4	0	0	0	0	0	113.2	D519	D519-G521 PolarHBondContact O-N 3.44Å; D519-G521 PolarHBondContact OD1-N 3.17Å
522	T	86.2	Confident	77.6	Confident	70 Å²	70	45.9 Å²	45.9	43%	0.429	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-18.7	-178	55.6	0	0	0	0	113.4	P492 D519 N524	P492-T522 HydrophobicContact CG-CG2 3.34Å; D519-T522 WeakPolarHBondContact CB-OG1 3.27Å; D519-T522 VanDerWaalsContact CG-OG1 3.25Å; D519-T522 PolarHBondContact O-N 2.86Å; D519-T522 VanDerWaalsContact OD2-CG2 3.27Å; D519-T522 WeakPolarHBondContact OD2-CG2 3.36Å; D519-T522 PolarHBondContact OD2-OG1 3.44Å; T522-N524 PolarHBondContact O-N 2.98Å; T522-N524 WeakPolarHBondContact OG1-CB 3.46Å; T522-N524 PolarHBondContact OG1-N 2.92Å; T522-N524 VanDerWaalsContact OG1-N 3.13Å
523	G	84.2	Confident	76.1	Confident	41 Å²	41	51.9 Å²	51.9	42%	0.423	29%	0.292	S	S	.	.			trans	70.7	5	-165.8	0	0	0	0	0	113	D519 K525	D519-G523 WeakPolarHBondContact O-CA 3.48Å; D519-G523 PolarHBondContact O-N 3.46Å; G523-K525 PolarHBondContact O-N 2.9Å
524	N	82.6	Confident	74.6	Confident	64 Å²	64	58.4 Å²	58.4	34%	0.342	32%	0.322	S	S	.	.			trans	-65.5	128.1	176.8	-170.3	23.2	0	0	0	109.1	T489 E518 D519 T522	T489-N524 PolarHBondContact O-ND2 3.14Å; E518-N524 WeakPolarHBondContact CA-O 3.27Å; D519-N524 PolarHBondContact N-O 3.37Å; T522-N524 PolarHBondContact O-N 2.98Å; T522-N524 WeakPolarHBondContact OG1-CB 3.46Å; T522-N524 PolarHBondContact OG1-N 2.92Å; T522-N524 VanDerWaalsContact OG1-N 3.13Å
525	K	82.5	Confident	73.2	Confident	134 Å²	134	56.4 Å²	56.4	58%	0.583	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.2	133.7	-178.2	-72.5	175.4	178.5	177	0	108.1	A517 E518 G523	A517-K525 WeakPolarHBondContact O-CA 3.42Å; E518-K525 HydrophobicContact CB-CG 3.81Å; E518-K525 HydrophobicContact CG-CD 4.31Å; E518-K525 HydrophobicContact CG-CG 3.65Å; E518-K525 WeakPolarHBondContact OE1-CE 3.38Å; E518-K525 IonicContact OE1-NZ 2.55Å; E518-K525 WeakPolarHBondContact OE2-CE 3.18Å; E518-K525 IonicContact OE2-NZ 2.86Å; G523-K525 PolarHBondContact O-N 2.9Å
526	N	74.8	Confident	72.1	Confident	64 Å²	64	60 Å²	60	34%	0.342	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	130.7	158.7	-154.9	-0.3	0	0	0	107	D487 L488 A517	D487-N526 PolarHBondContact O-ND2 3.29Å; L488-N526 HydrophobicContact CD1-CB 3.7Å; A517-N526 CarbonylContact C-O 3.56Å; A517-N526 WeakPolarHBondContact CA-O 3.2Å; A517-N526 PolarHBondContact N-O 3.14Å; A517-N526 PolarHBondContact O-N 3.47Å
527	E	72	Confident	71	Confident	132 Å²	132	58.4 Å²	58.4	62%	0.617	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.4	143.3	176.4	56.3	-175.9	-163.1	0	0	108.9	T516	T516-E527 HydrophobicContact CG2-CB 3.64Å; T516-E527 WeakPolarHBondContact CG2-OE2 3.47Å
528	I	63.2	Low	70.4	Confident	21 Å²	21	60.3 Å²	60.3	11%	0.108	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	115.7	158.8	-166.7	158.3	0	0	0	103.6	F486 V515 I530	F486-I528 HydrophobicContact CB-CB 4.05Å; F486-I528 HydrophobicContact CB-CD1 3.84Å; F486-I528 HydrophobicContact CB-CG2 4.33Å; F486-I528 HydrophobicContact CD1-CB 3.8Å; F486-I528 HydrophobicContact CD1-CD1 4.25Å; F486-I528 HydrophobicContact CD1-CG2 3.12Å; F486-I528 HydrophobicContact CD2-CB 4.26Å; F486-I528 HydrophobicContact CD2-CG2 4.17Å; F486-I528 HydrophobicContact CE1-CB 4.26Å; F486-I528 HydrophobicContact CE1-CG2 3.2Å; F486-I528 HydrophobicContact CE2-CG2 4.22Å; F486-I528 HydrophobicContact CG-CB 3.79Å; F486-I528 HydrophobicContact CG-CD1 4.33Å; F486-I528 HydrophobicContact CG-CG2 3.63Å; F486-I528 HydrophobicContact CZ-CG2 3.78Å; V515-I528 CarbonylContact C-O 3.45Å; V515-I528 VanDerWaalsContact C-O 3.31Å; V515-I528 WeakPolarHBondContact CA-O 3.3Å; V515-I528 HydrophobicContact CB-CG2 3.91Å; V515-I528 PolarHBondContact N-O 3.25Å; V515-I528 CarbonylContact O-C 3.55Å; V515-I528 PolarHBondContact O-N 2.63Å; I528-I530 HydrophobicContact CG1-CG1 4.32Å; I528-I530 HydrophobicContact CG2-CD1 4.29Å; I528-I530 HydrophobicContact CG2-CG1 3.61Å; I528-I530 PolarHBondContact O-N 2.82Å
529	T	56.9	Low	69.9	Low	53 Å²	53	62.7 Å²	62.7	33%	0.325	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	125.6	143.4	-67.4	0	0	0	0	103	H514 T531	H514-T529 WeakPolarHBondContact ND1-CG2 3.35Å; H514-T529 PolarHBondContact ND1-OG1 2.88Å; H514-T529 VanDerWaalsContact ND1-OG1 3.07Å; T529-T531 HydrophobicContact CG2-CG2 3.7Å; T529-T531 PolarHBondContact O-N 3.21Å; T529-T531 PolarHBondContact O-OG1 3.09Å; T529-T531 VanDerWaalsContact O-OG1 3.09Å
530	I	53.8	Low	69.6	Low	3 Å²	3	68.8 Å²	68.8	2%	0.015	38%	0.377	C	S	.	.			trans	-72.3	64.3	174.3	-58.3	-167.5	0	0	0	107.6	V469 L483 L513 V515 I528 N532	V469-I530 HydrophobicContact CB-CD1 3.31Å; V469-I530 HydrophobicContact CG1-CD1 3.39Å; V469-I530 HydrophobicContact CG2-CD1 3.55Å; L483-I530 HydrophobicContact CB-CD1 4.35Å; L483-I530 HydrophobicContact CB-CG2 3.92Å; L483-I530 WeakPolarHBondContact O-CG2 3.33Å; L513-I530 HydrophobicContact CD2-CD1 3.96Å; L513-I530 PolarHBondContact O-N 2.63Å; V515-I530 HydrophobicContact CB-CD1 4.23Å; V515-I530 HydrophobicContact CB-CG1 4.21Å; V515-I530 HydrophobicContact CG2-CD1 3.58Å; V515-I530 HydrophobicContact CG2-CG1 3.84Å; I528-I530 HydrophobicContact CG1-CG1 4.32Å; I528-I530 HydrophobicContact CG2-CD1 4.29Å; I528-I530 HydrophobicContact CG2-CG1 3.61Å; I528-I530 PolarHBondContact O-N 2.82Å; I530-N532 VanDerWaalsContact C-N 3.27Å; I530-N532 PolarHBondContact O-N 2.75Å
531	T	47.6	Very low	69.2	Low	36 Å²	36	65.8 Å²	65.8	22%	0.221	37%	0.366	C	S	.	.			trans	-67.8	97.6	141.4	54.5	0	0	0	0	103.4	T529 D533 R536	T529-T531 HydrophobicContact CG2-CG2 3.7Å; T529-T531 PolarHBondContact O-N 3.21Å; T529-T531 PolarHBondContact O-OG1 3.09Å; T529-T531 VanDerWaalsContact O-OG1 3.09Å; T531-D533 VanDerWaalsContact C-N 3.27Å; T531-D533 PolarHBondContact O-N 3.31Å; T531-R536 VanDerWaalsContact CG2-NH1 3.3Å
532	N	45.9	Very low	68.9	Low	17 Å²	17	63.1 Å²	63.1	9%	0.091	34%	0.335	C	S	.	.			trans	-57.3	95.6	172.6	-164.8	-14.4	0	0	0	107.1	L483 I530 H534 N535 R536	L483-N532 WeakPolarHBondContact O-CB 3.31Å; L483-N532 PolarHBondContact O-ND2 2.77Å; L483-N532 PolarHBondContact O-OD1 2.79Å; I530-N532 VanDerWaalsContact C-N 3.27Å; I530-N532 PolarHBondContact O-N 2.75Å; N532-H534 PolarHBondContact O-N 2.86Å; N532-N535 HydrophobicContact CB-CB 3.99Å; N532-N535 PolarHBondContact ND2-ND2 3.48Å; N532-N535 CarbonylContact O-C 3.58Å; N532-N535 PolarHBondContact O-N 2.76Å; N532-R536 WeakPolarHBondContact O-CB 3.41Å; N532-R536 PolarHBondContact O-N 2.99Å
533	D	49.7	Very low	68.7	Low	130 Å²	130	64.3 Å²	64.3	70%	0.695	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-24	-173.1	-78.1	-13.4	0	0	0	111.5	T531	T531-D533 VanDerWaalsContact C-N 3.27Å; T531-D533 PolarHBondContact O-N 3.31Å
534	H	55	Low	68.8	Low	140 Å²	140	68.2 Å²	68.2	65%	0.648	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-30	173.8	-62.1	-50.2	0	0	0	113.1	K130 N532	K130-H534 WeakPolarHBondContact CE-O 3.34Å; N532-H534 PolarHBondContact O-N 2.86Å
535	N	58.5	Low	69	Low	15 Å²	15	65.4 Å²	65.4	8%	0.08	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-4	-176.8	-73.5	-23.3	0	0	0	116.7	E107 K130 N532	E107-N535 VanDerWaalsContact CG-ND2 3.32Å; E107-N535 WeakPolarHBondContact CG-ND2 3.4Å; E107-N535 WeakPolarHBondContact CG-OD1 3.13Å; E107-N535 PolarHBondContact OE1-ND2 3Å; K130-N535 WeakPolarHBondContact CE-O 3.45Å; K130-N535 PolarHBondContact NZ-O 2.8Å; N532-N535 HydrophobicContact CB-CB 3.99Å; N532-N535 PolarHBondContact ND2-ND2 3.48Å; N532-N535 CarbonylContact O-C 3.58Å; N532-N535 PolarHBondContact O-N 2.76Å
536	R	65.6	Low	69	Low	74 Å²	74	60.8 Å²	60.8	28%	0.279	31%	0.308	S	S	.	.	S	Bend	trans	-96.8	157.7	175.2	-155.3	-174.9	166.5	151.4	-3.3	112.3	K130 Q186 D190 T531 N532	K130-R536 PolarHBondContact NZ-O 3.38Å; Q186-R536 VanDerWaalsContact CD-NH1 3.28Å; Q186-R536 HydrophobicContact CG-CG 4.04Å; D190-R536 IonicContact OD1-CZ 3.56Å; D190-R536 IonicContact OD1-NE 3.75Å; D190-R536 IonicContact OD1-NH2 3.46Å; D190-R536 PolarHBondContact OD1-NH2 2.92Å; D190-R536 WeakPolarHBondContact OD2-CG 3.46Å; D190-R536 IonicContact OD2-NE 3.44Å; D190-R536 PolarHBondContact OD2-NE 3.21Å; T531-R536 VanDerWaalsContact CG2-NH1 3.3Å; N532-R536 WeakPolarHBondContact O-CB 3.41Å; N532-R536 PolarHBondContact O-N 2.99Å
537	L	68.3	Low	69.5	Low	10 Å²	10	62.4 Å²	62.4	5%	0.052	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-74.6	133.6	161.5	-64	169.7	0	0	0	108.4	E147 I194 D541 I542 M545	E147-L537 HydrophobicContact CB-CD1 3.93Å; E147-L537 HydrophobicContact CG-CD1 3.97Å; I194-L537 HydrophobicContact CD1-CD1 3.98Å; L537-D541 HydrophobicContact CB-CB 4.2Å; L537-D541 HydrophobicContact CD2-CB 4.23Å; L537-I542 HydrophobicContact CB-CD1 4.22Å; L537-I542 HydrophobicContact CB-CG1 3.66Å; L537-I542 HydrophobicContact CD1-CG1 4.31Å; L537-M545 HydrophobicContact CD1-CE 4.1Å; L537-M545 HydrophobicContact CD1-SD 3.46Å; L537-M545 WeakPolarHBondContact CD1-SD 3.48Å; L537-M545 HydrophobicContact CD2-CE 3.46Å; L537-M545 VanDerWaalsContact CD2-CE 3.46Å; L537-M545 HydrophobicContact CD2-SD 3.93Å; L537-M545 HydrophobicContact CG-CE 4.41Å; L537-M545 HydrophobicContact CG-SD 4.28Å
538	S	77.4	Confident	70	Confident	41 Å²	41	59.2 Å²	59.2	29%	0.287	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-64.6	155	171.3	63.3	0	0	0	0	110	E540 D541 I542	S538-E540 WeakPolarHBondContact CB-OE2 3.13Å; S538-E540 PolarHBondContact O-N 2.86Å; S538-D541 PolarHBondContact N-OD2 2.95Å; S538-D541 WeakPolarHBondContact O-CB 3.39Å; S538-D541 PolarHBondContact O-N 2.77Å; S538-D541 WeakPolarHBondContact OG-CB 3.47Å; S538-D541 PolarHBondContact OG-N 2.83Å; S538-D541 PolarHBondContact OG-OD2 2.77Å; S538-I542 WeakPolarHBondContact O-CG1 3.2Å; S538-I542 PolarHBondContact O-N 3.29Å
539	P	79.9	Confident	70.7	Confident	88 Å²	88	59.2 Å²	59.2	57%	0.571	31%	0.307	S	S	*	.	H	α-helix	trans	-50.7	-38.2	171.3	-27.1	36	0	0	0	112.3	I542 D543	P539-I542 PolarHBondContact O-N 2.96Å; P539-D543 WeakPolarHBondContact O-CB 3.5Å; P539-D543 PolarHBondContact O-N 2.86Å
540	E	82.8	Confident	72	Confident	134 Å²	134	62.6 Å²	62.6	63%	0.626	32%	0.319	S	S	*	.	H	α-helix	trans	-66.5	-37.8	176.6	-61.9	76.7	-167.6	0	0	112.9	S538 R544	S538-E540 WeakPolarHBondContact CB-OE2 3.13Å; S538-E540 PolarHBondContact O-N 2.86Å; E540-R544 WeakPolarHBondContact O-CB 3.36Å; E540-R544 PolarHBondContact O-N 2.74Å
