G4VCI7_SCHMA Loading...

PNPLA domain-containing protein

AlphaFold DB , UniProt , Accession G4VCI7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 621 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	30.3	Very low	35.6	Very low	235 Å²	235	157.8 Å²	157.8	100%	1.158	83%	0.825	S	S	*	*				0	114.4	0	-83.1	170.6	146.8	0	0	107.4
2	Y	32.1	Very low	35.8	Very low	230 Å²	230	155.3 Å²	155.3	90%	0.902	81%	0.813	S	S	*	*			trans	-130.1	128.5	164.5	-78.5	-77.8	0	0	0	106.9
3	S	31.5	Very low	35.7	Very low	102 Å²	102	158.4 Å²	158.4	71%	0.713	81%	0.807	S	S	*	*			trans	-69.2	132.9	-172.7	179.5	0	0	0	0	111.3	A5	S3-A5 PolarHBondContact O-N 3.46Å; S3-A5 WeakPolarHBondContact OG-CB 3.19Å
4	V	41.9	Very low	36.1	Very low	147 Å²	147	164 Å²	164	89%	0.891	82%	0.816	S	S	*	*	S	Bend	trans	-90.2	49.3	-179.5	-171.6	0	0	0	0	109.4
5	A	38.5	Very low	36.3	Very low	58 Å²	58	164.6 Å²	164.6	48%	0.479	81%	0.807	S	S	.	*			trans	-119.6	-5.5	-166.9	0	0	0	0	0	116.3	S3	S3-A5 PolarHBondContact O-N 3.46Å; S3-A5 WeakPolarHBondContact OG-CB 3.19Å
6	D	37.9	Very low	37	Very low	155 Å²	155	161.4 Å²	161.4	83%	0.829	78%	0.783	S	S	*	*			trans	-115	39.3	-173.4	-61.5	-41.5	0	0	0	114.4
7	I	39.7	Very low	37	Very low	161 Å²	161	158.4 Å²	158.4	83%	0.826	77%	0.772	S	S	*	*			trans	-118.9	58.4	170.3	-51.6	173.1	0	0	0	109
8	D	31.6	Very low	37.5	Very low	148 Å²	148	157.2 Å²	157.2	79%	0.791	77%	0.769	S	S	*	*			trans	-86.2	106.5	158.8	-81.3	-27.5	0	0	0	107.6
9	L	35.3	Very low	37.8	Very low	158 Å²	158	152.6 Å²	152.6	83%	0.827	75%	0.752	S	S	*	*			trans	152.7	103.1	155.2	-83.4	151.7	0	0	0	108.9
10	I	37.2	Very low	38.3	Very low	138 Å²	138	146.8 Å²	146.8	71%	0.708	73%	0.727	S	S	*	*			trans	162.1	78.1	135.5	-72.5	149.4	0	0	0	106	D12	I10-D12 WeakPolarHBondContact CG2-O 3.4Å; I10-D12 PolarHBondContact O-N 3.2Å
11	E	36	Very low	39.1	Very low	204 Å²	204	142 Å²	142	95%	0.953	71%	0.708	S	S	*	*			trans	-73.8	2.9	166.4	-83.4	-170.7	140	0	0	112.7
12	D	37.4	Very low	41	Very low	127 Å²	127	136.9 Å²	136.9	68%	0.679	68%	0.679	S	S	*	*			trans	-103.4	102.8	-179.8	-91.5	-25.5	0	0	0	112.5	I10	I10-D12 WeakPolarHBondContact CG2-O 3.4Å; I10-D12 PolarHBondContact O-N 3.2Å
13	R	34.4	Very low	43.5	Very low	196 Å²	196	127.6 Å²	127.6	74%	0.74	64%	0.644	S	S	*	*			trans	146.9	72.4	130.2	-76.3	167.5	-73.1	-154	2.3	113.9	Y15	R13-Y15 PolarHBondContact O-N 2.93Å
14	Y	41.2	Very low	46.4	Very low	237 Å²	237	123.2 Å²	123.2	93%	0.929	61%	0.613	S	S	*	*			trans	-61.2	21.7	156.4	-100.8	-91	0	0	0	114.4
15	Y	39.6	Very low	48.9	Very low	173 Å²	173	116.2 Å²	116.2	68%	0.678	57%	0.57	S	S	*	*			trans	-105.2	103	179.2	-120.8	-95.4	0	0	0	109.8	R13 D17	R13-Y15 PolarHBondContact O-N 2.93Å; Y15-D17 PolarHBondContact O-N 3.26Å; Y15-D17 VanDerWaalsContact O-N 3.16Å
16	R	47.1	Very low	51.6	Low	114 Å²	114	113.5 Å²	113.5	43%	0.43	55%	0.547	S	S	.	.			trans	-73.4	100	166.7	-68.5	-177.6	-157.6	-154.9	6.6	108	L18 T289 P290	R16-L18 PolarHBondContact O-N 2.72Å; R16-T289 PolarHBondContact NH1-O 3.32Å; R16-P290 VanDerWaalsContact NH1-CA 3.27Å
17	D	37.8	Very low	54.5	Low	109 Å²	109	106.1 Å²	106.1	58%	0.583	51%	0.508	S	S	*	.			trans	-69.3	119.4	162.2	-69.3	-29.8	0	0	0	107.9	Y15 P19 S20	Y15-D17 PolarHBondContact O-N 3.26Å; Y15-D17 VanDerWaalsContact O-N 3.16Å; D17-P19 WeakPolarHBondContact O-CD 2.94Å; D17-S20 PolarHBondContact O-N 3.21Å; D17-S20 VanDerWaalsContact O-N 3.12Å; D17-S20 PolarHBondContact O-OG 3.19Å
18	L	45.1	Very low	57.1	Low	137 Å²	137	98.4 Å²	98.4	72%	0.717	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-41.7	-29	174.2	-135.8	75.1	0	0	0	116.3	R16 S20 S21	R16-L18 PolarHBondContact O-N 2.72Å; L18-S20 VanDerWaalsContact C-N 3.25Å; L18-S20 PolarHBondContact O-N 2.96Å; L18-S21 PolarHBondContact O-OG 3.35Å
19	P	43.1	Very low	59.9	Low	71 Å²	71	91.6 Å²	91.6	46%	0.461	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-64.4	-23.5	177.6	-21.4	34.1	0	0	0	114.4	D17 S21 K22 Q193	D17-P19 WeakPolarHBondContact O-CD 2.94Å; P19-S21 PolarHBondContact O-N 3.16Å; P19-S21 VanDerWaalsContact O-N 3.13Å; P19-K22 PolarHBondContact O-N 3.22Å; P19-Q193 PolarHBondContact O-NE2 3.3Å; P19-Q193 PolarHBondContact O-OE1 3.26Å
20	S	47.8	Very low	62.5	Low	36 Å²	36	84.1 Å²	84.1	25%	0.252	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-65.5	-14.3	-177.8	59.5	0	0	0	0	114.5	D17 L18 H23 I361	D17-S20 PolarHBondContact O-N 3.21Å; D17-S20 VanDerWaalsContact O-N 3.12Å; D17-S20 PolarHBondContact O-OG 3.19Å; L18-S20 VanDerWaalsContact C-N 3.25Å; L18-S20 PolarHBondContact O-N 2.96Å; S20-H23 PolarHBondContact O-CE1 3.12Å; S20-H23 PolarHBondContact O-ND1 2.81Å; S20-I361 VanDerWaalsContact CB-CG2 3.45Å