541	D	81.6	Confident	73.6	Confident	44 Å²	44	67.8 Å²	67.8	24%	0.235	34%	0.341	C	S	.	.	H	α-helix	trans	-66.7	-43.4	172.8	-68.9	-48.2	0	0	0	111.3	L537 S538 R544 M545	L537-D541 HydrophobicContact CB-CB 4.2Å; L537-D541 HydrophobicContact CD2-CB 4.23Å; S538-D541 PolarHBondContact N-OD2 2.95Å; S538-D541 WeakPolarHBondContact O-CB 3.39Å; S538-D541 PolarHBondContact O-N 2.77Å; S538-D541 WeakPolarHBondContact OG-CB 3.47Å; S538-D541 PolarHBondContact OG-N 2.83Å; S538-D541 PolarHBondContact OG-OD2 2.77Å; D541-R544 PolarHBondContact O-N 2.92Å; D541-R544 IonicContact OD1-CZ 2.77Å; D541-R544 IonicContact OD1-NH1 2.67Å; D541-R544 PolarHBondContact OD1-NH1 2.83Å; D541-R544 IonicContact OD1-NH2 3.45Å; D541-R544 PolarHBondContact OD1-NH2 2.88Å; D541-M545 WeakPolarHBondContact O-CB 3.44Å; D541-M545 WeakPolarHBondContact O-CG 3.08Å; D541-M545 PolarHBondContact O-N 3.47Å
542	I	77.9	Confident	75.2	Confident	14 Å²	14	66.4 Å²	66.4	7%	0.072	33%	0.332	C	S	.	.	H	α-helix	trans	-61	-47.3	177.3	-66.7	173.8	0	0	0	109.9	D190 T193 I194 L537 S538 P539 R544 M545 I546	D190-I542 HydrophobicContact CB-CD1 4.3Å; T193-I542 HydrophobicContact CG2-CG2 4.04Å; I194-I542 HydrophobicContact CG1-CG2 4.43Å; L537-I542 HydrophobicContact CB-CD1 4.22Å; L537-I542 HydrophobicContact CB-CG1 3.66Å; L537-I542 HydrophobicContact CD1-CG1 4.31Å; S538-I542 WeakPolarHBondContact O-CG1 3.2Å; S538-I542 PolarHBondContact O-N 3.29Å; P539-I542 PolarHBondContact O-N 2.96Å; I542-R544 VanDerWaalsContact C-N 3.32Å; I542-R544 PolarHBondContact O-N 3.18Å; I542-M545 CarbonylContact O-C 2.92Å; I542-M545 PolarHBondContact O-N 2.8Å; I542-M545 VanDerWaalsContact O-N 3.15Å; I542-I546 HydrophobicContact CG2-CD1 3.75Å; I542-I546 HydrophobicContact CG2-CG1 4.26Å; I542-I546 VanDerWaalsContact O-CG1 3.28Å; I542-I546 WeakPolarHBondContact O-CG1 3.31Å; I542-I546 PolarHBondContact O-N 2.98Å
543	D	81.9	Confident	76.9	Confident	96 Å²	96	67.4 Å²	67.4	51%	0.513	34%	0.343	S	S	.	.	H	α-helix	trans	-60.8	-41.4	177.8	-76	-16.4	0	0	0	111.5	P539 I546 N547	P539-D543 WeakPolarHBondContact O-CB 3.5Å; P539-D543 PolarHBondContact O-N 2.86Å; D543-I546 PolarHBondContact O-N 3.43Å; D543-N547 PolarHBondContact O-N 2.99Å; D543-N547 PolarHBondContact O-ND2 3.15Å
544	R	87.9	Confident	78.6	Confident	122 Å²	122	65.3 Å²	65.3	46%	0.46	33%	0.329	S	S	.	.	H	α-helix	trans	-60.9	-46.4	173.4	-175.8	-177.7	65.9	-115.7	-3.2	111.4	E540 D541 I542 I546 N547 D548	E540-R544 WeakPolarHBondContact O-CB 3.36Å; E540-R544 PolarHBondContact O-N 2.74Å; D541-R544 PolarHBondContact O-N 2.92Å; D541-R544 IonicContact OD1-CZ 2.77Å; D541-R544 IonicContact OD1-NH1 2.67Å; D541-R544 PolarHBondContact OD1-NH1 2.83Å; D541-R544 IonicContact OD1-NH2 3.45Å; D541-R544 PolarHBondContact OD1-NH2 2.88Å; I542-R544 VanDerWaalsContact C-N 3.32Å; I542-R544 PolarHBondContact O-N 3.18Å; R544-I546 PolarHBondContact O-N 3.3Å; R544-N547 WeakPolarHBondContact O-CB 3.28Å; R544-N547 PolarHBondContact O-N 3.46Å; R544-D548 PolarHBondContact O-N 2.54Å
545	M	85.5	Confident	79.9	Confident	6 Å²	6	61.9 Å²	61.9	3%	0.03	31%	0.313	C	S	.	.	H	α-helix	trans	-66.1	-35.3	179.7	-70.1	174.1	174.5	0	0	112.7	E148 I194 L537 D541 I542 D548 A549	E148-M545 HydrophobicContact CG-CB 4.15Å; E148-M545 HydrophobicContact CG-CE 3.97Å; E148-M545 HydrophobicContact CG-CG 3.73Å; E148-M545 HydrophobicContact CG-SD 3.58Å; E148-M545 VanDerWaalsContact CG-SD 3.58Å; I194-M545 HydrophobicContact CD1-CB 4.02Å; I194-M545 HydrophobicContact CD1-SD 3.74Å; I194-M545 HydrophobicContact CG1-CB 4.02Å; I194-M545 HydrophobicContact CG2-CB 4.17Å; L537-M545 HydrophobicContact CD1-CE 4.1Å; L537-M545 HydrophobicContact CD1-SD 3.46Å; L537-M545 WeakPolarHBondContact CD1-SD 3.48Å; L537-M545 HydrophobicContact CD2-CE 3.46Å; L537-M545 VanDerWaalsContact CD2-CE 3.46Å; L537-M545 HydrophobicContact CD2-SD 3.93Å; L537-M545 HydrophobicContact CG-CE 4.41Å; L537-M545 HydrophobicContact CG-SD 4.28Å; D541-M545 WeakPolarHBondContact O-CB 3.44Å; D541-M545 WeakPolarHBondContact O-CG 3.08Å; D541-M545 PolarHBondContact O-N 3.47Å; I542-M545 CarbonylContact O-C 2.92Å; I542-M545 PolarHBondContact O-N 2.8Å; I542-M545 VanDerWaalsContact O-N 3.15Å; M545-D548 PolarHBondContact O-N 3.11Å; M545-A549 VanDerWaalsContact O-CB 3.31Å; M545-A549 WeakPolarHBondContact O-CB 3.39Å; M545-A549 PolarHBondContact O-N 2.94Å
546	I	82.6	Confident	81	Confident	37 Å²	37	62.8 Å²	62.8	19%	0.19	32%	0.318	C	S	.	.	H	α-helix	trans	-61.2	-48.7	171.4	-70.8	165.5	0	0	0	109.7	T193 I542 D543 R544 D548 A549 E550	T193-I546 HydrophobicContact CG2-CD1 4.31Å; I542-I546 HydrophobicContact CG2-CD1 3.75Å; I542-I546 HydrophobicContact CG2-CG1 4.26Å; I542-I546 VanDerWaalsContact O-CG1 3.28Å; I542-I546 WeakPolarHBondContact O-CG1 3.31Å; I542-I546 PolarHBondContact O-N 2.98Å; D543-I546 PolarHBondContact O-N 3.43Å; R544-I546 PolarHBondContact O-N 3.3Å; I546-D548 VanDerWaalsContact C-N 3.31Å; I546-D548 PolarHBondContact O-N 2.85Å; I546-A549 WeakPolarHBondContact O-CB 3.49Å; I546-A549 PolarHBondContact O-N 3.15Å; I546-A549 VanDerWaalsContact O-N 3.16Å; I546-E550 HydrophobicContact CG2-CG 4.45Å; I546-E550 WeakPolarHBondContact O-CG 3.21Å; I546-E550 PolarHBondContact O-N 3Å
547	N	85.9	Confident	81.9	Confident	97 Å²	97	64.2 Å²	64.2	52%	0.519	33%	0.326	S	S	.	.	H	α-helix	trans	-60.7	-40.1	178.1	-71.5	-57.2	0	0	0	112.1	D543 R544 E550 K551	D543-N547 PolarHBondContact O-N 2.99Å; D543-N547 PolarHBondContact O-ND2 3.15Å; R544-N547 WeakPolarHBondContact O-CB 3.28Å; R544-N547 PolarHBondContact O-N 3.46Å; N547-E550 PolarHBondContact O-N 3.44Å; N547-K551 PolarHBondContact O-N 2.8Å
548	D	81.6	Confident	82.8	Confident	65 Å²	65	69.2 Å²	69.2	35%	0.348	35%	0.348	S	S	.	.	H	α-helix	trans	-66	-41.7	175	-75.3	-26.7	0	0	0	111.5	R544 M545 I546 K551 F552	R544-D548 PolarHBondContact O-N 2.54Å; M545-D548 PolarHBondContact O-N 3.11Å; I546-D548 VanDerWaalsContact C-N 3.31Å; I546-D548 PolarHBondContact O-N 2.85Å; D548-K551 WeakPolarHBondContact O-CB 2.89Å; D548-K551 PolarHBondContact O-N 2.94Å; D548-F552 WeakPolarHBondContact O-CD2 3.17Å; D548-F552 PolarHBondContact O-N 3.41Å
549	A	78.3	Confident	83	Confident	22 Å²	22	68.9 Å²	68.9	18%	0.182	34%	0.344	C	S	.	.	H	α-helix	trans	-62.4	-41	175.1	0	0	0	0	0	112.2	I194 M545 I546 F552 A553	I194-A549 HydrophobicContact CG2-CB 4.12Å; M545-A549 VanDerWaalsContact O-CB 3.31Å; M545-A549 WeakPolarHBondContact O-CB 3.39Å; M545-A549 PolarHBondContact O-N 2.94Å; I546-A549 WeakPolarHBondContact O-CB 3.49Å; I546-A549 PolarHBondContact O-N 3.15Å; I546-A549 VanDerWaalsContact O-N 3.16Å; A549-F552 PolarHBondContact O-N 3.27Å; A549-A553 WeakPolarHBondContact O-CB 3.46Å; A549-A553 PolarHBondContact O-N 3.32Å
550	E	84.4	Confident	83.2	Confident	124 Å²	124	70.9 Å²	70.9	58%	0.579	34%	0.343	S	S	*	.	H	α-helix	trans	-64.6	-40.1	174.2	-73.5	-175.5	166.9	0	0	112	I546 N547 A553 E554	I546-E550 HydrophobicContact CG2-CG 4.45Å; I546-E550 WeakPolarHBondContact O-CG 3.21Å; I546-E550 PolarHBondContact O-N 3Å; N547-E550 PolarHBondContact O-N 3.44Å; E550-A553 PolarHBondContact O-N 3Å; E550-E554 PolarHBondContact O-N 3.36Å
551	K	86.9	Confident	83.4	Confident	111 Å²	111	67.9 Å²	67.9	48%	0.483	33%	0.33	S	S	.	.	H	α-helix	trans	-60.2	-47.5	174.2	179.3	-178.7	172.5	179.8	0	111.6	N547 D548 A553 E554 E555	N547-K551 PolarHBondContact O-N 2.8Å; D548-K551 WeakPolarHBondContact O-CB 2.89Å; D548-K551 PolarHBondContact O-N 2.94Å; K551-A553 VanDerWaalsContact C-N 3.33Å; K551-A553 PolarHBondContact O-N 3.35Å; K551-E554 PolarHBondContact O-N 2.79Å; K551-E555 WeakPolarHBondContact CE-OE1 3.48Å; K551-E555 WeakPolarHBondContact O-CG 3.18Å; K551-E555 PolarHBondContact O-N 2.98Å
552	F	82.3	Confident	83.8	Confident	7 Å²	7	68.6 Å²	68.6	3%	0.031	33%	0.329	C	S	.	.	H	α-helix	trans	-64.5	-37.6	176.2	-73.8	-65.7	0	0	0	112	F73 V137 K142 F144 D548 A549 E554 E555 D556	F73-F552 HydrophobicContact CE1-CE1 4.29Å; F73-F552 HydrophobicContact CE1-CZ 4.45Å; V137-F552 HydrophobicContact CG1-CE1 4.32Å; K142-F552 HydrophobicContact CD-CZ 4.28Å; F144-F552 AromaticContact CE1-CE2 3.84Å; F144-F552 HydrophobicContact CE1-CE2 3.84Å; F144-F552 HydrophobicContact CE1-CZ 4.16Å; F144-F552 AromaticContact CZ-CE2 3.92Å; F144-F552 HydrophobicContact CZ-CE2 3.92Å; F144-F552 AromaticContact CZ-CZ 3.75Å; F144-F552 HydrophobicContact CZ-CZ 3.75Å; D548-F552 WeakPolarHBondContact O-CD2 3.17Å; D548-F552 PolarHBondContact O-N 3.41Å; A549-F552 PolarHBondContact O-N 3.27Å; F552-E554 VanDerWaalsContact C-N 3.29Å; F552-E554 PolarHBondContact O-N 3.1Å; F552-E555 PolarHBondContact O-N 3.04Å; F552-D556 WeakPolarHBondContact O-CB 3.3Å; F552-D556 PolarHBondContact O-N 3.4Å
553	A	81	Confident	84.1	Confident	39 Å²	39	70.7 Å²	70.7	32%	0.322	34%	0.342	S	S	.	.	H	α-helix	trans	-61.8	-37.1	175.5	0	0	0	0	0	112.3	A549 E550 K551 K557	A549-A553 WeakPolarHBondContact O-CB 3.46Å; A549-A553 PolarHBondContact O-N 3.32Å; E550-A553 PolarHBondContact O-N 3Å; K551-A553 VanDerWaalsContact C-N 3.33Å; K551-A553 PolarHBondContact O-N 3.35Å; A553-K557 WeakPolarHBondContact O-CB 3.38Å; A553-K557 PolarHBondContact O-N 3.46Å
554	E	85.5	Confident	84.3	Confident	85 Å²	85	70.5 Å²	70.5	40%	0.397	34%	0.338	S	S	.	.	H	α-helix	trans	-70.4	-35.4	174	-178.5	59.5	-155.9	0	0	112.4	E550 K551 F552 K558	E550-E554 PolarHBondContact O-N 3.36Å; K551-E554 PolarHBondContact O-N 2.79Å; F552-E554 VanDerWaalsContact C-N 3.29Å; F552-E554 PolarHBondContact O-N 3.1Å; E554-K558 WeakPolarHBondContact O-CG 3.32Å; E554-K558 PolarHBondContact O-N 2.99Å; E554-K558 VanDerWaalsContact O-N 3.1Å; E554-K558 WeakPolarHBondContact OE1-CE 3.44Å
555	E	83.1	Confident	84.4	Confident	68 Å²	68	65.2 Å²	65.2	32%	0.318	32%	0.32	S	S	.	.	H	α-helix	trans	-64.3	-46.4	171.5	-71.2	171.9	-174.9	0	0	111.3	K551 F552 K557 K558 V559	K551-E555 WeakPolarHBondContact CE-OE1 3.48Å; K551-E555 WeakPolarHBondContact O-CG 3.18Å; K551-E555 PolarHBondContact O-N 2.98Å; F552-E555 PolarHBondContact O-N 3.04Å; E555-K557 VanDerWaalsContact C-N 3.31Å; E555-K557 PolarHBondContact O-N 3.35Å; E555-K558 WeakPolarHBondContact O-CB 3.48Å; E555-K558 PolarHBondContact O-N 3.23Å; E555-K558 VanDerWaalsContact O-N 3.14Å; E555-V559 WeakPolarHBondContact O-CG2 3.23Å; E555-V559 PolarHBondContact O-N 3.11Å
556	D	80	Confident	84.6	Confident	35 Å²	35	68 Å²	68	19%	0.187	33%	0.33	C	S	.	.	H	α-helix	trans	-61.1	-40.1	176.6	-66.1	-16.9	0	0	0	111.2	R79 F552 K558 V559 K560	R79-D556 IonicContact CZ-OD2 2.63Å; R79-D556 IonicContact NE-OD2 2.77Å; R79-D556 PolarHBondContact NE-OD2 3.4Å; R79-D556 IonicContact NH2-OD2 3.9Å; R79-D556 PolarHBondContact NH2-OD2 3.15Å; F552-D556 WeakPolarHBondContact O-CB 3.3Å; F552-D556 PolarHBondContact O-N 3.4Å; D556-K558 PolarHBondContact O-N 3.09Å; D556-V559 PolarHBondContact O-N 2.79Å; D556-K560 WeakPolarHBondContact O-CB 3.46Å; D556-K560 PolarHBondContact O-N 3.41Å
557	K	85.7	Confident	84.9	Confident	104 Å²	104	69.9 Å²	69.9	45%	0.452	34%	0.341	S	S	.	.	H	α-helix	trans	-61	-43	174.1	-176.8	-176.1	169.4	-159.4	0	112	A553 E555 K560 E561	A553-K557 WeakPolarHBondContact O-CB 3.38Å; A553-K557 PolarHBondContact O-N 3.46Å; E555-K557 VanDerWaalsContact C-N 3.31Å; E555-K557 PolarHBondContact O-N 3.35Å; K557-K560 WeakPolarHBondContact O-CB 3.38Å; K557-K560 PolarHBondContact O-N 3.44Å; K557-E561 WeakPolarHBondContact CE-OE1 3.42Å; K557-E561 IonicContact NZ-OE1 2.71Å; K557-E561 WeakPolarHBondContact O-CG 3.49Å; K557-E561 PolarHBondContact O-N 3.36Å
558	K	86.4	Confident	85	Confident	114 Å²	114	69.8 Å²	69.8	50%	0.496	34%	0.337	S	S	.	.	H	α-helix	trans	-63.8	-40.5	175.8	-71.6	168.2	-175	168.9	0	112	E554 E555 D556 K560 E561 R562	E554-K558 WeakPolarHBondContact O-CG 3.32Å; E554-K558 PolarHBondContact O-N 2.99Å; E554-K558 VanDerWaalsContact O-N 3.1Å; E554-K558 WeakPolarHBondContact OE1-CE 3.44Å; E555-K558 WeakPolarHBondContact O-CB 3.48Å; E555-K558 PolarHBondContact O-N 3.23Å; E555-K558 VanDerWaalsContact O-N 3.14Å; D556-K558 PolarHBondContact O-N 3.09Å; K558-K560 VanDerWaalsContact C-N 3.34Å; K558-E561 PolarHBondContact O-N 3.04Å; K558-R562 VanDerWaalsContact O-CB 3.32Å; K558-R562 WeakPolarHBondContact O-CB 3.37Å; K558-R562 PolarHBondContact O-N 3.49Å
559	V	82.5	Confident	85.5	Confident	35 Å²	35	66.7 Å²	66.7	21%	0.212	32%	0.321	C	S	.	.	H	α-helix	trans	-61.8	-44.9	174.3	174.7	0	0	0	0	110.3	E555 D556 R562 V563	E555-V559 WeakPolarHBondContact O-CG2 3.23Å; E555-V559 PolarHBondContact O-N 3.11Å; D556-V559 PolarHBondContact O-N 2.79Å; V559-R562 WeakPolarHBondContact O-CB 3.45Å; V559-R562 PolarHBondContact O-N 3.27Å; V559-V563 WeakPolarHBondContact O-CG2 3.44Å; V559-V563 PolarHBondContact O-N 3.45Å
560	K	82.8	Confident	86	Confident	129 Å²	129	68.4 Å²	68.4	56%	0.561	33%	0.325	S	S	*	.	H	α-helix	trans	-59.1	-51.3	175.7	-178.2	178.2	174.6	178.5	0	112.2	D556 K557 K558 R562 V563 E564	D556-K560 WeakPolarHBondContact O-CB 3.46Å; D556-K560 PolarHBondContact O-N 3.41Å; K557-K560 WeakPolarHBondContact O-CB 3.38Å; K557-K560 PolarHBondContact O-N 3.44Å; K558-K560 VanDerWaalsContact C-N 3.34Å; K560-R562 VanDerWaalsContact C-N 3.26Å; K560-R562 PolarHBondContact O-N 3Å; K560-V563 PolarHBondContact O-N 2.96Å; K560-V563 VanDerWaalsContact O-N 3.16Å; K560-E564 WeakPolarHBondContact CE-OE1 3.46Å; K560-E564 HydrophobicContact CG-CG 4.4Å; K560-E564 IonicContact NZ-OE1 2.68Å; K560-E564 WeakPolarHBondContact O-CB 3.48Å; K560-E564 WeakPolarHBondContact O-CG 3.46Å; K560-E564 PolarHBondContact O-N 2.88Å
561	E	88.3	Confident	86.3	Confident	72 Å²	72	66.2 Å²	66.2	34%	0.336	32%	0.323	S	S	.	.	H	α-helix	trans	-58.8	-37.4	178.1	-73.9	176.6	-176.5	0	0	112.2	K557 K558 S565 T617	K557-E561 WeakPolarHBondContact CE-OE1 3.42Å; K557-E561 IonicContact NZ-OE1 2.71Å; K557-E561 WeakPolarHBondContact O-CG 3.49Å; K557-E561 PolarHBondContact O-N 3.36Å; K558-E561 PolarHBondContact O-N 3.04Å; E561-S565 WeakPolarHBondContact O-CB 3.16Å; E561-S565 PolarHBondContact O-N 2.95Å; E561-S565 PolarHBondContact O-OG 3.42Å; E561-T617 HydrophobicContact CB-CG2 4.45Å
562	R	88.7	Confident	86.5	Confident	58 Å²	58	63.1 Å²	63.1	22%	0.219	31%	0.312	C	S	.	.	H	α-helix	trans	-64.4	-47.5	175.5	-177.1	-179.5	68.4	85	-1.8	111.4	K558 V559 K560 S565 R566 Q613 A615 T617 Y620	K558-R562 VanDerWaalsContact O-CB 3.32Å; K558-R562 WeakPolarHBondContact O-CB 3.37Å; K558-R562 PolarHBondContact O-N 3.49Å; V559-R562 WeakPolarHBondContact O-CB 3.45Å; V559-R562 PolarHBondContact O-N 3.27Å; K560-R562 VanDerWaalsContact C-N 3.26Å; K560-R562 PolarHBondContact O-N 3Å; R562-S565 PolarHBondContact O-N 3.17Å; R562-R566 PolarHBondContact O-N 3.39Å; R562-Q613 PolarHBondContact NH1-O 3.44Å; R562-A615 WeakPolarHBondContact CD-O 3.46Å; R562-A615 VanDerWaalsContact CG-O 3.3Å; R562-A615 WeakPolarHBondContact CG-O 3.21Å; R562-T617 WeakPolarHBondContact CA-OG1 3.09Å; R562-T617 WeakPolarHBondContact CB-OG1 3.47Å; R562-T617 PolarHBondContact N-OG1 2.77Å; R562-Y620 HydrophobicContact CG-CD2 4.15Å; R562-Y620 HydrophobicContact CG-CE2 3.84Å; R562-Y620 WeakPolarHBondContact O-CD2 3.38Å
563	V	83.8	Confident	86.9	Confident	58 Å²	58	62.8 Å²	62.8	35%	0.352	31%	0.31	S	S	.	.	H	α-helix	trans	-66	-42.4	178.1	172.6	0	0	0	0	111.4	V559 K560 R566 N567	V559-V563 WeakPolarHBondContact O-CG2 3.44Å; V559-V563 PolarHBondContact O-N 3.45Å; K560-V563 PolarHBondContact O-N 2.96Å; K560-V563 VanDerWaalsContact O-N 3.16Å; V563-R566 WeakPolarHBondContact O-CB 3.3Å; V563-R566 PolarHBondContact O-N 3.43Å; V563-N567 WeakPolarHBondContact O-CB 3.43Å; V563-N567 VanDerWaalsContact O-CG 3.22Å; V563-N567 PolarHBondContact O-N 3.06Å; V563-N567 PolarHBondContact O-ND2 3.29Å
564	E	87.8	Confident	87.3	Confident	92 Å²	92	66.1 Å²	66.1	43%	0.43	32%	0.315	S	S	.	.	H	α-helix	trans	-59.8	-46.8	174.6	-74.7	175.6	169	0	0	111	K560 R566 N567 E568	K560-E564 WeakPolarHBondContact CE-OE1 3.46Å; K560-E564 HydrophobicContact CG-CG 4.4Å; K560-E564 IonicContact NZ-OE1 2.68Å; K560-E564 WeakPolarHBondContact O-CB 3.48Å; K560-E564 WeakPolarHBondContact O-CG 3.46Å; K560-E564 PolarHBondContact O-N 2.88Å; E564-R566 VanDerWaalsContact C-N 3.32Å; E564-R566 PolarHBondContact O-N 3.27Å; E564-N567 PolarHBondContact O-N 3.14Å; E564-N567 VanDerWaalsContact O-N 3.14Å; E564-E568 WeakPolarHBondContact O-CG 3.3Å; E564-E568 PolarHBondContact O-N 3.49Å
565	S	89.4	Confident	87.5	Confident	11 Å²	11	64.7 Å²	64.7	8%	0.077	32%	0.315	C	S	.	.	H	α-helix	trans	-61.6	-38.9	177.7	-60.4	0	0	0	0	112.5	E561 R562 I569 T617	E561-S565 WeakPolarHBondContact O-CB 3.16Å; E561-S565 PolarHBondContact O-N 2.95Å; E561-S565 PolarHBondContact O-OG 3.42Å; R562-S565 PolarHBondContact O-N 3.17Å; S565-I569 WeakPolarHBondContact O-CG2 3.22Å; S565-I569 PolarHBondContact O-N 2.96Å; S565-T617 WeakPolarHBondContact OG-CG2 3.33Å
566	R	90.2	Very high	87.9	Confident	64 Å²	64	62 Å²	62	24%	0.242	30%	0.302	C	S	.	.	H	α-helix	trans	-62.4	-48.1	172.1	-179.2	-171.5	155.5	178.7	-3.3	111.5	R562 V563 E564 E568 I569 E570 L609 Y620	R562-R566 PolarHBondContact O-N 3.39Å; V563-R566 WeakPolarHBondContact O-CB 3.3Å; V563-R566 PolarHBondContact O-N 3.43Å; E564-R566 VanDerWaalsContact C-N 3.32Å; E564-R566 PolarHBondContact O-N 3.27Å; R566-E568 VanDerWaalsContact C-N 3.29Å; R566-E568 PolarHBondContact O-N 2.78Å; R566-I569 WeakPolarHBondContact O-CG2 3.25Å; R566-I569 PolarHBondContact O-N 3.39Å; R566-E570 IonicContact NE-OE2 3.85Å; R566-E570 IonicContact NH2-OE2 3.61Å; R566-E570 WeakPolarHBondContact O-CB 3.45Å; R566-E570 PolarHBondContact O-N 3.06Å; R566-L609 HydrophobicContact CG-CD2 4.17Å; R566-Y620 HydrophobicContact CB-CD1 4.09Å; R566-Y620 HydrophobicContact CB-CD2 3.97Å; R566-Y620 HydrophobicContact CB-CE1 3.9Å; R566-Y620 HydrophobicContact CB-CE2 3.72Å; R566-Y620 HydrophobicContact CB-CG 4.16Å; R566-Y620 HydrophobicContact CG-CD1 4.35Å; R566-Y620 HydrophobicContact CG-CE1 3.83Å; R566-Y620 HydrophobicContact CG-CE2 4.34Å
567	N	87.4	Confident	88.4	Confident	78 Å²	78	64.3 Å²	64.3	42%	0.417	31%	0.311	S	S	.	.	H	α-helix	trans	-64.6	-35.4	-178.7	-71.2	-15.4	0	0	0	111.7	V563 E564 S571	V563-N567 WeakPolarHBondContact O-CB 3.43Å; V563-N567 VanDerWaalsContact O-CG 3.22Å; V563-N567 PolarHBondContact O-N 3.06Å; V563-N567 PolarHBondContact O-ND2 3.29Å; E564-N567 PolarHBondContact O-N 3.14Å; E564-N567 VanDerWaalsContact O-N 3.14Å; N567-S571 WeakPolarHBondContact O-CB 3.47Å; N567-S571 PolarHBondContact O-N 2.77Å; N567-S571 PolarHBondContact O-OG 3.47Å
568	E	89.8	Confident	88.6	Confident	94 Å²	94	63.3 Å²	63.3	44%	0.439	32%	0.317	S	S	.	.	H	α-helix	trans	-61.6	-49.9	175	-77.5	-176.2	-170.6	0	0	112.1	E564 R566 L572 K624	E564-E568 WeakPolarHBondContact O-CG 3.3Å; E564-E568 PolarHBondContact O-N 3.49Å; R566-E568 VanDerWaalsContact C-N 3.29Å; R566-E568 PolarHBondContact O-N 2.78Å; E568-L572 VanDerWaalsContact O-CB 3.25Å; E568-L572 WeakPolarHBondContact O-CB 3.47Å; E568-L572 PolarHBondContact O-N 3.26Å; E568-K624 IonicContact OE2-NZ 2.68Å; E568-K624 PolarHBondContact OE2-NZ 2.61Å
569	I	91.4	Very high	88.7	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-67.2	-41.1	178	-175.4	178.6	0	0	0	111.3	S565 R566 L572 V573 L609 Y620 Q623 K624	S565-I569 WeakPolarHBondContact O-CG2 3.22Å; S565-I569 PolarHBondContact O-N 2.96Å; R566-I569 WeakPolarHBondContact O-CG2 3.25Å; R566-I569 PolarHBondContact O-N 3.39Å; I569-L572 PolarHBondContact O-N 3.04Å; I569-V573 HydrophobicContact CG1-CG2 4.05Å; I569-V573 WeakPolarHBondContact O-CB 3.49Å; I569-V573 VanDerWaalsContact O-CG2 3.23Å; I569-V573 WeakPolarHBondContact O-CG2 3.49Å; I569-V573 PolarHBondContact O-N 3.42Å; I569-L609 HydrophobicContact CG1-CD1 4.39Å; I569-L609 HydrophobicContact CG2-CD1 4.22Å; I569-L609 HydrophobicContact CG2-CD2 3.6Å; I569-L609 HydrophobicContact CG2-CG 4.44Å; I569-Y620 HydrophobicContact CG2-CD1 4.23Å; I569-Q623 HydrophobicContact CD1-CB 3.38Å; I569-K624 HydrophobicContact CB-CB 4.2Å; I569-K624 HydrophobicContact CD1-CB 4.46Å; I569-K624 HydrophobicContact CG1-CB 4.35Å
570	E	88.9	Confident	89.1	Confident	59 Å²	59	60.1 Å²	60.1	28%	0.276	30%	0.301	S	S	.	.	H	α-helix	trans	-60.2	-49.2	177.4	-173.4	166.3	-175	0	0	110.5	R566 L572 V573 Y574 L609	R566-E570 IonicContact NE-OE2 3.85Å; R566-E570 IonicContact NH2-OE2 3.61Å; R566-E570 WeakPolarHBondContact O-CB 3.45Å; R566-E570 PolarHBondContact O-N 3.06Å; E570-L572 PolarHBondContact O-N 3.19Å; E570-V573 PolarHBondContact O-N 3.17Å; E570-Y574 HydrophobicContact CG-CD2 3.8Å; E570-Y574 HydrophobicContact CG-CE2 3.83Å; E570-Y574 VanDerWaalsContact O-CD2 3.28Å; E570-Y574 WeakPolarHBondContact O-CD2 3.45Å; E570-Y574 PolarHBondContact O-N 2.77Å; E570-L609 HydrophobicContact CB-CD1 4.13Å
571	S	90.5	Very high	89.3	Confident	77 Å²	77	58 Å²	58	54%	0.538	30%	0.296	S	S	.	.	H	α-helix	trans	-60.7	-42.8	176.2	-61.2	0	0	0	0	112.2	N567 S575	N567-S571 WeakPolarHBondContact O-CB 3.47Å; N567-S571 PolarHBondContact O-N 2.77Å; N567-S571 PolarHBondContact O-OG 3.47Å; S571-S575 WeakPolarHBondContact O-CB 3.49Å; S571-S575 PolarHBondContact O-N 3.38Å