21	S	54.9	Low	64.8	Low	45 Å²	45	78.7 Å²	78.7	32%	0.315	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-85.2	-8.5	177.5	67.4	0	0	0	0	114.5	L18 P19 H23 K55	L18-S21 PolarHBondContact O-OG 3.35Å; P19-S21 PolarHBondContact O-N 3.16Å; P19-S21 VanDerWaalsContact O-N 3.13Å; S21-H23 PolarHBondContact O-N 2.84Å; S21-K55 VanDerWaalsContact O-CE 3.24Å; S21-K55 WeakPolarHBondContact O-CE 3.42Å; S21-K55 PolarHBondContact O-NZ 3.3Å
22	K	70.4	Confident	67.1	Low	128 Å²	128	69.6 Å²	69.6	56%	0.557	33%	0.33	S	S	*	.			trans	-97.5	26.4	-168.8	-69.7	-175.9	-176.6	-177.1	0	115.3	P19 N191 Q193	P19-K22 PolarHBondContact O-N 3.22Å; K22-N191 PolarHBondContact O-ND2 3.48Å; K22-Q193 PolarHBondContact O-OE1 3.36Å
23	H	85.2	Confident	69.5	Low	36 Å²	36	63.6 Å²	63.6	17%	0.167	30%	0.297	C	S	.	.			trans	-63.9	137.8	170.8	-63.3	100	0	0	0	111.2	S20 S21 L51 K55 Q193 I195 F281	S20-H23 PolarHBondContact O-CE1 3.12Å; S20-H23 PolarHBondContact O-ND1 2.81Å; S21-H23 PolarHBondContact O-N 2.84Å; H23-L51 HydrophobicContact CB-CD2 3.94Å; H23-K55 VanDerWaalsContact O-CD 3.29Å; H23-K55 WeakPolarHBondContact O-CD 3.25Å; H23-Q193 WeakPolarHBondContact CA-O 3.37Å; H23-I195 HydrophobicContact CB-CD1 4.12Å; H23-F281 AromaticContact CD2-CZ 3.96Å; H23-F281 AromaticContact CE1-CE1 3.68Å; H23-F281 AromaticContact CE1-CZ 3.77Å; H23-F281 AromaticContact ND1-CE1 3.7Å; H23-F281 AromaticContact NE2-CZ 3.74Å
24	N	91.4	Very high	72.2	Confident	10 Å²	10	54.8 Å²	54.8	5%	0.053	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	165.7	170.4	-56.9	-61.5	0	0	0	109.1	P56 I190 N191 Q193 T194 I195	N24-P56 WeakPolarHBondContact CB-O 3.42Å; N24-P56 VanDerWaalsContact OD1-CD 3.3Å; N24-P56 WeakPolarHBondContact OD1-CD 3.2Å; N24-P56 PolarHBondContact OD1-O 3.21Å; N24-I190 HydrophobicContact CB-CB 4.46Å; N24-I190 HydrophobicContact CB-CD1 3.99Å; N24-N191 PolarHBondContact ND2-ND2 2.91Å; N24-N191 PolarHBondContact ND2-OD1 3.38Å; N24-Q193 PolarHBondContact N-O 3.3Å; N24-T194 HydrophobicContact CB-CG2 4.34Å; N24-T194 CarbonylContact O-C 3.59Å; N24-T194 WeakPolarHBondContact O-CA 3.5Å; N24-I195 PolarHBondContact O-N 3.18Å
25	L	95.1	Very high	74.7	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	143	175.6	-70.2	166.3	0	0	0	110.5	F27 I44 L51 V57 S58 L70 I195	L25-F27 HydrophobicContact CB-CE2 3.88Å; L25-F27 HydrophobicContact CB-CZ 4.47Å; L25-F27 HydrophobicContact CD1-CE2 4.47Å; L25-I44 HydrophobicContact CD1-CD1 4.07Å; L25-I44 HydrophobicContact CD1-CG2 4.19Å; L25-I44 HydrophobicContact CD2-CD1 3.9Å; L25-L51 HydrophobicContact CD1-CB 4.04Å; L25-L51 HydrophobicContact CG-CB 4.33Å; L25-V57 HydrophobicContact CB-CG1 4.03Å; L25-V57 HydrophobicContact CB-CG2 4.49Å; L25-V57 CarbonylContact O-C 3.34Å; L25-V57 WeakPolarHBondContact O-CA 3.33Å; L25-S58 PolarHBondContact O-N 3.26Å; L25-S58 PolarHBondContact O-OG 2.94Å; L25-L70 HydrophobicContact CD1-CD1 4.29Å; L25-I195 HydrophobicContact CD2-CB 3.99Å; L25-I195 HydrophobicContact CD2-CD1 4.39Å; L25-I195 HydrophobicContact CD2-CG2 4.06Å
26	S	96.2	Very high	77.3	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	127.7	173.7	-175.6	0	0	0	0	111.4	S58 L188 T194 I195 V197	S26-S58 WeakPolarHBondContact CA-O 3.43Å; S26-S58 WeakPolarHBondContact CA-OG 3.29Å; S26-S58 WeakPolarHBondContact CB-OG 3.25Å; S26-S58 PolarHBondContact OG-OG 2.92Å; S26-S58 VanDerWaalsContact OG-OG 3.14Å; S26-L188 VanDerWaalsContact CB-O 3.23Å; S26-L188 WeakPolarHBondContact CB-O 2.97Å; S26-L188 PolarHBondContact OG-N 3.29Å; S26-L188 PolarHBondContact OG-O 2.82Å; S26-T194 VanDerWaalsContact CB-CG2 3.5Å; S26-I195 PolarHBondContact N-O 3.2Å; S26-V197 WeakPolarHBondContact O-CB 3.43Å; S26-V197 PolarHBondContact O-N 3.07Å
27	F	97.3	Very high	79.7	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	123.7	-177.6	-64.6	-92.4	0	0	0	111.7	L25 H37 V40 I44 V57 S58 G59 T60 G63 A66 A67 L70 V197	L25-F27 HydrophobicContact CB-CE2 3.88Å; L25-F27 HydrophobicContact CB-CZ 4.47Å; L25-F27 HydrophobicContact CD1-CE2 4.47Å; F27-H37 HydrophobicContact CD1-CB 4.3Å; F27-H37 AromaticContact CD1-ND1 3.59Å; F27-V40 HydrophobicContact CE1-CG1 3.98Å; F27-I44 HydrophobicContact CZ-CD1 4.48Å; F27-V57 HydrophobicContact CD2-CG1 3.99Å; F27-V57 HydrophobicContact CE2-CG1 3.76Å; F27-S58 PolarHBondContact N-O 2.99Å; F27-G59 VanDerWaalsContact O-CA 3.3Å; F27-G59 WeakPolarHBondContact O-CA 3.06Å; F27-T60 PolarHBondContact O-N 3.37Å; F27-G63 WeakPolarHBondContact CB-O 3.3Å; F27-A66 HydrophobicContact CD1-CB 4.41Å; F27-A67 HydrophobicContact CD2-CB 4.14Å; F27-L70 HydrophobicContact CE2-CD1 3.66Å; F27-L70 HydrophobicContact CZ-CD1 3.43Å; F27-L70 VanDerWaalsContact CZ-CD1 3.43Å; F27-V197 HydrophobicContact CD1-CB 3.72Å; F27-V197 HydrophobicContact CD1-CG1 3.82Å; F27-V197 HydrophobicContact CD1-CG2 4.02Å; F27-V197 HydrophobicContact CE1-CB 4Å; F27-V197 HydrophobicContact CE1-CG1 3.96Å; F27-V197 HydrophobicContact CE1-CG2 3.83Å; F27-V197 HydrophobicContact CG-CB 4.37Å; F27-V197 HydrophobicContact CZ-CG2 4.27Å