572	L	90.3	Very high	89.2	Confident	46 Å²	46	56.7 Å²	56.7	24%	0.241	29%	0.291	C	S	.	.	H	α-helix	trans	-59.7	-50.8	176.4	174.5	63.6	0	0	0	110.9	E568 I569 E570 S575 L576 K624 V627 E628	E568-L572 VanDerWaalsContact O-CB 3.25Å; E568-L572 WeakPolarHBondContact O-CB 3.47Å; E568-L572 PolarHBondContact O-N 3.26Å; I569-L572 PolarHBondContact O-N 3.04Å; E570-L572 PolarHBondContact O-N 3.19Å; L572-S575 PolarHBondContact O-N 3.17Å; L572-L576 HydrophobicContact CD1-CD1 3.93Å; L572-L576 HydrophobicContact CD1-CG 4.11Å; L572-L576 HydrophobicContact CG-CD1 4.01Å; L572-L576 WeakPolarHBondContact O-CB 3.25Å; L572-L576 VanDerWaalsContact O-CG 3.26Å; L572-L576 WeakPolarHBondContact O-CG 3.37Å; L572-L576 PolarHBondContact O-N 2.96Å; L572-K624 HydrophobicContact CD2-CG 3.97Å; L572-V627 HydrophobicContact CD2-CB 4.23Å; L572-V627 HydrophobicContact CD2-CG1 3.94Å; L572-V627 HydrophobicContact CG-CG1 4.29Å; L572-E628 HydrophobicContact CD2-CG 4.23Å
573	V	91.6	Very high	88.9	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-65.4	-42.7	-175.9	172.5	0	0	0	0	111.3	I569 E570 K577 I602 K605 I606 V627	I569-V573 HydrophobicContact CG1-CG2 4.05Å; I569-V573 WeakPolarHBondContact O-CB 3.49Å; I569-V573 VanDerWaalsContact O-CG2 3.23Å; I569-V573 WeakPolarHBondContact O-CG2 3.49Å; I569-V573 PolarHBondContact O-N 3.42Å; E570-V573 PolarHBondContact O-N 3.17Å; V573-K577 WeakPolarHBondContact O-CB 3.42Å; V573-K577 PolarHBondContact O-N 2.96Å; V573-I602 HydrophobicContact CG1-CB 4.25Å; V573-I602 HydrophobicContact CG1-CG1 4.35Å; V573-I602 HydrophobicContact CG1-CG2 3.82Å; V573-K605 HydrophobicContact CG2-CB 4.01Å; V573-I606 HydrophobicContact CG1-CD1 4.03Å; V573-I606 HydrophobicContact CG1-CG1 3.54Å; V573-V627 HydrophobicContact CG2-CG2 4.08Å
574	Y	90.1	Very high	88.9	Confident	110 Å²	110	68.2 Å²	68.2	43%	0.431	34%	0.341	S	S	.	.	H	α-helix	trans	-70.1	-37.5	175.6	-82.7	-75.2	0	0	0	113.1	E570 K577 S578	E570-Y574 HydrophobicContact CG-CD2 3.8Å; E570-Y574 HydrophobicContact CG-CE2 3.83Å; E570-Y574 VanDerWaalsContact O-CD2 3.28Å; E570-Y574 WeakPolarHBondContact O-CD2 3.45Å; E570-Y574 PolarHBondContact O-N 2.77Å; Y574-K577 WeakPolarHBondContact O-CB 3.49Å; Y574-K577 PolarHBondContact O-N 3.16Å; Y574-S578 PolarHBondContact O-N 2.96Å
575	S	89.8	Confident	88.8	Confident	55 Å²	55	70.3 Å²	70.3	39%	0.385	35%	0.349	S	S	.	.	H	α-helix	trans	-61.3	-47.9	173.2	179.4	0	0	0	0	111	S571 L572 K577 S578 Q579	S571-S575 WeakPolarHBondContact O-CB 3.49Å; S571-S575 PolarHBondContact O-N 3.38Å; L572-S575 PolarHBondContact O-N 3.17Å; S575-K577 VanDerWaalsContact C-N 3.33Å; S575-K577 PolarHBondContact O-N 3.2Å; S575-S578 WeakPolarHBondContact O-CB 3.49Å; S575-S578 PolarHBondContact O-N 2.91Å; S575-S578 VanDerWaalsContact O-N 3.13Å; S575-Q579 WeakPolarHBondContact O-CG 3.41Å; S575-Q579 PolarHBondContact O-N 3.04Å; S575-Q579 PolarHBondContact OG-NE2 2.88Å
576	L	90.9	Very high	88.5	Confident	10 Å²	10	70.8 Å²	70.8	5%	0.052	35%	0.35	C	S	.	.	H	α-helix	trans	-59.5	-43.8	174.8	-73	172.9	0	0	0	111.5	L572 S578 Q579 I580 I602 V627 V631 I635	L572-L576 HydrophobicContact CD1-CD1 3.93Å; L572-L576 HydrophobicContact CD1-CG 4.11Å; L572-L576 HydrophobicContact CG-CD1 4.01Å; L572-L576 WeakPolarHBondContact O-CB 3.25Å; L572-L576 VanDerWaalsContact O-CG 3.26Å; L572-L576 WeakPolarHBondContact O-CG 3.37Å; L572-L576 PolarHBondContact O-N 2.96Å; L576-S578 VanDerWaalsContact C-N 3.27Å; L576-S578 PolarHBondContact O-N 2.88Å; L576-Q579 PolarHBondContact O-N 3.16Å; L576-Q579 VanDerWaalsContact O-N 3.16Å; L576-I580 WeakPolarHBondContact O-CG1 3.33Å; L576-I580 WeakPolarHBondContact O-CG2 3.44Å; L576-I580 PolarHBondContact O-N 3.2Å; L576-I602 HydrophobicContact CB-CD1 3.92Å; L576-I602 HydrophobicContact CB-CG1 4.36Å; L576-V627 HydrophobicContact CD1-CG1 3.48Å; L576-V627 VanDerWaalsContact CD1-CG1 3.48Å; L576-V631 HydrophobicContact CD1-CG1 4.24Å; L576-V631 HydrophobicContact CD1-CG2 4.01Å; L576-V631 HydrophobicContact CD2-CG1 3.75Å; L576-I635 HydrophobicContact CD2-CD1 4.43Å
577	K	90.7	Very high	88.2	Confident	85 Å²	85	68.4 Å²	68.4	37%	0.37	35%	0.345	S	S	.	.	H	α-helix	trans	-57.8	-39	175.6	-170.3	175.8	-177.1	175.9	0	112.1	V573 Y574 S575 I580 N581 I602 I606	V573-K577 WeakPolarHBondContact O-CB 3.42Å; V573-K577 PolarHBondContact O-N 2.96Å; Y574-K577 WeakPolarHBondContact O-CB 3.49Å; Y574-K577 PolarHBondContact O-N 3.16Å; S575-K577 VanDerWaalsContact C-N 3.33Å; S575-K577 PolarHBondContact O-N 3.2Å; K577-I580 WeakPolarHBondContact O-CG1 3.37Å; K577-N581 WeakPolarHBondContact O-CB 3.37Å; K577-N581 PolarHBondContact O-ND2 2.78Å; K577-I602 HydrophobicContact CB-CD1 4.21Å; K577-I602 HydrophobicContact CB-CG2 4.02Å; K577-I602 HydrophobicContact CD-CG2 4.15Å; K577-I602 HydrophobicContact CG-CG2 4.21Å; K577-I606 HydrophobicContact CD-CD1 4.14Å
578	S	89.6	Confident	88.1	Confident	82 Å²	82	67.8 Å²	67.8	57%	0.573	35%	0.351	S	S	*	.	H	α-helix	trans	-67.3	-49.2	173.6	-175.5	0	0	0	0	111.4	Y574 S575 L576 I580 N581 D582	Y574-S578 PolarHBondContact O-N 2.96Å; S575-S578 WeakPolarHBondContact O-CB 3.49Å; S575-S578 PolarHBondContact O-N 2.91Å; S575-S578 VanDerWaalsContact O-N 3.13Å; L576-S578 VanDerWaalsContact C-N 3.27Å; L576-S578 PolarHBondContact O-N 2.88Å; S578-I580 PolarHBondContact O-N 2.88Å; S578-N581 PolarHBondContact O-N 3.28Å; S578-N581 VanDerWaalsContact O-N 3.11Å; S578-D582 PolarHBondContact O-N 3.45Å
579	Q	89.2	Confident	88	Confident	80 Å²	80	69.8 Å²	69.8	37%	0.374	36%	0.358	S	S	.	.	H	α-helix	trans	-60.5	-41.5	-176.9	-69.8	176.2	6.8	0	0	113.4	S575 L576 N581 D582 L586 G587	S575-Q579 WeakPolarHBondContact O-CG 3.41Å; S575-Q579 PolarHBondContact O-N 3.04Å; S575-Q579 PolarHBondContact OG-NE2 2.88Å; L576-Q579 PolarHBondContact O-N 3.16Å; L576-Q579 VanDerWaalsContact O-N 3.16Å; Q579-N581 VanDerWaalsContact C-N 3.28Å; Q579-N581 PolarHBondContact O-N 2.96Å; Q579-D582 PolarHBondContact O-N 3.46Å; Q579-L586 HydrophobicContact CB-CB 4.39Å; Q579-L586 HydrophobicContact CB-CD2 3.89Å; Q579-G587 PolarHBondContact O-N 2.97Å
580	I	89.5	Confident	87.8	Confident	3 Å²	3	70.5 Å²	70.5	2%	0.015	36%	0.362	C	S	.	.	H	α-helix	trans	-73.5	-20.5	178.9	66	169.1	0	0	0	113.6	L576 K577 S578 L586 G587 L590 K595 I598 E599 I602	L576-I580 WeakPolarHBondContact O-CG1 3.33Å; L576-I580 WeakPolarHBondContact O-CG2 3.44Å; L576-I580 PolarHBondContact O-N 3.2Å; K577-I580 WeakPolarHBondContact O-CG1 3.37Å; S578-I580 PolarHBondContact O-N 2.88Å; I580-L586 HydrophobicContact CG2-CD2 4.33Å; I580-G587 VanDerWaalsContact O-CA 3.25Å; I580-G587 WeakPolarHBondContact O-CA 3.49Å; I580-L590 HydrophobicContact CB-CD1 4.26Å; I580-L590 HydrophobicContact CG2-CD1 3.8Å; I580-K595 WeakPolarHBondContact O-CE 3Å; I580-K595 PolarHBondContact O-NZ 3.27Å; I580-I598 HydrophobicContact CD1-CG2 4.28Å; I580-I598 HydrophobicContact CG2-CB 4.31Å; I580-I598 HydrophobicContact CG2-CD1 4.27Å; I580-I598 HydrophobicContact CG2-CG2 3.7Å; I580-E599 HydrophobicContact CD1-CB 4.49Å; I580-E599 HydrophobicContact CD1-CG 3.43Å; I580-E599 VanDerWaalsContact CD1-CG 3.43Å; I580-I602 HydrophobicContact CD1-CD1 3.65Å; I580-I602 HydrophobicContact CG1-CD1 4.4Å
581	N	87.3	Confident	87.8	Confident	83 Å²	83	70.3 Å²	70.3	44%	0.444	37%	0.368	S	S	.	.	H	α-helix	trans	-91.4	-14.8	177.5	-76.8	-42.3	0	0	0	112.6	K577 S578 Q579 K583	K577-N581 WeakPolarHBondContact O-CB 3.37Å; K577-N581 PolarHBondContact O-ND2 2.78Å; S578-N581 PolarHBondContact O-N 3.28Å; S578-N581 VanDerWaalsContact O-N 3.11Å; Q579-N581 VanDerWaalsContact C-N 3.28Å; Q579-N581 PolarHBondContact O-N 2.96Å; N581-K583 PolarHBondContact O-N 2.8Å
582	D	86.2	Confident	87.7	Confident	45 Å²	45	71.1 Å²	71.1	24%	0.241	37%	0.373	C	S	.	.			trans	-67.9	100.5	169.9	-170.9	-27.3	0	0	0	109.9	S578 Q579 E584 K585 G587	S578-D582 PolarHBondContact O-N 3.45Å; Q579-D582 PolarHBondContact O-N 3.46Å; D582-E584 PolarHBondContact O-N 2.81Å; D582-E584 WeakPolarHBondContact OD1-CB 3.38Å; D582-E584 PolarHBondContact OD1-N 3.35Å; D582-K585 HydrophobicContact CB-CB 4.36Å; D582-K585 PolarHBondContact O-N 2.89Å; D582-K585 PolarHBondContact OD1-N 2.82Å; D582-K585 WeakPolarHBondContact OD2-CD 3.17Å; D582-K585 WeakPolarHBondContact OD2-CE 3.41Å; D582-K585 WeakPolarHBondContact OD2-CG 3.38Å; D582-K585 IonicContact OD2-NZ 3.46Å; D582-K585 PolarHBondContact OD2-NZ 2.88Å; D582-G587 VanDerWaalsContact O-CA 3.26Å; D582-G587 WeakPolarHBondContact O-CA 3.33Å; D582-G587 PolarHBondContact O-N 2.87Å; D582-G587 VanDerWaalsContact O-N 3.09Å
583	K	83.6	Confident	87.7	Confident	183 Å²	183	74.3 Å²	74.3	80%	0.796	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-2.5	-179.7	-65.4	-174.9	-178.5	178.1	0	113.8	N581 A588	N581-K583 PolarHBondContact O-N 2.8Å; K583-A588 WeakPolarHBondContact O-CB 3.31Å
584	E	83.6	Confident	87.7	Confident	176 Å²	176	76.5 Å²	76.5	82%	0.822	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	-18	177.4	-60.9	-177.5	173.8	0	0	111.9	D582	D582-E584 PolarHBondContact O-N 2.81Å; D582-E584 WeakPolarHBondContact OD1-CB 3.38Å; D582-E584 PolarHBondContact OD1-N 3.35Å
585	K	85.5	Confident	87.7	Confident	135 Å²	135	73.7 Å²	73.7	59%	0.587	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.9	-114	-174.9	-60.3	-176.3	-164.9	152.3	0	112.9	D582 G587 A588 K589	D582-K585 HydrophobicContact CB-CB 4.36Å; D582-K585 PolarHBondContact O-N 2.89Å; D582-K585 PolarHBondContact OD1-N 2.82Å; D582-K585 WeakPolarHBondContact OD2-CD 3.17Å; D582-K585 WeakPolarHBondContact OD2-CE 3.41Å; D582-K585 WeakPolarHBondContact OD2-CG 3.38Å; D582-K585 IonicContact OD2-NZ 3.46Å; D582-K585 PolarHBondContact OD2-NZ 2.88Å; K585-G587 VanDerWaalsContact C-N 3.34Å; K585-G587 PolarHBondContact O-N 2.73Å; K585-A588 PolarHBondContact O-N 2.76Å; K585-K589 WeakPolarHBondContact O-CG 3.31Å
586	L	83.2	Confident	87.8	Confident	22 Å²	22	74.4 Å²	74.4	12%	0.115	40%	0.396	C	S	.	.	H	α-helix	trans	-66.2	-40.3	-173.1	-177.8	66.9	0	0	0	110.6	Q579 I580 A588 K589 L590 I635 L638	Q579-L586 HydrophobicContact CB-CB 4.39Å; Q579-L586 HydrophobicContact CB-CD2 3.89Å; I580-L586 HydrophobicContact CG2-CD2 4.33Å; L586-A588 PolarHBondContact O-N 3.43Å; L586-K589 PolarHBondContact O-N 3.17Å; L586-L590 HydrophobicContact CD1-CD1 4.5Å; L586-L590 HydrophobicContact CD1-CG 4.37Å; L586-L590 HydrophobicContact CD2-CD1 4.43Å; L586-L590 HydrophobicContact CG-CD1 3.9Å; L586-L590 HydrophobicContact CG-CG 4.27Å; L586-L590 WeakPolarHBondContact O-CG 3.21Å; L586-L590 PolarHBondContact O-N 2.76Å; L586-I635 HydrophobicContact CD1-CG1 4.43Å; L586-I635 HydrophobicContact CD2-CD1 4.11Å; L586-I635 HydrophobicContact CD2-CG1 4.44Å; L586-L638 HydrophobicContact CD1-CD1 3.71Å