28	A	94.6	Very high	82.4	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.144	C	C	.	.			trans	-66.9	148.7	179.1	0	0	0	0	0	113.1	H37 G63 N186 L187 V197 L237	A28-H37 PolarHBondContact O-NE2 3.02Å; A28-G63 WeakPolarHBondContact O-CA 3.29Å; A28-G63 PolarHBondContact O-N 3.49Å; A28-N186 WeakPolarHBondContact CA-O 3.33Å; A28-L187 HydrophobicContact CB-CD1 4.08Å; A28-V197 WeakPolarHBondContact CB-O 3.41Å; A28-V197 PolarHBondContact N-O 3.11Å; A28-L237 HydrophobicContact CB-CD1 4.5Å
29	G	91.3	Very high	84.8	Confident	4 Å²	4	18.4 Å²	18.4	4%	0.041	11%	0.11	C	C	.	.			trans	-70	136.5	165.9	0	0	0	0	0	111.9	T60 N186	G29-T60 WeakPolarHBondContact CA-O 3.12Å; G29-T60 PolarHBondContact N-O 3.47Å; G29-N186 WeakPolarHBondContact CA-OD1 3.36Å; G29-N186 PolarHBondContact N-O 2.98Å; G29-N186 PolarHBondContact N-OD1 3.44Å; G29-N186 PolarHBondContact O-ND2 3.45Å; G29-N186 PolarHBondContact O-OD1 3.22Å
30	C	88.7	Confident	87.4	Confident	1 Å²	1	15 Å²	15	1%	0.007	9%	0.088	C	C	.	.			trans	-157.4	14.9	-173.4	66	0	0	0	0	115.3	F32 L33 H37 P199 F200 M252	C30-F32 PolarHBondContact O-N 3.46Å; C30-L33 HydrophobicContact CB-CB 3.95Å; C30-L33 HydrophobicContact CB-CD1 4.41Å; C30-L33 WeakPolarHBondContact O-CB 3.24Å; C30-L33 PolarHBondContact O-N 3.16Å; C30-H37 VanDerWaalsContact SG-CD2 3.51Å; C30-H37 PolarHBondContact SG-NE2 2.86Å; C30-P199 HydrophobicContact CB-CG 3.41Å; C30-P199 VanDerWaalsContact CB-CG 3.41Å; C30-F200 HydrophobicContact CB-CE2 4.17Å; C30-M252 WeakPolarHBondContact O-CB 3.42Å; C30-M252 WeakPolarHBondContact O-CG 3.39Å
31	G	86.4	Confident	89.8	Confident	25 Å²	25	13.3 Å²	13.3	26%	0.258	8%	0.076	S	C	.	.	G	3₁₀ helix	trans	53.6	-127.5	176.1	0	0	0	0	0	113.6	L33 G34 A62	G31-L33 PolarHBondContact O-N 3.15Å; G31-L33 VanDerWaalsContact O-N 3.12Å; G31-G34 PolarHBondContact O-N 3.45Å; G31-A62 WeakPolarHBondContact O-CB 3.32Å
32	F	84.6	Confident	91.7	Very high	13 Å²	13	11.7 Å²	11.7	6%	0.057	7%	0.065	C	C	.	.	G	3₁₀ helix	trans	-67	-8.7	-179.1	-69.4	-67.1	0	0	0	114.8	C30 G34 L86 V87 T90 P97 I104 F165 G251 M252 P255	C30-F32 PolarHBondContact O-N 3.46Å; F32-G34 PolarHBondContact O-N 2.78Å; F32-L86 HydrophobicContact CD1-CD2 4.16Å; F32-L86 HydrophobicContact CE1-CD2 3.61Å; F32-V87 HydrophobicContact CD1-CG2 3.99Å; F32-V87 HydrophobicContact CE1-CG2 4.41Å; F32-T90 HydrophobicContact CE1-CG2 4.37Å; F32-T90 HydrophobicContact CE2-CG2 4.26Å; F32-T90 HydrophobicContact CZ-CG2 3.63Å; F32-T90 WeakPolarHBondContact CZ-OG1 3.34Å; F32-P97 HydrophobicContact CE2-CB 4.12Å; F32-P97 HydrophobicContact CE2-CG 4.23Å; F32-P97 HydrophobicContact CZ-CB 4.28Å; F32-I104 HydrophobicContact CZ-CD1 4.28Å; F32-F165 HydrophobicContact CD2-CZ 4.5Å; F32-F165 HydrophobicContact CE2-CE2 4.39Å; F32-F165 AromaticContact CE2-CZ 3.62Å; F32-F165 HydrophobicContact CE2-CZ 3.62Å; F32-F165 HydrophobicContact CZ-CZ 4.1Å; F32-G251 WeakPolarHBondContact CB-O 3.39Å; F32-M252 PolarHBondContact N-O 2.99Å; F32-P255 HydrophobicContact CD1-CB 4.43Å; F32-P255 HydrophobicContact CG-CB 4.37Å
33	L	88.1	Confident	93	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	4%	0.038	C	C	.	.	G	3₁₀ helix	trans	-75	3.6	171.6	-55.9	-178.3	0	0	0	113.4	C30 G31 L35 Y36 P199 F200 R248 M252 M256 L264	C30-L33 HydrophobicContact CB-CB 3.95Å; C30-L33 HydrophobicContact CB-CD1 4.41Å; C30-L33 WeakPolarHBondContact O-CB 3.24Å; C30-L33 PolarHBondContact O-N 3.16Å; G31-L33 PolarHBondContact O-N 3.15Å; G31-L33 VanDerWaalsContact O-N 3.12Å; L33-L35 PolarHBondContact O-N 3.45Å; L33-Y36 VanDerWaalsContact O-CB 3.25Å; L33-Y36 WeakPolarHBondContact O-CB 3.19Å; L33-Y36 PolarHBondContact O-N 3.43Å; L33-P199 HydrophobicContact CB-CB 4.4Å; L33-P199 HydrophobicContact CB-CG 4.34Å; L33-P199 HydrophobicContact CD1-CB 4.22Å; L33-P199 HydrophobicContact CD1-CG 4.11Å; L33-F200 HydrophobicContact CD1-CE1 4.16Å; L33-F200 HydrophobicContact CD1-CZ 3.99Å; L33-R248 HydrophobicContact CD1-CB 3.88Å; L33-R248 HydrophobicContact CD1-CG 4.44Å; L33-R248 WeakPolarHBondContact CD1-O 3.5Å; L33-M252 HydrophobicContact CD1-CB 4.37Å; L33-M252 HydrophobicContact CG-CB 4.35Å; L33-M256 HydrophobicContact CD2-SD 3.79Å; L33-L264 HydrophobicContact CB-CD2 4.05Å; L33-L264 HydrophobicContact CD2-CD2 3.83Å
34	G	91.1	Very high	93.4	Very high	11 Å²	11	3.9 Å²	3.9	11%	0.113	3%	0.03	C	C	.	.	H	α-helix	trans	-54.5	-21.4	-178.1	0	0	0	0	0	115.4	G31 F32 Y36 H37 I38	G31-G34 PolarHBondContact O-N 3.45Å; F32-G34 PolarHBondContact O-N 2.78Å; G34-Y36 PolarHBondContact O-N 2.92Å; G34-H37 WeakPolarHBondContact O-CB 3.32Å; G34-H37 PolarHBondContact O-N 3.2Å; G34-I38 PolarHBondContact O-N 3.47Å; G34-I38 VanDerWaalsContact O-N 3.17Å