587	G	82.6	Confident	87.9	Confident	13 Å²	13	80.4 Å²	80.4	13%	0.134	42%	0.421	C	S	.	.	H	α-helix	trans	-57.9	-31.4	176.8	0	0	0	0	0	114.3	Q579 I580 D582 K585	Q579-G587 PolarHBondContact O-N 2.97Å; I580-G587 VanDerWaalsContact O-CA 3.25Å; I580-G587 WeakPolarHBondContact O-CA 3.49Å; D582-G587 VanDerWaalsContact O-CA 3.26Å; D582-G587 WeakPolarHBondContact O-CA 3.33Å; D582-G587 PolarHBondContact O-N 2.87Å; D582-G587 VanDerWaalsContact O-N 3.09Å; K585-G587 VanDerWaalsContact C-N 3.34Å; K585-G587 PolarHBondContact O-N 2.73Å
588	A	85.8	Confident	87.9	Confident	66 Å²	66	76.4 Å²	76.4	55%	0.545	40%	0.404	S	S	.	.	H	α-helix	trans	-75.9	-25.8	175.9	0	0	0	0	0	114	K583 K585 L586	K583-A588 WeakPolarHBondContact O-CB 3.31Å; K585-A588 PolarHBondContact O-N 2.76Å; L586-A588 PolarHBondContact O-N 3.43Å
589	K	87.5	Confident	88.1	Confident	135 Å²	135	75.6 Å²	75.6	59%	0.587	39%	0.391	S	S	*	.	H	α-helix	trans	-92.2	-19.4	-174.3	-63.6	179	-178.3	-177.8	0	112.8	K585 L586 L638	K585-K589 WeakPolarHBondContact O-CG 3.31Å; L586-K589 PolarHBondContact O-N 3.17Å; K589-L638 HydrophobicContact CB-CD2 4.07Å; K589-L638 WeakPolarHBondContact O-CD2 3.42Å
590	L	87.2	Confident	88.4	Confident	16 Å²	16	78.8 Å²	78.8	8%	0.084	40%	0.404	C	S	.	.	S	Bend	trans	-77.7	134.7	179.4	-70.7	164.3	0	0	0	111.2	I580 L586 Q594 K595 I598 I634 L638	I580-L590 HydrophobicContact CB-CD1 4.26Å; I580-L590 HydrophobicContact CG2-CD1 3.8Å; L586-L590 HydrophobicContact CD1-CD1 4.5Å; L586-L590 HydrophobicContact CD1-CG 4.37Å; L586-L590 HydrophobicContact CD2-CD1 4.43Å; L586-L590 HydrophobicContact CG-CD1 3.9Å; L586-L590 HydrophobicContact CG-CG 4.27Å; L586-L590 WeakPolarHBondContact O-CG 3.21Å; L586-L590 PolarHBondContact O-N 2.76Å; L590-Q594 HydrophobicContact CB-CB 4.35Å; L590-Q594 HydrophobicContact CD2-CB 3.77Å; L590-K595 HydrophobicContact CB-CB 4.2Å; L590-I598 HydrophobicContact CD1-CD1 4.01Å; L590-I598 HydrophobicContact CD2-CD1 3.84Å; L590-I634 HydrophobicContact CD2-CG2 3.5Å; L590-L638 HydrophobicContact CD2-CD1 3.58Å; L590-L638 HydrophobicContact CG-CD1 4.09Å
591	S	89.3	Confident	88.6	Confident	55 Å²	55	79.4 Å²	79.4	39%	0.385	41%	0.407	S	S	.	.			trans	-65.4	160.5	165.1	76.6	0	0	0	0	110.9	D593 Q594 K595	S591-D593 PolarHBondContact O-N 2.79Å; S591-Q594 PolarHBondContact O-N 3.46Å; S591-Q594 VanDerWaalsContact O-N 3.15Å; S591-Q594 VanDerWaalsContact OG-CG 3.29Å; S591-Q594 WeakPolarHBondContact OG-CG 3.23Å; S591-Q594 PolarHBondContact OG-N 3.04Å; S591-Q594 PolarHBondContact OG-OE1 3.36Å; S591-K595 WeakPolarHBondContact O-CB 3.32Å; S591-K595 PolarHBondContact O-N 3.41Å
592	S	88.5	Confident	88.9	Confident	93 Å²	93	75.6 Å²	75.6	65%	0.65	39%	0.387	S	S	*	.	H	α-helix	trans	-51.3	-43	175.2	52.7	0	0	0	0	112.3	K595 S596	S592-K595 PolarHBondContact O-N 2.8Å; S592-S596 WeakPolarHBondContact O-CB 3.44Å; S592-S596 PolarHBondContact O-N 3.2Å
593	D	90.7	Very high	89.3	Confident	113 Å²	113	79 Å²	79	60%	0.604	40%	0.401	S	S	*	.	H	α-helix	trans	-71.2	-38.7	-177.7	-64.3	1.2	0	0	0	111.8	S591 K597	S591-D593 PolarHBondContact O-N 2.79Å; D593-K597 VanDerWaalsContact O-CG 3.31Å; D593-K597 WeakPolarHBondContact O-CG 3.3Å; D593-K597 PolarHBondContact O-N 2.81Å; D593-K597 VanDerWaalsContact O-N 3.11Å
594	Q	90.3	Very high	89.9	Confident	47 Å²	47	74.7 Å²	74.7	22%	0.22	38%	0.384	C	S	.	.	H	α-helix	trans	-66.1	-45.8	175.3	-73.8	172.9	-36.1	0	0	110.8	L590 S591 K597 I598 I634	L590-Q594 HydrophobicContact CB-CB 4.35Å; L590-Q594 HydrophobicContact CD2-CB 3.77Å; S591-Q594 PolarHBondContact O-N 3.46Å; S591-Q594 VanDerWaalsContact O-N 3.15Å; S591-Q594 VanDerWaalsContact OG-CG 3.29Å; S591-Q594 WeakPolarHBondContact OG-CG 3.23Å; S591-Q594 PolarHBondContact OG-N 3.04Å; S591-Q594 PolarHBondContact OG-OE1 3.36Å; Q594-K597 PolarHBondContact O-N 3.22Å; Q594-I598 WeakPolarHBondContact O-CG1 3.5Å; Q594-I598 PolarHBondContact O-N 2.85Å; Q594-I598 VanDerWaalsContact O-N 3.14Å; Q594-I634 HydrophobicContact CB-CG2 3.83Å; Q594-I634 HydrophobicContact CG-CG2 3.86Å
595	K	90.5	Very high	90.4	Very high	51 Å²	51	66.4 Å²	66.4	22%	0.222	35%	0.345	C	S	.	.	H	α-helix	trans	-60.5	-49	177.9	-171.8	173.9	180	175.1	0	111.1	I580 L590 S591 S592 K597 I598 E599	I580-K595 WeakPolarHBondContact O-CE 3Å; I580-K595 PolarHBondContact O-NZ 3.27Å; L590-K595 HydrophobicContact CB-CB 4.2Å; S591-K595 WeakPolarHBondContact O-CB 3.32Å; S591-K595 PolarHBondContact O-N 3.41Å; S592-K595 PolarHBondContact O-N 2.8Å; K595-K597 VanDerWaalsContact C-N 3.32Å; K595-K597 PolarHBondContact O-N 3.06Å; K595-I598 PolarHBondContact O-N 2.9Å; K595-I598 VanDerWaalsContact O-N 3.13Å; K595-E599 WeakPolarHBondContact CE-OE1 3.48Å; K595-E599 HydrophobicContact CG-CG 4.38Å; K595-E599 WeakPolarHBondContact O-CG 3.11Å; K595-E599 PolarHBondContact O-N 3.34Å
596	S	92.3	Very high	90.7	Very high	70 Å²	70	60.9 Å²	60.9	49%	0.49	32%	0.322	S	S	.	.	H	α-helix	trans	-60.2	-37.9	178.6	-179	0	0	0	0	113	S592 E599 K600	S592-S596 WeakPolarHBondContact O-CB 3.44Å; S592-S596 PolarHBondContact O-N 3.2Å; S596-E599 PolarHBondContact O-N 2.98Å; S596-K600 WeakPolarHBondContact O-CB 3.42Å; S596-K600 PolarHBondContact O-N 3.35Å
597	K	92.4	Very high	91.3	Very high	135 Å²	135	66.3 Å²	66.3	59%	0.587	34%	0.344	S	S	*	.	H	α-helix	trans	-63.2	-43	174.4	-77.5	176.8	-177.8	-177.7	0	112.5	D593 Q594 K595 I601 I634	D593-K597 VanDerWaalsContact O-CG 3.31Å; D593-K597 WeakPolarHBondContact O-CG 3.3Å; D593-K597 PolarHBondContact O-N 2.81Å; D593-K597 VanDerWaalsContact O-N 3.11Å; Q594-K597 PolarHBondContact O-N 3.22Å; K595-K597 VanDerWaalsContact C-N 3.32Å; K595-K597 PolarHBondContact O-N 3.06Å; K597-I601 PolarHBondContact O-N 3Å; K597-I634 HydrophobicContact CB-CD1 4.25Å
598	I	92.1	Very high	91.9	Very high	1 Å²	1	67.6 Å²	67.6	1%	0.005	35%	0.345	C	S	.	.	H	α-helix	trans	-69.6	-41.6	178.5	-61.2	172.1	0	0	0	110.5	I580 L590 Q594 K595 K600 I601 I602 V631 I634	I580-I598 HydrophobicContact CD1-CG2 4.28Å; I580-I598 HydrophobicContact CG2-CB 4.31Å; I580-I598 HydrophobicContact CG2-CD1 4.27Å; I580-I598 HydrophobicContact CG2-CG2 3.7Å; L590-I598 HydrophobicContact CD1-CD1 4.01Å; L590-I598 HydrophobicContact CD2-CD1 3.84Å; Q594-I598 WeakPolarHBondContact O-CG1 3.5Å; Q594-I598 PolarHBondContact O-N 2.85Å; Q594-I598 VanDerWaalsContact O-N 3.14Å; K595-I598 PolarHBondContact O-N 2.9Å; K595-I598 VanDerWaalsContact O-N 3.13Å; I598-K600 VanDerWaalsContact C-N 3.33Å; I598-K600 PolarHBondContact O-N 3.1Å; I598-I601 WeakPolarHBondContact O-CG2 3.34Å; I598-I601 PolarHBondContact O-N 3.12Å; I598-I602 HydrophobicContact CG2-CD1 3.64Å; I598-I602 HydrophobicContact CG2-CG1 4.27Å; I598-I602 WeakPolarHBondContact O-CB 3.29Å; I598-I602 WeakPolarHBondContact O-CD1 3.35Å; I598-I602 VanDerWaalsContact O-CG1 3.23Å; I598-I602 WeakPolarHBondContact O-CG1 3.24Å; I598-I602 PolarHBondContact O-N 3.36Å; I598-V631 HydrophobicContact CG1-CG2 4.35Å; I598-V631 HydrophobicContact CG2-CG2 4.22Å; I598-I634 HydrophobicContact CD1-CB 4.4Å; I598-I634 HydrophobicContact CD1-CD1 4.19Å; I598-I634 HydrophobicContact CD1-CG2 3.93Å; I598-I634 HydrophobicContact CG1-CD1 3.77Å
599	E	93.4	Very high	92.1	Very high	66 Å²	66	65 Å²	65	31%	0.308	32%	0.322	S	S	.	.	H	α-helix	trans	-59.2	-44.2	176	-73	173.5	156.9	0	0	111.7	I580 K595 S596 I601 I602 E603	I580-E599 HydrophobicContact CD1-CB 4.49Å; I580-E599 HydrophobicContact CD1-CG 3.43Å; I580-E599 VanDerWaalsContact CD1-CG 3.43Å; K595-E599 WeakPolarHBondContact CE-OE1 3.48Å; K595-E599 HydrophobicContact CG-CG 4.38Å; K595-E599 WeakPolarHBondContact O-CG 3.11Å; K595-E599 PolarHBondContact O-N 3.34Å; S596-E599 PolarHBondContact O-N 2.98Å; E599-I601 PolarHBondContact O-N 2.86Å; E599-I602 PolarHBondContact O-N 2.88Å; E599-E603 WeakPolarHBondContact O-CG 3.28Å; E599-E603 PolarHBondContact O-N 2.73Å
600	K	94.9	Very high	92.3	Very high	147 Å²	147	64.6 Å²	64.6	64%	0.639	32%	0.322	S	S	*	.	H	α-helix	trans	-60.7	-46.8	179.4	-173.5	179.8	177.5	-175.6	0	112.4	S596 I598 I602 E603 E604	S596-K600 WeakPolarHBondContact O-CB 3.42Å; S596-K600 PolarHBondContact O-N 3.35Å; I598-K600 VanDerWaalsContact C-N 3.33Å; I598-K600 PolarHBondContact O-N 3.1Å; K600-I602 VanDerWaalsContact C-N 3.35Å; K600-E603 PolarHBondContact O-N 2.76Å; K600-E604 WeakPolarHBondContact O-CB 3.28Å; K600-E604 PolarHBondContact O-N 2.81Å
601	I	93.9	Very high	92.5	Very high	15 Å²	15	67.6 Å²	67.6	8%	0.077	34%	0.344	C	S	.	.	H	α-helix	trans	-67.9	-37.4	179.4	-166	65.7	0	0	0	111.1	K597 I598 E599 E604 K605 V627 V630 V631	K597-I601 PolarHBondContact O-N 3Å; I598-I601 WeakPolarHBondContact O-CG2 3.34Å; I598-I601 PolarHBondContact O-N 3.12Å; E599-I601 PolarHBondContact O-N 2.86Å; I601-E604 PolarHBondContact O-N 3.46Å; I601-K605 HydrophobicContact CD1-CG 4.37Å; I601-K605 HydrophobicContact CG1-CG 4.33Å; I601-K605 VanDerWaalsContact O-CG 3.31Å; I601-K605 WeakPolarHBondContact O-CG 3.35Å; I601-K605 PolarHBondContact O-N 2.91Å; I601-V627 HydrophobicContact CG1-CG2 4.37Å; I601-V630 HydrophobicContact CB-CG1 4.41Å; I601-V630 HydrophobicContact CD1-CG2 4.47Å; I601-V630 HydrophobicContact CG1-CG2 4.4Å; I601-V630 HydrophobicContact CG2-CB 4.5Å; I601-V630 HydrophobicContact CG2-CG1 4.08Å; I601-V631 HydrophobicContact CG2-CG2 4.28Å
602	I	93.1	Very high	92.5	Very high	4 Å²	4	68.3 Å²	68.3	2%	0.021	34%	0.341	C	S	.	.	H	α-helix	trans	-59.2	-51.9	174.6	-73.8	167.9	0	0	0	110.5	V573 L576 K577 I580 I598 E599 K600 E604 K605 I606	V573-I602 HydrophobicContact CG1-CB 4.25Å; V573-I602 HydrophobicContact CG1-CG1 4.35Å; V573-I602 HydrophobicContact CG1-CG2 3.82Å; L576-I602 HydrophobicContact CB-CD1 3.92Å; L576-I602 HydrophobicContact CB-CG1 4.36Å; K577-I602 HydrophobicContact CB-CD1 4.21Å; K577-I602 HydrophobicContact CB-CG2 4.02Å; K577-I602 HydrophobicContact CD-CG2 4.15Å; K577-I602 HydrophobicContact CG-CG2 4.21Å; I580-I602 HydrophobicContact CD1-CD1 3.65Å; I580-I602 HydrophobicContact CG1-CD1 4.4Å; I598-I602 HydrophobicContact CG2-CD1 3.64Å; I598-I602 HydrophobicContact CG2-CG1 4.27Å; I598-I602 WeakPolarHBondContact O-CB 3.29Å; I598-I602 WeakPolarHBondContact O-CD1 3.35Å; I598-I602 VanDerWaalsContact O-CG1 3.23Å; I598-I602 WeakPolarHBondContact O-CG1 3.24Å; I598-I602 PolarHBondContact O-N 3.36Å; E599-I602 PolarHBondContact O-N 2.88Å; K600-I602 VanDerWaalsContact C-N 3.35Å; I602-E604 VanDerWaalsContact C-N 3.33Å; I602-E604 PolarHBondContact O-N 3.07Å; I602-K605 PolarHBondContact O-N 2.69Å; I602-I606 HydrophobicContact CG2-CD1 3.79Å; I602-I606 HydrophobicContact CG2-CG1 4.46Å; I602-I606 VanDerWaalsContact O-CG1 3.31Å; I602-I606 WeakPolarHBondContact O-CG1 3.22Å; I602-I606 PolarHBondContact O-N 2.71Å
603	E	94.8	Very high	92.3	Very high	116 Å²	116	69.1 Å²	69.1	54%	0.542	34%	0.335	S	S	.	.	H	α-helix	trans	-63.2	-39.9	-179.2	-72.9	-179.2	-175.8	0	0	112.5	E599 K600 K607	E599-E603 WeakPolarHBondContact O-CG 3.28Å; E599-E603 PolarHBondContact O-N 2.73Å; K600-E603 PolarHBondContact O-N 2.76Å; E603-K607 WeakPolarHBondContact O-CG 3.36Å; E603-K607 PolarHBondContact O-N 3.12Å; E603-K607 VanDerWaalsContact O-N 3.1Å
604	E	95.5	Very high	91.9	Very high	93 Å²	93	70 Å²	70	44%	0.435	34%	0.34	S	S	.	.	H	α-helix	trans	-59.7	-48.1	175.2	-172.8	-170.5	128.1	0	0	111.1	K600 I601 I602 K607 W608	K600-E604 WeakPolarHBondContact O-CB 3.28Å; K600-E604 PolarHBondContact O-N 2.81Å; I601-E604 PolarHBondContact O-N 3.46Å; I602-E604 VanDerWaalsContact C-N 3.33Å; I602-E604 PolarHBondContact O-N 3.07Å; E604-K607 PolarHBondContact O-N 3.29Å; E604-W608 WeakPolarHBondContact O-CB 3.34Å; E604-W608 PolarHBondContact O-N 2.85Å
605	K	94.6	Very high	91.8	Very high	2 Å²	2	68 Å²	68	1%	0.009	33%	0.331	C	S	.	.	H	α-helix	trans	-74.3	-31.7	-177.8	-61.6	-46.2	178.8	-155.3	0	113.5	V573 I601 I602 W608 L609 Q623 E626 V627	V573-K605 HydrophobicContact CG2-CB 4.01Å; I601-K605 HydrophobicContact CD1-CG 4.37Å; I601-K605 HydrophobicContact CG1-CG 4.33Å; I601-K605 VanDerWaalsContact O-CG 3.31Å; I601-K605 WeakPolarHBondContact O-CG 3.35Å; I601-K605 PolarHBondContact O-N 2.91Å; I602-K605 PolarHBondContact O-N 2.69Å; K605-W608 PolarHBondContact O-N 2.79Å; K605-L609 WeakPolarHBondContact O-CB 3.49Å; K605-L609 VanDerWaalsContact O-CG 3.28Å; K605-L609 WeakPolarHBondContact O-CG 3.41Å; K605-L609 PolarHBondContact O-N 3.4Å; K605-Q623 VanDerWaalsContact CD-OE1 3.23Å; K605-E626 IonicContact NZ-OE2 3.7Å; K605-E626 PolarHBondContact NZ-OE2 3.02Å; K605-V627 HydrophobicContact CB-CG2 4.3Å; K605-V627 HydrophobicContact CG-CG2 3.55Å
606	I	92.7	Very high	91.7	Very high	19 Å²	19	69.1 Å²	69.1	10%	0.097	34%	0.342	C	S	.	.	H	α-helix	trans	-60.6	-50.5	170.2	-69.9	173.2	0	0	0	109.9	V573 K577 I602 W608 L609 E610	V573-I606 HydrophobicContact CG1-CD1 4.03Å; V573-I606 HydrophobicContact CG1-CG1 3.54Å; K577-I606 HydrophobicContact CD-CD1 4.14Å; I602-I606 HydrophobicContact CG2-CD1 3.79Å; I602-I606 HydrophobicContact CG2-CG1 4.46Å; I602-I606 VanDerWaalsContact O-CG1 3.31Å; I602-I606 WeakPolarHBondContact O-CG1 3.22Å; I602-I606 PolarHBondContact O-N 2.71Å; I606-W608 VanDerWaalsContact C-N 3.28Å; I606-W608 PolarHBondContact O-N 2.66Å; I606-L609 PolarHBondContact O-N 2.83Å; I606-E610 HydrophobicContact CG2-CG 4.49Å; I606-E610 WeakPolarHBondContact O-CG 3.43Å; I606-E610 PolarHBondContact O-N 3.38Å
607	K	94.8	Very high	91.6	Very high	136 Å²	136	66.8 Å²	66.8	59%	0.591	33%	0.325	S	S	*	.	H	α-helix	trans	-61	-38.3	177.6	-73.7	174.7	179.9	170.8	0	112.2	E603 E604 E610 S611	E603-K607 WeakPolarHBondContact O-CG 3.36Å; E603-K607 PolarHBondContact O-N 3.12Å; E603-K607 VanDerWaalsContact O-N 3.1Å; E604-K607 PolarHBondContact O-N 3.29Å; K607-E610 PolarHBondContact O-N 2.92Å; K607-S611 PolarHBondContact O-N 2.9Å; K607-S611 VanDerWaalsContact O-N 3.16Å; K607-S611 PolarHBondContact O-OG 3.32Å
608	W	95.3	Very high	91.7	Very high	40 Å²	40	66.2 Å²	66.2	15%	0.152	33%	0.325	C	S	.	.	H	α-helix	trans	-64	-47.8	175.8	-173	90.6	0	0	0	111.2	E604 K605 I606 E610 S611 H612 A615 E619 Y620 Q623	E604-W608 WeakPolarHBondContact O-CB 3.34Å; E604-W608 PolarHBondContact O-N 2.85Å; K605-W608 PolarHBondContact O-N 2.79Å; I606-W608 VanDerWaalsContact C-N 3.28Å; I606-W608 PolarHBondContact O-N 2.66Å; W608-E610 VanDerWaalsContact C-N 3.29Å; W608-E610 PolarHBondContact O-N 2.84Å; W608-S611 CarbonylContact O-C 3.59Å; W608-S611 PolarHBondContact O-N 2.79Å; W608-S611 VanDerWaalsContact O-N 3.08Å; W608-S611 PolarHBondContact O-OG 3.13Å; W608-S611 VanDerWaalsContact O-OG 3.09Å; W608-H612 AromaticContact CD1-CE1 3.52Å; W608-H612 AromaticContact CD1-ND1 3.5Å; W608-H612 HydrophobicContact CD2-CB 4.1Å; W608-H612 AromaticContact CD2-ND1 3.95Å; W608-H612 AromaticContact CE2-CD2 3.94Å; W608-H612 AromaticContact CE2-CG 3.6Å; W608-H612 AromaticContact CE2-ND1 3.8Å; W608-H612 HydrophobicContact CE3-CB 4.28Å; W608-H612 AromaticContact CG-ND1 3.79Å; W608-H612 HydrophobicContact CH2-CB 4.02Å; W608-H612 HydrophobicContact CZ2-CB 3.81Å; W608-H612 AromaticContact CZ2-CG 3.92Å; W608-H612 HydrophobicContact CZ3-CB 4.23Å; W608-H612 AromaticContact NE1-CD2 3.7Å; W608-H612 AromaticContact NE1-CE1 3.5Å; W608-H612 AromaticContact NE1-CG 3.62Å; W608-H612 AromaticContact NE1-ND1 3.49Å; W608-H612 PolarHBondContact NE1-ND1 2.71Å; W608-H612 AromaticContact NE1-NE2 3.62Å; W608-H612 WeakPolarHBondContact O-CB 3.43Å; W608-H612 PolarHBondContact O-N 3.34Å; W608-H612 PolarHBondContact O-ND1 2.84Å; W608-A615 HydrophobicContact CH2-CB 3.51Å; W608-A615 HydrophobicContact CZ2-CB 3.98Å; W608-A615 HydrophobicContact CZ3-CB 4.45Å; W608-E619 HydrophobicContact CH2-CB 4.29Å; W608-E619 HydrophobicContact CZ2-CB 4.35Å; W608-Y620 AromaticContact CH2-CD1 3.83Å; W608-Y620 HydrophobicContact CH2-CD1 3.83Å; W608-Y620 AromaticContact CH2-CE1 3.87Å; W608-Y620 HydrophobicContact CH2-CE1 3.87Å; W608-Y620 AromaticContact CZ3-CD1 3.54Å; W608-Y620 HydrophobicContact CZ3-CD1 3.54Å; W608-Y620 AromaticContact CZ3-CE1 3.53Å; W608-Y620 HydrophobicContact CZ3-CE1 3.53Å; W608-Q623 HydrophobicContact CD2-CG 3.78Å; W608-Q623 HydrophobicContact CE3-CB 4.38Å; W608-Q623 HydrophobicContact CE3-CG 3.74Å; W608-Q623 HydrophobicContact CH2-CG 3.57Å; W608-Q623 HydrophobicContact CZ2-CG 3.62Å; W608-Q623 HydrophobicContact CZ3-CB 4.24Å; W608-Q623 HydrophobicContact CZ3-CG 3.64Å
609	L	91	Very high	91.8	Very high	10 Å²	10	70.3 Å²	70.3	5%	0.052	34%	0.344	C	S	.	.	H	α-helix	trans	-60.5	-36.9	177	-75.1	166.9	0	0	0	112.8	R566 I569 E570 K605 I606 S611 Y620	R566-L609 HydrophobicContact CG-CD2 4.17Å; I569-L609 HydrophobicContact CG1-CD1 4.39Å; I569-L609 HydrophobicContact CG2-CD1 4.22Å; I569-L609 HydrophobicContact CG2-CD2 3.6Å; I569-L609 HydrophobicContact CG2-CG 4.44Å; E570-L609 HydrophobicContact CB-CD1 4.13Å; K605-L609 WeakPolarHBondContact O-CB 3.49Å; K605-L609 VanDerWaalsContact O-CG 3.28Å; K605-L609 WeakPolarHBondContact O-CG 3.41Å; K605-L609 PolarHBondContact O-N 3.4Å; I606-L609 PolarHBondContact O-N 2.83Å; L609-S611 VanDerWaalsContact C-N 3.32Å; L609-Y620 HydrophobicContact CD2-CD1 4.08Å; L609-Y620 HydrophobicContact CD2-CE1 3.85Å
610	E	90.9	Very high	91.7	Very high	128 Å²	128	67.2 Å²	67.2	60%	0.598	33%	0.329	S	S	*	.	H	α-helix	trans	-66.6	-33.4	175.8	-73.7	172.6	173.3	0	0	112.6	I606 K607 W608	I606-E610 HydrophobicContact CG2-CG 4.49Å; I606-E610 WeakPolarHBondContact O-CG 3.43Å; I606-E610 PolarHBondContact O-N 3.38Å; K607-E610 PolarHBondContact O-N 2.92Å; W608-E610 VanDerWaalsContact C-N 3.29Å; W608-E610 PolarHBondContact O-N 2.84Å
611	S	91.7	Very high	91.7	Very high	78 Å²	78	64.6 Å²	64.6	55%	0.545	32%	0.318	S	S	.	.	H	α-helix	trans	-95.5	-11.5	-176.7	49.5	0	0	0	0	114.6	K607 W608 L609	K607-S611 PolarHBondContact O-N 2.9Å; K607-S611 VanDerWaalsContact O-N 3.16Å; K607-S611 PolarHBondContact O-OG 3.32Å; W608-S611 CarbonylContact O-C 3.59Å; W608-S611 PolarHBondContact O-N 2.79Å; W608-S611 VanDerWaalsContact O-N 3.08Å; W608-S611 PolarHBondContact O-OG 3.13Å; W608-S611 VanDerWaalsContact O-OG 3.09Å; L609-S611 VanDerWaalsContact C-N 3.32Å
612	H	89.9	Confident	91.8	Very high	70 Å²	70	68.3 Å²	68.3	32%	0.324	34%	0.335	S	S	.	.			trans	-131	58.8	-175.1	-59.7	75.5	0	0	0	110.7	W608 D614 A615 Y620	W608-H612 AromaticContact CD1-CE1 3.52Å; W608-H612 AromaticContact CD1-ND1 3.5Å; W608-H612 HydrophobicContact CD2-CB 4.1Å; W608-H612 AromaticContact CD2-ND1 3.95Å; W608-H612 AromaticContact CE2-CD2 3.94Å; W608-H612 AromaticContact CE2-CG 3.6Å; W608-H612 AromaticContact CE2-ND1 3.8Å; W608-H612 HydrophobicContact CE3-CB 4.28Å; W608-H612 AromaticContact CG-ND1 3.79Å; W608-H612 HydrophobicContact CH2-CB 4.02Å; W608-H612 HydrophobicContact CZ2-CB 3.81Å; W608-H612 AromaticContact CZ2-CG 3.92Å; W608-H612 HydrophobicContact CZ3-CB 4.23Å; W608-H612 AromaticContact NE1-CD2 3.7Å; W608-H612 AromaticContact NE1-CE1 3.5Å; W608-H612 AromaticContact NE1-CG 3.62Å; W608-H612 AromaticContact NE1-ND1 3.49Å; W608-H612 PolarHBondContact NE1-ND1 2.71Å; W608-H612 AromaticContact NE1-NE2 3.62Å; W608-H612 WeakPolarHBondContact O-CB 3.43Å; W608-H612 PolarHBondContact O-N 3.34Å; W608-H612 PolarHBondContact O-ND1 2.84Å; H612-D614 PolarHBondContact O-N 3.2Å; H612-A615 HydrophobicContact CB-CB 4.08Å; H612-Y620 PolarHBondContact O-OH 2.86Å
613	Q	83.1	Confident	91.9	Very high	111 Å²	111	69.2 Å²	69.2	52%	0.519	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-15.2	178.4	-64.2	-166.5	-11.1	0	0	113.4	R562 Y620	R562-Q613 PolarHBondContact NH1-O 3.44Å; Q613-Y620 PolarHBondContact O-OH 3.04Å; Q613-Y620 VanDerWaalsContact O-OH 3.1Å
614	D	82.4	Confident	91.8	Very high	132 Å²	132	66.2 Å²	66.2	71%	0.706	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	6.9	-178.2	62.3	-32.7	0	0	0	113.3	H612	H612-D614 PolarHBondContact O-N 3.2Å
615	A	87.5	Confident	91.8	Very high	5 Å²	5	67 Å²	67	4%	0.041	33%	0.326	C	S	.	.			trans	-57.3	151.3	175.6	0	0	0	0	0	112.3	R562 W608 H612 E619 Y620	R562-A615 WeakPolarHBondContact CD-O 3.46Å; R562-A615 VanDerWaalsContact CG-O 3.3Å; R562-A615 WeakPolarHBondContact CG-O 3.21Å; W608-A615 HydrophobicContact CH2-CB 3.51Å; W608-A615 HydrophobicContact CZ2-CB 3.98Å; W608-A615 HydrophobicContact CZ3-CB 4.45Å; H612-A615 HydrophobicContact CB-CB 4.08Å; A615-E619 HydrophobicContact CB-CB 4.01Å; A615-Y620 HydrophobicContact CB-CD1 4.47Å; A615-Y620 HydrophobicContact CB-CE1 3.96Å; A615-Y620 HydrophobicContact CB-CE2 4.09Å; A615-Y620 WeakPolarHBondContact O-CE2 3.32Å
616	T	89.9	Confident	91.8	Very high	74 Å²	74	69.8 Å²	69.8	45%	0.454	34%	0.339	S	S	.	.			trans	-70.7	160.2	178.5	62.9	0	0	0	0	111.9	E618 E619 Y620	T616-E618 PolarHBondContact O-N 2.78Å; T616-E619 WeakPolarHBondContact CB-OE2 3.42Å; T616-E619 WeakPolarHBondContact CG2-OE2 3.43Å; T616-E619 PolarHBondContact N-OE2 2.88Å; T616-E619 PolarHBondContact O-N 2.83Å; T616-E619 VanDerWaalsContact O-N 3.12Å; T616-E619 VanDerWaalsContact OG1-CG 3.27Å; T616-E619 WeakPolarHBondContact OG1-CG 3.2Å; T616-E619 PolarHBondContact OG1-N 2.99Å; T616-E619 PolarHBondContact OG1-OE2 2.85Å; T616-Y620 WeakPolarHBondContact O-CD2 3.45Å; T616-Y620 PolarHBondContact O-N 2.89Å