35	L	92.4	Very high	93.6	Very high	1 Å²	1	5.8 Å²	5.8	1%	0.005	4%	0.038	C	C	.	.	H	α-helix	trans	-64.2	-25.6	172.7	-76.3	176	0	0	0	113.4	L33 H37 I38 G39 V80 I83 L261 A265 I391	L33-L35 PolarHBondContact O-N 3.45Å; L35-H37 VanDerWaalsContact C-N 3.33Å; L35-I38 HydrophobicContact CD2-CG1 4.3Å; L35-I38 PolarHBondContact O-N 3.34Å; L35-G39 PolarHBondContact O-N 3.47Å; L35-G39 VanDerWaalsContact O-N 3.13Å; L35-V80 HydrophobicContact CD2-CG1 4.46Å; L35-V80 HydrophobicContact CD2-CG2 4.03Å; L35-I83 HydrophobicContact CD2-CB 4.48Å; L35-I83 HydrophobicContact CD2-CD1 4.34Å; L35-I83 HydrophobicContact CD2-CG2 4.05Å; L35-I83 HydrophobicContact CG-CG2 3.99Å; L35-L261 HydrophobicContact CD1-CB 3.71Å; L35-L261 HydrophobicContact CD1-CD1 4.2Å; L35-L261 HydrophobicContact CD1-CD2 4.08Å; L35-L261 HydrophobicContact CD1-CG 4.19Å; L35-A265 HydrophobicContact CB-CB 4.46Å; L35-A265 WeakPolarHBondContact O-CA 3.22Å; L35-I391 HydrophobicContact CD1-CD1 4.38Å; L35-I391 HydrophobicContact CD1-CG1 4.43Å; L35-I391 HydrophobicContact CD1-CG2 4.13Å; L35-I391 HydrophobicContact CD2-CD1 4.2Å; L35-I391 HydrophobicContact CD2-CG1 4.41Å
36	Y	94.8	Very high	93.5	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-56.6	-49.5	167.7	-178.5	-94.8	0	0	0	110.8	L33 G34 I38 G39 V40 V197 S198 P199 C207 P208 L264 Q267 D271	L33-Y36 VanDerWaalsContact O-CB 3.25Å; L33-Y36 WeakPolarHBondContact O-CB 3.19Å; L33-Y36 PolarHBondContact O-N 3.43Å; G34-Y36 PolarHBondContact O-N 2.92Å; Y36-I38 VanDerWaalsContact C-N 3.3Å; Y36-I38 PolarHBondContact O-N 3.44Å; Y36-G39 PolarHBondContact O-N 3.22Å; Y36-G39 VanDerWaalsContact O-N 3.13Å; Y36-V40 HydrophobicContact CD1-CG2 4.1Å; Y36-V40 HydrophobicContact CE1-CG2 3.72Å; Y36-V40 PolarHBondContact O-N 3.01Å; Y36-V40 VanDerWaalsContact O-N 3.08Å; Y36-V197 HydrophobicContact CE1-CG1 4.25Å; Y36-S198 WeakPolarHBondContact CE1-O 3.24Å; Y36-P199 HydrophobicContact CD1-CB 3.65Å; Y36-P199 HydrophobicContact CD2-CB 4.21Å; Y36-P199 HydrophobicContact CE1-CB 4.26Å; Y36-P199 HydrophobicContact CG-CB 3.63Å; Y36-C207 WeakPolarHBondContact OH-CA 3.33Å; Y36-P208 HydrophobicContact CE2-CG 3.75Å; Y36-P208 WeakPolarHBondContact OH-CD 3.31Å; Y36-L264 HydrophobicContact CD2-CD1 4.11Å; Y36-Q267 HydrophobicContact CE2-CG 4.22Å; Y36-D271 WeakPolarHBondContact CE2-OD2 3.37Å; Y36-D271 WeakPolarHBondContact OH-CB 3.35Å; Y36-D271 PolarHBondContact OH-OD2 3.2Å
37	H	96.5	Very high	93.4	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-65.1	-34	-179.9	-67.6	-44.6	0	0	0	112.2	F27 A28 C30 G34 L35 G39 V40 C41 A66	F27-H37 HydrophobicContact CD1-CB 4.3Å; F27-H37 AromaticContact CD1-ND1 3.59Å; A28-H37 PolarHBondContact O-NE2 3.02Å; C30-H37 VanDerWaalsContact SG-CD2 3.51Å; C30-H37 PolarHBondContact SG-NE2 2.86Å; G34-H37 WeakPolarHBondContact O-CB 3.32Å; G34-H37 PolarHBondContact O-N 3.2Å; L35-H37 VanDerWaalsContact C-N 3.33Å; H37-G39 VanDerWaalsContact C-N 3.34Å; H37-V40 PolarHBondContact O-N 3.13Å; H37-C41 WeakPolarHBondContact O-CB 3.3Å; H37-C41 PolarHBondContact O-N 3.16Å; H37-C41 PolarHBondContact O-SG 2.68Å; H37-A66 HydrophobicContact CB-CB 3.59Å
38	I	95.7	Very high	93.1	Very high	5 Å²	5	11.8 Å²	11.8	3%	0.026	6%	0.061	C	C	.	.	H	α-helix	trans	-60.9	-44.5	172.7	-64.3	-62.3	0	0	0	111.1	G34 L35 Y36 V40 C41 C42 M76 C79 V80 I83	G34-I38 PolarHBondContact O-N 3.47Å; G34-I38 VanDerWaalsContact O-N 3.17Å; L35-I38 HydrophobicContact CD2-CG1 4.3Å; L35-I38 PolarHBondContact O-N 3.34Å; Y36-I38 VanDerWaalsContact C-N 3.3Å; Y36-I38 PolarHBondContact O-N 3.44Å; I38-V40 VanDerWaalsContact C-N 3.34Å; I38-V40 PolarHBondContact O-N 2.85Å; I38-C41 PolarHBondContact O-N 2.69Å; I38-C42 PolarHBondContact O-N 3.02Å; I38-C42 PolarHBondContact O-SG 3.43Å; I38-M76 HydrophobicContact CD1-SD 4.17Å; I38-M76 HydrophobicContact CG2-SD 4.28Å; I38-C79 HydrophobicContact CD1-CB 4.23Å; I38-V80 HydrophobicContact CG2-CG2 3.66Å; I38-I83 HydrophobicContact CD1-CD1 3.94Å; I38-I83 HydrophobicContact CG1-CD1 3.71Å
39	G	96.1	Very high	93	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-56	-48.1	174.2	0	0	0	0	0	112.4	L35 Y36 H37 C41 C42 C43 A265 Y269	L35-G39 PolarHBondContact O-N 3.47Å; L35-G39 VanDerWaalsContact O-N 3.13Å; Y36-G39 PolarHBondContact O-N 3.22Å; Y36-G39 VanDerWaalsContact O-N 3.13Å; H37-G39 VanDerWaalsContact C-N 3.34Å; G39-C41 PolarHBondContact O-N 3.18Å; G39-C42 PolarHBondContact O-N 3.41Å; G39-C43 PolarHBondContact O-N 2.81Å; G39-A265 VanDerWaalsContact CA-O 3.31Å; G39-A265 WeakPolarHBondContact CA-O 3.49Å; G39-Y269 WeakPolarHBondContact O-CA 3.47Å