617	T	89.3	Confident	91.8	Very high	21 Å²	21	68.9 Å²	68.9	13%	0.129	34%	0.335	C	S	.	.	H	α-helix	trans	-51.7	-42.5	174.3	-54.3	0	0	0	0	112.2	E561 R562 S565 Y620 K621	E561-T617 HydrophobicContact CB-CG2 4.45Å; R562-T617 WeakPolarHBondContact CA-OG1 3.09Å; R562-T617 WeakPolarHBondContact CB-OG1 3.47Å; R562-T617 PolarHBondContact N-OG1 2.77Å; S565-T617 WeakPolarHBondContact OG-CG2 3.33Å; T617-Y620 PolarHBondContact O-N 2.89Å; T617-K621 HydrophobicContact CG2-CD 4.34Å; T617-K621 WeakPolarHBondContact O-CG 3.42Å; T617-K621 PolarHBondContact O-N 2.99Å
618	E	94.2	Very high	91.7	Very high	122 Å²	122	65.7 Å²	65.7	57%	0.57	32%	0.322	S	S	*	.	H	α-helix	trans	-71.1	-34.8	-179.1	-64.3	-54.5	120.9	0	0	112.4	T616 K621 Q622	T616-E618 PolarHBondContact O-N 2.78Å; E618-K621 PolarHBondContact O-N 2.88Å; E618-K621 IonicContact OE1-NZ 3.54Å; E618-K621 PolarHBondContact OE1-NZ 2.91Å; E618-Q622 VanDerWaalsContact O-CB 3.25Å; E618-Q622 WeakPolarHBondContact O-CB 3.27Å; E618-Q622 PolarHBondContact O-N 3.35Å
619	E	94	Very high	91.7	Very high	88 Å²	88	68.4 Å²	68.4	41%	0.411	34%	0.339	S	S	.	.	H	α-helix	trans	-64.5	-45.8	172.3	-74	166.9	129	0	0	111.2	W608 A615 T616 K621 Q622 Q623	W608-E619 HydrophobicContact CH2-CB 4.29Å; W608-E619 HydrophobicContact CZ2-CB 4.35Å; A615-E619 HydrophobicContact CB-CB 4.01Å; T616-E619 WeakPolarHBondContact CB-OE2 3.42Å; T616-E619 WeakPolarHBondContact CG2-OE2 3.43Å; T616-E619 PolarHBondContact N-OE2 2.88Å; T616-E619 PolarHBondContact O-N 2.83Å; T616-E619 VanDerWaalsContact O-N 3.12Å; T616-E619 VanDerWaalsContact OG1-CG 3.27Å; T616-E619 WeakPolarHBondContact OG1-CG 3.2Å; T616-E619 PolarHBondContact OG1-N 2.99Å; T616-E619 PolarHBondContact OG1-OE2 2.85Å; E619-K621 PolarHBondContact O-N 2.96Å; E619-Q622 PolarHBondContact O-N 2.93Å; E619-Q623 VanDerWaalsContact O-CG 3.31Å; E619-Q623 WeakPolarHBondContact O-CG 3.17Å; E619-Q623 PolarHBondContact O-N 3.14Å
620	Y	93.2	Very high	91.7	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-60.2	-44.4	175.5	-72.2	-53	0	0	0	112.5	R562 R566 I569 W608 L609 H612 Q613 A615 T616 T617 Q622 Q623 K624	R562-Y620 HydrophobicContact CG-CD2 4.15Å; R562-Y620 HydrophobicContact CG-CE2 3.84Å; R562-Y620 WeakPolarHBondContact O-CD2 3.38Å; R566-Y620 HydrophobicContact CB-CD1 4.09Å; R566-Y620 HydrophobicContact CB-CD2 3.97Å; R566-Y620 HydrophobicContact CB-CE1 3.9Å; R566-Y620 HydrophobicContact CB-CE2 3.72Å; R566-Y620 HydrophobicContact CB-CG 4.16Å; R566-Y620 HydrophobicContact CG-CD1 4.35Å; R566-Y620 HydrophobicContact CG-CE1 3.83Å; R566-Y620 HydrophobicContact CG-CE2 4.34Å; I569-Y620 HydrophobicContact CG2-CD1 4.23Å; W608-Y620 AromaticContact CH2-CD1 3.83Å; W608-Y620 HydrophobicContact CH2-CD1 3.83Å; W608-Y620 AromaticContact CH2-CE1 3.87Å; W608-Y620 HydrophobicContact CH2-CE1 3.87Å; W608-Y620 AromaticContact CZ3-CD1 3.54Å; W608-Y620 HydrophobicContact CZ3-CD1 3.54Å; W608-Y620 AromaticContact CZ3-CE1 3.53Å; W608-Y620 HydrophobicContact CZ3-CE1 3.53Å; L609-Y620 HydrophobicContact CD2-CD1 4.08Å; L609-Y620 HydrophobicContact CD2-CE1 3.85Å; H612-Y620 PolarHBondContact O-OH 2.86Å; Q613-Y620 PolarHBondContact O-OH 3.04Å; Q613-Y620 VanDerWaalsContact O-OH 3.1Å; A615-Y620 HydrophobicContact CB-CD1 4.47Å; A615-Y620 HydrophobicContact CB-CE1 3.96Å; A615-Y620 HydrophobicContact CB-CE2 4.09Å; A615-Y620 WeakPolarHBondContact O-CE2 3.32Å; T616-Y620 WeakPolarHBondContact O-CD2 3.45Å; T616-Y620 PolarHBondContact O-N 2.89Å; T617-Y620 PolarHBondContact O-N 2.89Å; Y620-Q622 VanDerWaalsContact C-N 3.34Å; Y620-Q622 PolarHBondContact O-N 3.32Å; Y620-Q623 PolarHBondContact O-N 2.79Å; Y620-K624 WeakPolarHBondContact O-CB 3.37Å; Y620-K624 PolarHBondContact O-N 3.05Å
621	K	93.6	Very high	91.7	Very high	93 Å²	93	64.7 Å²	64.7	40%	0.404	33%	0.325	S	S	.	.	H	α-helix	trans	-62.7	-40.3	175.9	-73.4	175.2	-174	164.3	0	112.2	T617 E618 E619 K624 K625	T617-K621 HydrophobicContact CG2-CD 4.34Å; T617-K621 WeakPolarHBondContact O-CG 3.42Å; T617-K621 PolarHBondContact O-N 2.99Å; E618-K621 PolarHBondContact O-N 2.88Å; E618-K621 IonicContact OE1-NZ 3.54Å; E618-K621 PolarHBondContact OE1-NZ 2.91Å; E619-K621 PolarHBondContact O-N 2.96Å; K621-K624 PolarHBondContact O-N 3.1Å; K621-K625 WeakPolarHBondContact O-CB 3.22Å; K621-K625 PolarHBondContact O-N 3.36Å
622	Q	95.6	Very high	91.7	Very high	92 Å²	92	66.8 Å²	66.8	43%	0.43	33%	0.327	S	S	.	.	H	α-helix	trans	-64.1	-44.9	176.2	179	56	36.5	0	0	111.2	E618 E619 Y620 K624 K625 E626	E618-Q622 VanDerWaalsContact O-CB 3.25Å; E618-Q622 WeakPolarHBondContact O-CB 3.27Å; E618-Q622 PolarHBondContact O-N 3.35Å; E619-Q622 PolarHBondContact O-N 2.93Å; Y620-Q622 VanDerWaalsContact C-N 3.34Å; Y620-Q622 PolarHBondContact O-N 3.32Å; Q622-K624 VanDerWaalsContact C-N 3.33Å; Q622-K624 PolarHBondContact O-N 2.91Å; Q622-K625 WeakPolarHBondContact O-CB 3.37Å; Q622-K625 PolarHBondContact O-N 2.76Å; Q622-E626 PolarHBondContact NE2-OE1 2.58Å; Q622-E626 WeakPolarHBondContact O-CG 3.47Å; Q622-E626 PolarHBondContact O-N 2.83Å
623	Q	95.4	Very high	91.7	Very high	24 Å²	24	66.8 Å²	66.8	11%	0.112	33%	0.333	C	S	.	.	H	α-helix	trans	-63.3	-38.4	175.6	-66.8	-53.8	-58	0	0	112.2	I569 K605 W608 E619 Y620 E626 V627	I569-Q623 HydrophobicContact CD1-CB 3.38Å; K605-Q623 VanDerWaalsContact CD-OE1 3.23Å; W608-Q623 HydrophobicContact CD2-CG 3.78Å; W608-Q623 HydrophobicContact CE3-CB 4.38Å; W608-Q623 HydrophobicContact CE3-CG 3.74Å; W608-Q623 HydrophobicContact CH2-CG 3.57Å; W608-Q623 HydrophobicContact CZ2-CG 3.62Å; W608-Q623 HydrophobicContact CZ3-CB 4.24Å; W608-Q623 HydrophobicContact CZ3-CG 3.64Å; E619-Q623 VanDerWaalsContact O-CG 3.31Å; E619-Q623 WeakPolarHBondContact O-CG 3.17Å; E619-Q623 PolarHBondContact O-N 3.14Å; Y620-Q623 PolarHBondContact O-N 2.79Å; Q623-E626 PolarHBondContact O-N 3.33Å; Q623-V627 PolarHBondContact O-N 3.34Å
624	K	92.7	Very high	92	Very high	53 Å²	53	62.3 Å²	62.3	23%	0.23	31%	0.312	C	S	.	.	H	α-helix	trans	-61.5	-46.9	173.8	179.1	-179.7	173.6	-171.8	0	111	E568 I569 L572 Y620 K621 Q622 E626 V627 E628	E568-K624 IonicContact OE2-NZ 2.68Å; E568-K624 PolarHBondContact OE2-NZ 2.61Å; I569-K624 HydrophobicContact CB-CB 4.2Å; I569-K624 HydrophobicContact CD1-CB 4.46Å; I569-K624 HydrophobicContact CG1-CB 4.35Å; L572-K624 HydrophobicContact CD2-CG 3.97Å; Y620-K624 WeakPolarHBondContact O-CB 3.37Å; Y620-K624 PolarHBondContact O-N 3.05Å; K621-K624 PolarHBondContact O-N 3.1Å; Q622-K624 VanDerWaalsContact C-N 3.33Å; Q622-K624 PolarHBondContact O-N 2.91Å; K624-E626 VanDerWaalsContact C-N 3.3Å; K624-E626 PolarHBondContact O-N 2.74Å; K624-V627 WeakPolarHBondContact O-CB 3.3Å; K624-V627 PolarHBondContact O-N 2.89Å; K624-V627 VanDerWaalsContact O-N 3.11Å; K624-E628 VanDerWaalsContact CE-OE1 3.29Å; K624-E628 WeakPolarHBondContact CE-OE1 3.49Å; K624-E628 WeakPolarHBondContact O-CG 3.32Å; K624-E628 PolarHBondContact O-N 2.93Å
625	K	95.3	Very high	92.1	Very high	109 Å²	109	57.2 Å²	57.2	47%	0.474	29%	0.285	S	S	.	.	H	α-helix	trans	-59.6	-40	177.3	-173.4	177.4	178.8	-179.5	0	112	K621 Q622 V627 E628 D629	K621-K625 WeakPolarHBondContact O-CB 3.22Å; K621-K625 PolarHBondContact O-N 3.36Å; Q622-K625 WeakPolarHBondContact O-CB 3.37Å; Q622-K625 PolarHBondContact O-N 2.76Å; K625-V627 VanDerWaalsContact C-N 3.33Å; K625-V627 PolarHBondContact O-N 3.48Å; K625-E628 PolarHBondContact O-N 2.97Å; K625-D629 WeakPolarHBondContact O-CB 3.42Å; K625-D629 VanDerWaalsContact O-CG 3.26Å; K625-D629 PolarHBondContact O-N 2.99Å
626	E	94.8	Very high	91.9	Very high	61 Å²	61	58.3 Å²	58.3	29%	0.285	30%	0.297	S	S	.	.	H	α-helix	trans	-62.2	-37.5	175	-73.3	173.3	-157	0	0	113	K605 Q622 Q623 K624 V630	K605-E626 IonicContact NZ-OE2 3.7Å; K605-E626 PolarHBondContact NZ-OE2 3.02Å; Q622-E626 PolarHBondContact NE2-OE1 2.58Å; Q622-E626 WeakPolarHBondContact O-CG 3.47Å; Q622-E626 PolarHBondContact O-N 2.83Å; Q623-E626 PolarHBondContact O-N 3.33Å; K624-E626 VanDerWaalsContact C-N 3.3Å; K624-E626 PolarHBondContact O-N 2.74Å; E626-V630 WeakPolarHBondContact O-CG2 3.45Å; E626-V630 PolarHBondContact O-N 3.39Å
627	V	93.6	Very high	91.5	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63.6	-48.4	172.1	177.5	0	0	0	0	110.2	L572 V573 L576 I601 K605 Q623 K624 K625 D629 V630 V631	L572-V627 HydrophobicContact CD2-CB 4.23Å; L572-V627 HydrophobicContact CD2-CG1 3.94Å; L572-V627 HydrophobicContact CG-CG1 4.29Å; V573-V627 HydrophobicContact CG2-CG2 4.08Å; L576-V627 HydrophobicContact CD1-CG1 3.48Å; L576-V627 VanDerWaalsContact CD1-CG1 3.48Å; I601-V627 HydrophobicContact CG1-CG2 4.37Å; K605-V627 HydrophobicContact CB-CG2 4.3Å; K605-V627 HydrophobicContact CG-CG2 3.55Å; Q623-V627 PolarHBondContact O-N 3.34Å; K624-V627 WeakPolarHBondContact O-CB 3.3Å; K624-V627 PolarHBondContact O-N 2.89Å; K624-V627 VanDerWaalsContact O-N 3.11Å; K625-V627 VanDerWaalsContact C-N 3.33Å; K625-V627 PolarHBondContact O-N 3.48Å; V627-D629 PolarHBondContact O-N 2.92Å; V627-V630 PolarHBondContact O-N 3.43Å; V627-V631 HydrophobicContact CG1-CG2 4.09Å; V627-V631 VanDerWaalsContact O-CB 3.31Å; V627-V631 WeakPolarHBondContact O-CB 3.25Å; V627-V631 WeakPolarHBondContact O-CG2 3.32Å; V627-V631 PolarHBondContact O-N 2.71Å
628	E	93.3	Very high	91	Very high	68 Å²	68	62.1 Å²	62.1	32%	0.318	31%	0.307	S	S	.	.	H	α-helix	trans	-61.5	-44.4	-179.4	-69.9	173.9	165.5	0	0	111.8	L572 K624 K625 V630 V631 Q632	L572-E628 HydrophobicContact CD2-CG 4.23Å; K624-E628 VanDerWaalsContact CE-OE1 3.29Å; K624-E628 WeakPolarHBondContact CE-OE1 3.49Å; K624-E628 WeakPolarHBondContact O-CG 3.32Å; K624-E628 PolarHBondContact O-N 2.93Å; K625-E628 PolarHBondContact O-N 2.97Å; E628-V630 VanDerWaalsContact C-N 3.25Å; E628-V630 PolarHBondContact O-N 2.95Å; E628-V631 PolarHBondContact O-N 3.03Å; E628-Q632 HydrophobicContact CB-CG 4.26Å; E628-Q632 WeakPolarHBondContact O-CB 3.14Å; E628-Q632 WeakPolarHBondContact O-CG 3.38Å; E628-Q632 PolarHBondContact O-N 2.95Å
629	D	94.1	Very high	90	Very high	98 Å²	98	64.2 Å²	64.2	52%	0.524	31%	0.31	S	S	.	.	H	α-helix	trans	-61.8	-31.1	179.9	-76	-18.2	0	0	0	112.5	K625 V627 P633	K625-D629 WeakPolarHBondContact O-CB 3.42Å; K625-D629 VanDerWaalsContact O-CG 3.26Å; K625-D629 PolarHBondContact O-N 2.99Å; V627-D629 PolarHBondContact O-N 2.92Å; D629-P633 WeakPolarHBondContact O-CD 3.28Å; D629-P633 VanDerWaalsContact O-CG 3.28Å; D629-P633 WeakPolarHBondContact O-CG 3.18Å