40	V	97.3	Very high	92.8	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-58.6	-47.9	175	174.9	0	0	0	0	111.1	F27 Y36 H37 I38 C42 C43 I44 V197 I206 G268 A272	F27-V40 HydrophobicContact CE1-CG1 3.98Å; Y36-V40 HydrophobicContact CD1-CG2 4.1Å; Y36-V40 HydrophobicContact CE1-CG2 3.72Å; Y36-V40 PolarHBondContact O-N 3.01Å; Y36-V40 VanDerWaalsContact O-N 3.08Å; H37-V40 PolarHBondContact O-N 3.13Å; I38-V40 VanDerWaalsContact C-N 3.34Å; I38-V40 PolarHBondContact O-N 2.85Å; V40-C42 VanDerWaalsContact C-N 3.35Å; V40-C42 PolarHBondContact O-N 3.09Å; V40-C43 PolarHBondContact O-N 3.31Å; V40-I44 HydrophobicContact CG1-CD1 3.64Å; V40-I44 HydrophobicContact CG1-CG1 4.29Å; V40-I44 WeakPolarHBondContact O-CG1 3.37Å; V40-I44 PolarHBondContact O-N 2.77Å; V40-V197 HydrophobicContact CB-CG1 4.23Å; V40-V197 HydrophobicContact CG1-CG1 3.85Å; V40-V197 HydrophobicContact CG1-CG2 4.29Å; V40-V197 HydrophobicContact CG2-CG1 3.84Å; V40-I206 HydrophobicContact CG1-CD1 4.3Å; V40-I206 HydrophobicContact CG1-CG2 4.32Å; V40-I206 HydrophobicContact CG2-CG2 3.97Å; V40-G268 VanDerWaalsContact CG2-O 3.22Å; V40-G268 WeakPolarHBondContact CG2-O 3.5Å; V40-A272 HydrophobicContact CB-CB 4.27Å; V40-A272 HydrophobicContact CG1-CB 3.95Å; V40-A272 HydrophobicContact CG2-CB 4.31Å
41	C	97.1	Very high	92.9	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-61.7	-41.4	-179.5	-68.2	0	0	0	0	111.9	H37 I38 G39 C43 I44 K45 L70 M76	H37-C41 WeakPolarHBondContact O-CB 3.3Å; H37-C41 PolarHBondContact O-N 3.16Å; H37-C41 PolarHBondContact O-SG 2.68Å; I38-C41 PolarHBondContact O-N 2.69Å; G39-C41 PolarHBondContact O-N 3.18Å; C41-C43 VanDerWaalsContact C-N 3.33Å; C41-C43 PolarHBondContact O-N 2.86Å; C41-I44 PolarHBondContact O-N 2.73Å; C41-K45 WeakPolarHBondContact O-CB 3.5Å; C41-K45 WeakPolarHBondContact O-CG 3.46Å; C41-K45 PolarHBondContact O-N 2.77Å; C41-L70 HydrophobicContact CB-CD1 4.37Å; C41-L70 HydrophobicContact CB-CD2 3.8Å; C41-L70 HydrophobicContact CB-CG 4.05Å; C41-L70 VanDerWaalsContact SG-CD1 3.59Å; C41-L70 VanDerWaalsContact SG-CG 3.59Å; C41-M76 HydrophobicContact CB-CE 3.53Å; C41-M76 HydrophobicContact CB-SD 4.05Å
42	C	96.1	Very high	93.1	Very high	11 Å²	11	13.2 Å²	13.2	7%	0.074	6%	0.061	C	C	.	.	H	α-helix	trans	-59	-45	175.9	-68.8	0	0	0	0	111.5	I38 G39 V40 R46 Y269 L383 L387	I38-C42 PolarHBondContact O-N 3.02Å; I38-C42 PolarHBondContact O-SG 3.43Å; G39-C42 PolarHBondContact O-N 3.41Å; V40-C42 VanDerWaalsContact C-N 3.35Å; V40-C42 PolarHBondContact O-N 3.09Å; C42-R46 WeakPolarHBondContact O-CB 3.42Å; C42-R46 PolarHBondContact O-N 2.94Å; C42-R46 VanDerWaalsContact O-N 3.16Å; C42-Y269 HydrophobicContact CB-CD2 4.1Å; C42-Y269 HydrophobicContact CB-CE2 4.38Å; C42-L383 HydrophobicContact CB-CD1 4.21Å; C42-L387 WeakPolarHBondContact SG-CD1 3.08Å
43	C	96.1	Very high	93.4	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-64.1	-48.1	178	-174.9	0	0	0	0	111.8	G39 V40 C41 R46 F47 Y269 A272 L273	G39-C43 PolarHBondContact O-N 2.81Å; V40-C43 PolarHBondContact O-N 3.31Å; C41-C43 VanDerWaalsContact C-N 3.33Å; C41-C43 PolarHBondContact O-N 2.86Å; C43-R46 PolarHBondContact O-N 3.16Å; C43-F47 PolarHBondContact O-N 3.12Å; C43-Y269 HydrophobicContact CB-CD2 3.66Å; C43-Y269 HydrophobicContact CB-CE2 3.83Å; C43-Y269 HydrophobicContact CB-CG 4.09Å; C43-A272 HydrophobicContact CB-CB 3.78Å; C43-L273 WeakPolarHBondContact SG-CA 3.37Å; C43-L273 PolarHBondContact SG-N 3.42Å
44	I	95.5	Very high	93.3	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.4	-45.6	178.9	-68.5	174.5	0	0	0	111.3	L25 F27 V40 C41 R46 A48 L51 Y52 I206	L25-I44 HydrophobicContact CD1-CD1 4.07Å; L25-I44 HydrophobicContact CD1-CG2 4.19Å; L25-I44 HydrophobicContact CD2-CD1 3.9Å; F27-I44 HydrophobicContact CZ-CD1 4.48Å; V40-I44 HydrophobicContact CG1-CD1 3.64Å; V40-I44 HydrophobicContact CG1-CG1 4.29Å; V40-I44 WeakPolarHBondContact O-CG1 3.37Å; V40-I44 PolarHBondContact O-N 2.77Å; C41-I44 PolarHBondContact O-N 2.73Å; I44-R46 PolarHBondContact O-N 3.35Å; I44-A48 CarbonylContact O-C 3.56Å; I44-A48 WeakPolarHBondContact O-CA 3.05Å; I44-A48 PolarHBondContact O-N 2.85Å; I44-L51 HydrophobicContact CG2-CB 4.44Å; I44-Y52 HydrophobicContact CG2-CD1 3.86Å; I44-Y52 HydrophobicContact CG2-CE1 4.36Å; I44-I206 HydrophobicContact CD1-CD1 4.44Å
45	K	94.8	Very high	93.3	Very high	50 Å²	50	25.3 Å²	25.3	22%	0.217	12%	0.119	C	C	.	.	H	α-helix	trans	-56.9	-38	176.4	-76.6	-172.5	70.5	147.8	0	111.8	C41 Y52 L70 D73 L74 M76	C41-K45 WeakPolarHBondContact O-CB 3.5Å; C41-K45 WeakPolarHBondContact O-CG 3.46Å; C41-K45 PolarHBondContact O-N 2.77Å; K45-Y52 HydrophobicContact CG-CE1 4.04Å; K45-L70 HydrophobicContact CD-CD2 4.03Å; K45-L70 HydrophobicContact CG-CD2 3.61Å; K45-D73 WeakPolarHBondContact CE-OD1 3.41Å; K45-D73 PolarHBondContact NZ-O 3.3Å; K45-D73 IonicContact NZ-OD1 2.71Å; K45-D73 PolarHBondContact NZ-OD1 3.36Å; K45-L74 PolarHBondContact NZ-O 3.31Å; K45-M76 HydrophobicContact CD-CE 3.37Å; K45-M76 HydrophobicContact CD-CG 4.35Å; K45-M76 HydrophobicContact CG-CE 4.34Å