630	V	92.1	Very high	88.8	Confident	54 Å²	54	67.5 Å²	67.5	33%	0.327	33%	0.326	S	S	.	.	H	α-helix	trans	-82.3	-42.8	175.6	174.7	0	0	0	0	111.7	I601 E626 V627 E628 I634	I601-V630 HydrophobicContact CB-CG1 4.41Å; I601-V630 HydrophobicContact CD1-CG2 4.47Å; I601-V630 HydrophobicContact CG1-CG2 4.4Å; I601-V630 HydrophobicContact CG2-CB 4.5Å; I601-V630 HydrophobicContact CG2-CG1 4.08Å; E626-V630 WeakPolarHBondContact O-CG2 3.45Å; E626-V630 PolarHBondContact O-N 3.39Å; V627-V630 PolarHBondContact O-N 3.43Å; E628-V630 VanDerWaalsContact C-N 3.25Å; E628-V630 PolarHBondContact O-N 2.95Å; V630-I634 WeakPolarHBondContact O-CD1 3.42Å; V630-I634 WeakPolarHBondContact O-CG1 3.19Å
631	V	90.9	Very high	87.2	Confident	5 Å²	5	70.5 Å²	70.5	3%	0.03	36%	0.357	C	S	.	.	H	α-helix	trans	-85.8	-41.3	-167.9	175.1	0	0	0	0	112.2	L576 I598 I601 V627 E628 I634 I635	L576-V631 HydrophobicContact CD1-CG1 4.24Å; L576-V631 HydrophobicContact CD1-CG2 4.01Å; L576-V631 HydrophobicContact CD2-CG1 3.75Å; I598-V631 HydrophobicContact CG1-CG2 4.35Å; I598-V631 HydrophobicContact CG2-CG2 4.22Å; I601-V631 HydrophobicContact CG2-CG2 4.28Å; V627-V631 HydrophobicContact CG1-CG2 4.09Å; V627-V631 VanDerWaalsContact O-CB 3.31Å; V627-V631 WeakPolarHBondContact O-CB 3.25Å; V627-V631 WeakPolarHBondContact O-CG2 3.32Å; V627-V631 PolarHBondContact O-N 2.71Å; E628-V631 PolarHBondContact O-N 3.03Å; V631-I634 WeakPolarHBondContact O-CB 3.38Å; V631-I634 PolarHBondContact O-N 3.08Å; V631-I635 HydrophobicContact CG1-CD1 3.43Å; V631-I635 VanDerWaalsContact CG1-CD1 3.43Å; V631-I635 HydrophobicContact CG1-CG1 3.94Å; V631-I635 PolarHBondContact O-N 3.17Å
632	Q	90.5	Very high	85.4	Confident	123 Å²	123	69.8 Å²	69.8	58%	0.575	37%	0.369	S	S	*	.	H	α-helix	trans	-58.1	-44.6	-177.3	-71	-71.8	-6.8	0	0	112.8	E628 I634 I635 G636	E628-Q632 HydrophobicContact CB-CG 4.26Å; E628-Q632 WeakPolarHBondContact O-CB 3.14Å; E628-Q632 WeakPolarHBondContact O-CG 3.38Å; E628-Q632 PolarHBondContact O-N 2.95Å; Q632-I634 VanDerWaalsContact C-N 3.26Å; Q632-I634 PolarHBondContact O-N 2.79Å; Q632-I635 PolarHBondContact O-N 3.41Å; Q632-G636 PolarHBondContact O-N 3.37Å
633	P	90.8	Very high	83.2	Confident	69 Å²	69	68.7 Å²	68.7	45%	0.448	38%	0.382	S	S	.	.	H	α-helix	trans	-64.8	-28.7	176.9	-23.4	35.6	0	0	0	113.7	D629 K637	D629-P633 WeakPolarHBondContact O-CD 3.28Å; D629-P633 VanDerWaalsContact O-CG 3.28Å; D629-P633 WeakPolarHBondContact O-CG 3.18Å; P633-K637 WeakPolarHBondContact O-CB 2.93Å; P633-K637 VanDerWaalsContact O-CG 3.26Å; P633-K637 WeakPolarHBondContact O-CG 3.42Å; P633-K637 PolarHBondContact O-N 2.66Å
634	I	88.2	Confident	80.7	Confident	17 Å²	17	70.9 Å²	70.9	9%	0.087	41%	0.411	C	S	.	.	H	α-helix	trans	-74.4	-48.8	178.5	-62.7	172.7	0	0	0	109.8	L590 Q594 K597 I598 V630 V631 Q632 K637 L638	L590-I634 HydrophobicContact CD2-CG2 3.5Å; Q594-I634 HydrophobicContact CB-CG2 3.83Å; Q594-I634 HydrophobicContact CG-CG2 3.86Å; K597-I634 HydrophobicContact CB-CD1 4.25Å; I598-I634 HydrophobicContact CD1-CB 4.4Å; I598-I634 HydrophobicContact CD1-CD1 4.19Å; I598-I634 HydrophobicContact CD1-CG2 3.93Å; I598-I634 HydrophobicContact CG1-CD1 3.77Å; V630-I634 WeakPolarHBondContact O-CD1 3.42Å; V630-I634 WeakPolarHBondContact O-CG1 3.19Å; V631-I634 WeakPolarHBondContact O-CB 3.38Å; V631-I634 PolarHBondContact O-N 3.08Å; Q632-I634 VanDerWaalsContact C-N 3.26Å; Q632-I634 PolarHBondContact O-N 2.79Å; I634-K637 PolarHBondContact O-N 3.43Å; I634-L638 PolarHBondContact O-N 3.35Å
635	I	84.6	Confident	78.1	Confident	25 Å²	25	73.2 Å²	73.2	13%	0.128	44%	0.44	C	S	.	.	H	α-helix	trans	-67.7	-42.7	179.2	-63.4	-176.7	0	0	0	110.9	L576 L586 V631 Q632 K637 L638 Y639	L576-I635 HydrophobicContact CD2-CD1 4.43Å; L586-I635 HydrophobicContact CD1-CG1 4.43Å; L586-I635 HydrophobicContact CD2-CD1 4.11Å; L586-I635 HydrophobicContact CD2-CG1 4.44Å; V631-I635 HydrophobicContact CG1-CD1 3.43Å; V631-I635 VanDerWaalsContact CG1-CD1 3.43Å; V631-I635 HydrophobicContact CG1-CG1 3.94Å; V631-I635 PolarHBondContact O-N 3.17Å; Q632-I635 PolarHBondContact O-N 3.41Å; I635-K637 VanDerWaalsContact C-N 3.32Å; I635-K637 PolarHBondContact O-N 3.47Å; I635-L638 WeakPolarHBondContact O-CB 3.47Å; I635-L638 PolarHBondContact O-N 3.26Å; I635-Y639 HydrophobicContact CG2-CD2 3.74Å; I635-Y639 HydrophobicContact CG2-CE2 3.51Å; I635-Y639 WeakPolarHBondContact O-CD2 3.42Å; I635-Y639 PolarHBondContact O-N 3.24Å; I635-Y639 VanDerWaalsContact O-N 3.15Å
636	G	84.2	Confident	75.5	Confident	29 Å²	29	71.6 Å²	71.6	30%	0.299	45%	0.454	S	S	.	.	H	α-helix	trans	-58.5	-40.7	177.6	0	0	0	0	0	112.9	Q632 L638 Y639 Q640	Q632-G636 PolarHBondContact O-N 3.37Å; G636-L638 VanDerWaalsContact C-N 3.32Å; G636-L638 PolarHBondContact O-N 3Å; G636-Y639 PolarHBondContact O-N 3.43Å; G636-Q640 WeakPolarHBondContact O-CG 3.44Å; G636-Q640 PolarHBondContact O-N 3.22Å
637	K	81.9	Confident	72.8	Confident	141 Å²	141	74.3 Å²	74.3	61%	0.613	49%	0.487	S	S	*	.	H	α-helix	trans	-64.6	-33.5	174	-77.7	177.5	-178.2	-178.5	0	113	P633 I634 I635 G641	P633-K637 WeakPolarHBondContact O-CB 2.93Å; P633-K637 VanDerWaalsContact O-CG 3.26Å; P633-K637 WeakPolarHBondContact O-CG 3.42Å; P633-K637 PolarHBondContact O-N 2.66Å; I634-K637 PolarHBondContact O-N 3.43Å; I635-K637 VanDerWaalsContact C-N 3.32Å; I635-K637 PolarHBondContact O-N 3.47Å; K637-G641 PolarHBondContact O-N 2.93Å
638	L	77.5	Confident	70.3	Confident	33 Å²	33	77.6 Å²	77.6	17%	0.173	52%	0.521	C	S	.	.	H	α-helix	trans	-67.8	-40.3	177	-72.6	167.8	0	0	0	112	L586 K589 L590 I634 I635 G636 G641 A642	L586-L638 HydrophobicContact CD1-CD1 3.71Å; K589-L638 HydrophobicContact CB-CD2 4.07Å; K589-L638 WeakPolarHBondContact O-CD2 3.42Å; L590-L638 HydrophobicContact CD2-CD1 3.58Å; L590-L638 HydrophobicContact CG-CD1 4.09Å; I634-L638 PolarHBondContact O-N 3.35Å; I635-L638 WeakPolarHBondContact O-CB 3.47Å; I635-L638 PolarHBondContact O-N 3.26Å; G636-L638 VanDerWaalsContact C-N 3.32Å; G636-L638 PolarHBondContact O-N 3Å; L638-G641 PolarHBondContact O-N 3.45Å; L638-A642 WeakPolarHBondContact O-CB 3.4Å; L638-A642 PolarHBondContact O-N 3.17Å; L638-A642 VanDerWaalsContact O-N 3.09Å
639	Y	73.4	Confident	67.8	Low	166 Å²	166	79 Å²	79	65%	0.651	54%	0.544	S	S	*	.	H	α-helix	trans	-72.1	-38.2	175.7	-75.8	-74.6	0	0	0	112.4	I635 G636 G641 A642 G643	I635-Y639 HydrophobicContact CG2-CD2 3.74Å; I635-Y639 HydrophobicContact CG2-CE2 3.51Å; I635-Y639 WeakPolarHBondContact O-CD2 3.42Å; I635-Y639 PolarHBondContact O-N 3.24Å; I635-Y639 VanDerWaalsContact O-N 3.15Å; G636-Y639 PolarHBondContact O-N 3.43Å; Y639-G641 VanDerWaalsContact C-N 3.32Å; Y639-G641 PolarHBondContact O-N 3.07Å; Y639-A642 PolarHBondContact O-N 2.86Å; Y639-G643 PolarHBondContact O-N 3.18Å
640	Q	69.3	Low	65.4	Low	157 Å²	157	79.9 Å²	79.9	73%	0.734	56%	0.555	S	S	*	*	H	α-helix	trans	-66.8	-33	173.6	-72.4	179.1	-1.8	0	0	112.5	G636	G636-Q640 WeakPolarHBondContact O-CG 3.44Å; G636-Q640 PolarHBondContact O-N 3.22Å
641	G	59	Low	63.1	Low	63 Å²	63	82.9 Å²	82.9	65%	0.649	58%	0.576	S	S	*	*	H	α-helix	trans	-73.5	-27.3	174.7	0	0	0	0	0	114.2	K637 L638 Y639	K637-G641 PolarHBondContact O-N 2.93Å; L638-G641 PolarHBondContact O-N 3.45Å; Y639-G641 VanDerWaalsContact C-N 3.32Å; Y639-G641 PolarHBondContact O-N 3.07Å
642	A	55.6	Low	60.8	Low	79 Å²	79	88.5 Å²	88.5	65%	0.653	61%	0.612	S	S	*	*	H	α-helix	trans	-84.1	-21.4	177.9	0	0	0	0	0	113.6	L638 Y639	L638-A642 WeakPolarHBondContact O-CB 3.4Å; L638-A642 PolarHBondContact O-N 3.17Å; L638-A642 VanDerWaalsContact O-N 3.09Å; Y639-A642 PolarHBondContact O-N 2.86Å
643	G	49.2	Very low	58.6	Low	69 Å²	69	91.9 Å²	91.9	71%	0.711	63%	0.628	S	S	*	*	S	Bend	trans	-90.1	5.2	179.6	0	0	0	0	0	115.9	Y639	Y639-G643 PolarHBondContact O-N 3.18Å
644	G	43	Very low	56.4	Low	69 Å²	69	97.3 Å²	97.3	71%	0.711	65%	0.647	S	S	*	*	S	Bend	trans	-91.5	3.8	-170.4	0	0	0	0	0	117.2
645	A	39.7	Very low	54.1	Low	102 Å²	102	103.8 Å²	103.8	84%	0.843	68%	0.682	S	S	*	*	S	Bend	trans	-130.4	92.5	-179.3	0	0	0	0	0	111.3
646	G	38.9	Very low	52.2	Low	76 Å²	76	111.7 Å²	111.7	78%	0.784	72%	0.719	S	S	*	*			trans	148.7	53.9	171.7	0	0	0	0	0	115.8	G648	G646-G648 PolarHBondContact O-N 2.78Å
647	A	39.3	Very low	50	Low	118 Å²	118	119.5 Å²	119.5	98%	0.975	75%	0.745	S	S	*	*			trans	-81.7	96.8	163.7	0	0	0	0	0	109.3
648	G	40.2	Very low	48.4	Very low	68 Å²	68	120.4 Å²	120.4	70%	0.701	76%	0.756	S	S	*	*			trans	-158.2	79.5	170.7	0	0	0	0	0	109.6	G646	G646-G648 PolarHBondContact O-N 2.78Å
649	A	41.4	Very low	46.8	Very low	97 Å²	97	127.4 Å²	127.4	80%	0.802	79%	0.788	S	S	*	*			trans	-61.8	167.7	163.5	0	0	0	0	0	110.1
650	P	42.9	Very low	45.5	Very low	118 Å²	118	131.6 Å²	131.6	77%	0.766	82%	0.82	S	S	*	*			cis	-145.9	-152.9	19.5	30.5	-2.5	0	0	0	111.9
651	P	45.8	Very low	44.3	Very low	116 Å²	116	130.4 Å²	130.4	75%	0.753	83%	0.825	S	S	*	*			cis	-117.8	-176.4	-39.6	21.5	2.6	0	0	0	111.9
652	P	41.2	Very low	43.5	Very low	124 Å²	124	133.9 Å²	133.9	81%	0.805	83%	0.834	S	S	*	*			trans	-87.4	154.6	-159.7	28	-20.5	0	0	0	115.8
653	Q	44.3	Very low	42.9	Very low	194 Å²	194	136.9 Å²	136.9	91%	0.907	84%	0.844	S	S	*	*			trans	-123.2	144.9	162.9	-95.5	-179.7	-29.9	0	0	110.5
654	E	44.1	Very low	42.5	Very low	182 Å²	182	140.9 Å²	140.9	85%	0.85	85%	0.852	S	S	*	*			trans	-73.3	143.1	-159.9	-68.1	155.3	146.9	0	0	114.5
655	D	41.4	Very low	42.5	Very low	154 Å²	154	145.4 Å²	145.4	82%	0.824	86%	0.861	S	S	*	*			trans	23.3	119.2	135.5	-56.6	-29.9	0	0	0	119.5
656	E	43.1	Very low	42.6	Very low	191 Å²	191	148.3 Å²	148.3	89%	0.893	86%	0.862	S	S	*	*				-154.3	111.8	126	-112	172.7	-168.7	0	0	109.2
657	K	39	Very low	42.9	Very low	193 Å²	193	153.5 Å²	153.5	84%	0.839	87%	0.867	S	S	*	*			trans	-79	127.3	163.7	-79.6	177.7	171.1	-176.2	0	106.9
658	D	47.5	Very low	43.2	Very low	160 Å²	160	156.2 Å²	156.2	86%	0.856	86%	0.859	S	S	*	*			trans	-128.9	114.5	152	-92.7	-25.1	0	0	0	108.8
659	E	44.3	Very low	43.4	Very low	179 Å²	179	163.6 Å²	163.6	84%	0.836	87%	0.872	S	S	*	*			trans	-77.2	128.9	162.6	-69.6	177.4	162.4	0	0	108.3
660	L	46.5	Very low	43.6	Very low	255 Å²	255	169.6 Å²	169.6	100%	1.335	88%	0.879	S	S	*	*			trans	-139.4	0	150.6	-90.7	175.6	0	0	0	109.2

Retrieved 660 of 660 residues in 315.5 ms (Link to these results)

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