46	R	93.6	Very high	93.3	Very high	121 Å²	121	27.3 Å²	27.3	46%	0.457	13%	0.132	S	C	.	.	H	α-helix	trans	-75.9	-45.3	-176.6	-172.7	172.7	179.8	167.4	3	113.5	C42 C43 I44 Y269	C42-R46 WeakPolarHBondContact O-CB 3.42Å; C42-R46 PolarHBondContact O-N 2.94Å; C42-R46 VanDerWaalsContact O-N 3.16Å; C43-R46 PolarHBondContact O-N 3.16Å; I44-R46 PolarHBondContact O-N 3.35Å; R46-Y269 PolarHBondContact NH1-OH 2.74Å
47	F	92.9	Very high	93.4	Very high	5 Å²	5	27.3 Å²	27.3	2%	0.022	13%	0.132	C	C	.	.	H	α-helix	trans	-113.8	-23.6	-169	-61.9	-65.3	0	0	0	115.2	C43 P49 Y269 L273 L276 I282 A378 S381	C43-F47 PolarHBondContact O-N 3.12Å; F47-P49 VanDerWaalsContact C-CD 3.48Å; F47-Y269 WeakPolarHBondContact CE2-OH 3.49Å; F47-L273 HydrophobicContact CD2-CD1 4.11Å; F47-L273 HydrophobicContact CE2-CD1 4.05Å; F47-L276 HydrophobicContact CB-CD1 4.22Å; F47-I282 HydrophobicContact CB-CD1 4.13Å; F47-I282 HydrophobicContact CB-CG1 4.22Å; F47-I282 HydrophobicContact CG-CD1 4.27Å; F47-A378 HydrophobicContact CD1-CB 3.94Å; F47-A378 HydrophobicContact CE1-CB 3.77Å; F47-A378 HydrophobicContact CE2-CB 4.39Å; F47-A378 HydrophobicContact CG-CB 4.35Å; F47-A378 HydrophobicContact CZ-CB 4.02Å; F47-S381 VanDerWaalsContact CE2-OG 3.23Å; F47-S381 WeakPolarHBondContact CE2-OG 3.45Å; F47-S381 VanDerWaalsContact CZ-OG 3.29Å; F47-S381 WeakPolarHBondContact CZ-OG 3.3Å
48	A	91.5	Very high	93.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.132	C	C	.	.			trans	-136.3	53.4	-174.4	0	0	0	0	0	113.1	I44 H50 L51 L276	I44-A48 CarbonylContact O-C 3.56Å; I44-A48 WeakPolarHBondContact O-CA 3.05Å; I44-A48 PolarHBondContact O-N 2.85Å; A48-H50 PolarHBondContact O-N 3.2Å; A48-H50 VanDerWaalsContact O-N 3.16Å; A48-L51 HydrophobicContact CB-CD1 3.65Å; A48-L51 HydrophobicContact CB-CG 3.94Å; A48-L51 WeakPolarHBondContact O-CB 3.41Å; A48-L51 PolarHBondContact O-N 2.94Å; A48-L276 HydrophobicContact CB-CD1 3.88Å; A48-L276 HydrophobicContact CB-CD2 3.64Å; A48-L276 HydrophobicContact CB-CG 4.4Å
49	P	91.4	Very high	93.4	Very high	24 Å²	24	27 Å²	27	16%	0.156	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-61.1	-28	-178.2	25	-34.6	0	0	0	113.4	F47 L51 Y52 Q53	F47-P49 VanDerWaalsContact C-CD 3.48Å; P49-L51 PolarHBondContact O-N 3.15Å; P49-Y52 HydrophobicContact CB-CE1 4.09Å; P49-Y52 WeakPolarHBondContact O-CD1 3.29Å; P49-Y52 PolarHBondContact O-N 3.06Å; P49-Y52 VanDerWaalsContact O-N 3.15Å; P49-Q53 HydrophobicContact CB-CG 4.29Å; P49-Q53 WeakPolarHBondContact O-CB 3.48Å; P49-Q53 WeakPolarHBondContact O-CG 3.3Å; P49-Q53 PolarHBondContact O-N 3.01Å
50	H	87.5	Confident	93.4	Very high	27 Å²	27	27 Å²	27	13%	0.125	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-61.7	-10.5	174.4	65.1	-90.1	0	0	0	114.3	A48 K55 F281 L363	A48-H50 PolarHBondContact O-N 3.2Å; A48-H50 VanDerWaalsContact O-N 3.16Å; H50-K55 WeakPolarHBondContact O-CD 3.13Å; H50-K55 WeakPolarHBondContact O-CE 3.43Å; H50-K55 PolarHBondContact O-NZ 3.24Å; H50-F281 PolarHBondContact CE1-O 3.36Å; H50-F281 AromaticContact NE2-CD1 3.74Å; H50-L363 VanDerWaalsContact CE1-CD1 3.43Å; H50-L363 WeakPolarHBondContact CE1-CD1 3.45Å; H50-L363 WeakPolarHBondContact NE2-CD1 3.33Å
51	L	90.7	Very high	93.2	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.01	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-80.8	-20.6	175.5	-66.3	-179.8	0	0	0	113.3	H23 L25 I44 A48 P49 I195 L276 F281	H23-L51 HydrophobicContact CB-CD2 3.94Å; L25-L51 HydrophobicContact CD1-CB 4.04Å; L25-L51 HydrophobicContact CG-CB 4.33Å; I44-L51 HydrophobicContact CG2-CB 4.44Å; A48-L51 HydrophobicContact CB-CD1 3.65Å; A48-L51 HydrophobicContact CB-CG 3.94Å; A48-L51 WeakPolarHBondContact O-CB 3.41Å; A48-L51 PolarHBondContact O-N 2.94Å; P49-L51 PolarHBondContact O-N 3.15Å; L51-I195 HydrophobicContact CD1-CD1 4.07Å; L51-I195 HydrophobicContact CD2-CD1 3.93Å; L51-L276 HydrophobicContact CD1-CD2 3.66Å; L51-F281 HydrophobicContact CD2-CD1 3.99Å; L51-F281 HydrophobicContact CD2-CE1 3.89Å; L51-F281 HydrophobicContact CD2-CZ 4.41Å
52	Y	92.1	Very high	93	Very high	7 Å²	7	27.9 Å²	27.9	3%	0.027	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.9	-26.1	-178.8	76.6	-90	0	0	0	114	I44 K45 P49 N54 K55 L70 D73 R127	I44-Y52 HydrophobicContact CG2-CD1 3.86Å; I44-Y52 HydrophobicContact CG2-CE1 4.36Å; K45-Y52 HydrophobicContact CG-CE1 4.04Å; P49-Y52 HydrophobicContact CB-CE1 4.09Å; P49-Y52 WeakPolarHBondContact O-CD1 3.29Å; P49-Y52 PolarHBondContact O-N 3.06Å; P49-Y52 VanDerWaalsContact O-N 3.15Å; Y52-N54 PolarHBondContact O-N 2.78Å; Y52-K55 PolarHBondContact O-N 3.16Å; Y52-L70 HydrophobicContact CD1-CD2 4.33Å; Y52-L70 HydrophobicContact CD2-CB 4.17Å; Y52-L70 VanDerWaalsContact CD2-O 3.27Å; Y52-L70 WeakPolarHBondContact CD2-O 3.41Å; Y52-L70 HydrophobicContact CE1-CD2 4.36Å; Y52-L70 WeakPolarHBondContact CE2-O 3.37Å; Y52-L70 HydrophobicContact CG-CB 4.34Å; Y52-L70 HydrophobicContact CG-CD2 4.48Å; Y52-D73 PolarHBondContact OH-OD1 2.84Å; Y52-R127 PolarHBondContact O-NH2 3.42Å
53	Q	89.6	Confident	93	Very high	92 Å²	92	27.3 Å²	27.3	43%	0.43	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	122.6	177.5	-73.7	-178.8	-13.4	0	0	110.1	P49 K55	P49-Q53 HydrophobicContact CB-CG 4.29Å; P49-Q53 WeakPolarHBondContact O-CB 3.48Å; P49-Q53 WeakPolarHBondContact O-CG 3.3Å; P49-Q53 PolarHBondContact O-N 3.01Å; Q53-K55 PolarHBondContact O-N 2.75Å; Q53-K55 VanDerWaalsContact O-N 3.12Å
54	N	86.7	Confident	93.1	Very high	147 Å²	147	27.3 Å²	27.3	79%	0.786	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	22.9	-176.7	-54.9	-34.2	0	0	0	114.7	Y52	Y52-N54 PolarHBondContact O-N 2.78Å
55	K	90.5	Very high	93.1	Very high	39 Å²	39	29.3 Å²	29.3	17%	0.17	14%	0.144	C	C	.	.	S	Bend	trans	-122.2	154.7	178.8	-65.7	-169.8	-173.8	173.1	0	112.5	S21 H23 H50 Y52 Q53	S21-K55 VanDerWaalsContact O-CE 3.24Å; S21-K55 WeakPolarHBondContact O-CE 3.42Å; S21-K55 PolarHBondContact O-NZ 3.3Å; H23-K55 VanDerWaalsContact O-CD 3.29Å; H23-K55 WeakPolarHBondContact O-CD 3.25Å; H50-K55 WeakPolarHBondContact O-CD 3.13Å; H50-K55 WeakPolarHBondContact O-CE 3.43Å; H50-K55 PolarHBondContact O-NZ 3.24Å; Y52-K55 PolarHBondContact O-N 3.16Å; Q53-K55 PolarHBondContact O-N 2.75Å; Q53-K55 VanDerWaalsContact O-N 3.12Å
56	P	93.3	Very high	93.2	Very high	43 Å²	43	27.1 Å²	27.1	28%	0.279	14%	0.135	S	C	.	.			trans	-61	134.8	168.4	-24.8	34.5	0	0	0	113.1	N24 R127 I190	N24-P56 WeakPolarHBondContact CB-O 3.42Å; N24-P56 VanDerWaalsContact OD1-CD 3.3Å; N24-P56 WeakPolarHBondContact OD1-CD 3.2Å; N24-P56 PolarHBondContact OD1-O 3.21Å; P56-R127 CarbonylContact C-O 3.49Å; P56-R127 VanDerWaalsContact CA-O 3.3Å; P56-R127 WeakPolarHBondContact CA-O 3.43Å; P56-I190 HydrophobicContact CB-CD1 3.78Å
57	V	96	Very high	93.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	131.9	171.3	-173.7	0	0	0	0	107.5	L25 F27 A67 V71 R127 L128 S129	L25-V57 HydrophobicContact CB-CG1 4.03Å; L25-V57 HydrophobicContact CB-CG2 4.49Å; L25-V57 CarbonylContact O-C 3.34Å; L25-V57 WeakPolarHBondContact O-CA 3.33Å; F27-V57 HydrophobicContact CD2-CG1 3.99Å; F27-V57 HydrophobicContact CE2-CG1 3.76Å; V57-A67 HydrophobicContact CB-CB 4.49Å; V57-A67 HydrophobicContact CG1-CB 3.58Å; V57-V71 HydrophobicContact CB-CG2 3.77Å; V57-V71 HydrophobicContact CG2-CG2 3.78Å; V57-R127 PolarHBondContact N-O 3.28Å; V57-R127 VanDerWaalsContact O-O 3.1Å; V57-L128 WeakPolarHBondContact O-CA 3.41Å; V57-S129 PolarHBondContact O-N 3.24Å
58	S	96.2	Very high	93.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	156.5	175	47.9	0	0	0	0	112	L25 S26 F27 S129 L188	L25-S58 PolarHBondContact O-N 3.26Å; L25-S58 PolarHBondContact O-OG 2.94Å; S26-S58 WeakPolarHBondContact CA-O 3.43Å; S26-S58 WeakPolarHBondContact CA-OG 3.29Å; S26-S58 WeakPolarHBondContact CB-OG 3.25Å; S26-S58 PolarHBondContact OG-OG 2.92Å; S26-S58 VanDerWaalsContact OG-OG 3.14Å; F27-S58 PolarHBondContact N-O 2.99Å; S58-S129 CarbonylContact C-O 3.59Å; S58-S129 WeakPolarHBondContact CA-O 3.41Å; S58-L188 PolarHBondContact OG-O 3.44Å
59	G	96.5	Very high	93.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	166.9	169.3	0	0	0	0	0	113.1	F27 S129 S131	F27-G59 VanDerWaalsContact O-CA 3.3Å; F27-G59 WeakPolarHBondContact O-CA 3.06Å; G59-S129 PolarHBondContact N-O 2.92Å; G59-S131 PolarHBondContact O-N 3.43Å; G59-S131 VanDerWaalsContact O-N 3.09Å
60	T	95.1	Very high	94	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.11	C	C	.	.			trans	-131.3	136	178.2	-53.7	0	0	0	0	109.3	F27 G29 A62 G63 A64 S131 N185 N186	F27-T60 PolarHBondContact O-N 3.37Å; G29-T60 WeakPolarHBondContact CA-O 3.12Å; G29-T60 PolarHBondContact N-O 3.47Å; T60-A62 PolarHBondContact O-N 2.9Å; T60-G63 VanDerWaalsContact O-CA 3.3Å; T60-G63 WeakPolarHBondContact O-CA 3.36Å; T60-G63 PolarHBondContact O-N 3.02Å; T60-A64 PolarHBondContact O-N 3.41Å; T60-S131 WeakPolarHBondContact OG1-CB 3.27Å; T60-N185 PolarHBondContact OG1-O 3.22Å; T60-N186 VanDerWaalsContact CB-O 3.3Å; T60-N186 WeakPolarHBondContact CB-O 3.39Å; T60-N186 PolarHBondContact OG1-O 3.05Å; T60-N186 VanDerWaalsContact OG1-O 3.05Å
61	S	94	Very high	94.4	Very high	6 Å²	6	19.6 Å²	19.6	4%	0.042	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	-128.9	174.9	-166.4	0	0	0	0	111.9	G63 A64 L65 S159 D180	S61-G63 PolarHBondContact O-N 3.44Å; S61-G63 VanDerWaalsContact O-N 3.14Å; S61-A64 WeakPolarHBondContact O-CA 3.34Å; S61-A64 VanDerWaalsContact O-CB 3.29Å; S61-A64 WeakPolarHBondContact O-CB 3.27Å; S61-A64 PolarHBondContact O-N 3.22Å; S61-L65 PolarHBondContact O-N 3.44Å; S61-S159 VanDerWaalsContact CA-O 3.25Å; S61-S159 WeakPolarHBondContact CA-O 3.22Å; S61-S159 WeakPolarHBondContact CB-O 3.36Å; S61-S159 PolarHBondContact N-O 2.96Å; S61-S159 PolarHBondContact N-OG 2.91Å; S61-D180 WeakPolarHBondContact CB-OD2 3.21Å; S61-D180 PolarHBondContact OG-OD2 3.42Å
62	A	93.3	Very high	94.7	Very high	11 Å²	11	20.1 Å²	20.1	9%	0.091	11%	0.109	C	C	.	.	H	α-helix	trans	-52.6	-31.9	172.9	0	0	0	0	0	114.2	G31 T60 L65 A66	G31-A62 WeakPolarHBondContact O-CB 3.32Å; T60-A62 PolarHBondContact O-N 2.9Å; A62-L65 WeakPolarHBondContact O-CB 3.46Å; A62-L65 PolarHBondContact O-N 2.73Å; A62-A66 PolarHBondContact O-N 2.99Å; A62-A66 VanDerWaalsContact O-N 3.16Å
63	G	96.3	Very high	94.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-69.1	-33.1	172.7	0	0	0	0	0	113.3	F27 A28 T60 S61 L65 A66 A67	F27-G63 WeakPolarHBondContact CB-O 3.3Å; A28-G63 WeakPolarHBondContact O-CA 3.29Å; A28-G63 PolarHBondContact O-N 3.49Å; T60-G63 VanDerWaalsContact O-CA 3.3Å; T60-G63 WeakPolarHBondContact O-CA 3.36Å; T60-G63 PolarHBondContact O-N 3.02Å; S61-G63 PolarHBondContact O-N 3.44Å; S61-G63 VanDerWaalsContact O-N 3.14Å; G63-L65 VanDerWaalsContact C-N 3.33Å; G63-A66 PolarHBondContact O-N 3Å; G63-A67 WeakPolarHBondContact O-CB 3.4Å; G63-A67 PolarHBondContact O-N 3.36Å
64	A	97.1	Very high	95	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-66.4	-36.8	173.4	0	0	0	0	0	111.5	T60 S61 A67 A68 I130 L156	T60-A64 PolarHBondContact O-N 3.41Å; S61-A64 WeakPolarHBondContact O-CA 3.34Å; S61-A64 VanDerWaalsContact O-CB 3.29Å; S61-A64 WeakPolarHBondContact O-CB 3.27Å; S61-A64 PolarHBondContact O-N 3.22Å; A64-A67 PolarHBondContact O-N 2.89Å; A64-A68 WeakPolarHBondContact O-CB 3.33Å; A64-A68 PolarHBondContact O-N 2.79Å; A64-I130 HydrophobicContact CB-CG1 4.36Å; A64-I130 HydrophobicContact CB-CG2 4.22Å; A64-L156 HydrophobicContact CB-CD2 3.84Å; A64-L156 WeakPolarHBondContact O-CD2 3.1Å
65	L	96.4	Very high	95.3	Very high	41 Å²	41	18 Å²	18	22%	0.215	10%	0.101	C	C	.	.	H	α-helix	trans	-61.9	-48	172.8	-58.8	174.5	0	0	0	110.7	S61 A62 G63 A67 A68 C69 L108 L112 L156	S61-L65 PolarHBondContact O-N 3.44Å; A62-L65 WeakPolarHBondContact O-CB 3.46Å; A62-L65 PolarHBondContact O-N 2.73Å; G63-L65 VanDerWaalsContact C-N 3.33Å; L65-A67 PolarHBondContact O-N 3.37Å; L65-A68 PolarHBondContact O-N 3.05Å; L65-C69 PolarHBondContact O-N 2.86Å; L65-C69 PolarHBondContact O-SG 3.42Å; L65-L108 HydrophobicContact CD1-CD2 4.12Å; L65-L112 HydrophobicContact CD2-CD1 4.15Å; L65-L112 HydrophobicContact CD2-CD2 3.87Å; L65-L112 HydrophobicContact CD2-CG 4.42Å; L65-L156 HydrophobicContact CD2-CB 4.09Å; L65-L156 HydrophobicContact CD2-CD1 4.44Å; L65-L156 HydrophobicContact CD2-CD2 4.24Å; L65-L156 HydrophobicContact CD2-CG 4.49Å
66	A	96.9	Very high	95.4	Very high	4 Å²	4	16.8 Å²	16.8	3%	0.033	10%	0.096	C	C	.	.	H	α-helix	trans	-61.4	-41.8	176.6	0	0	0	0	0	112.6	F27 H37 A62 G63 A68 C69 L70	F27-A66 HydrophobicContact CD1-CB 4.41Å; H37-A66 HydrophobicContact CB-CB 3.59Å; A62-A66 PolarHBondContact O-N 2.99Å; A62-A66 VanDerWaalsContact O-N 3.16Å; G63-A66 PolarHBondContact O-N 3Å; A66-A68 PolarHBondContact O-N 3.16Å; A66-C69 WeakPolarHBondContact O-CB 3.4Å; A66-C69 PolarHBondContact O-N 3.26Å; A66-L70 PolarHBondContact O-N 3.18Å; A66-L70 VanDerWaalsContact O-N 3.08Å
67	A	97.2	Very high	95.4	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-59.9	-44	174.2	0	0	0	0	0	111.9	F27 V57 G63 A64 L65 C69 L70 V71 L128	F27-A67 HydrophobicContact CD2-CB 4.14Å; V57-A67 HydrophobicContact CB-CB 4.49Å; V57-A67 HydrophobicContact CG1-CB 3.58Å; G63-A67 WeakPolarHBondContact O-CB 3.4Å; G63-A67 PolarHBondContact O-N 3.36Å; A64-A67 PolarHBondContact O-N 2.89Å; L65-A67 PolarHBondContact O-N 3.37Å; A67-C69 VanDerWaalsContact C-N 3.35Å; A67-C69 PolarHBondContact O-N 3.39Å; A67-L70 PolarHBondContact O-N 3.15Å; A67-V71 WeakPolarHBondContact O-CG2 3.42Å; A67-V71 PolarHBondContact O-N 3.41Å; A67-L128 HydrophobicContact CB-CD1 3.57Å
68	A	97	Very high	95.2	Very high	2 Å²	2	19 Å²	19	2%	0.017	11%	0.108	C	C	.	.	H	α-helix	trans	-62.5	-41	175.6	0	0	0	0	0	112	A64 L65 A66 L70 V71 C72 L128 L156	A64-A68 WeakPolarHBondContact O-CB 3.33Å; A64-A68 PolarHBondContact O-N 2.79Å; L65-A68 PolarHBondContact O-N 3.05Å; A66-A68 PolarHBondContact O-N 3.16Å; A68-L70 VanDerWaalsContact C-N 3.32Å; A68-L70 PolarHBondContact O-N 3.06Å; A68-V71 PolarHBondContact O-N 2.95Å; A68-C72 WeakPolarHBondContact O-CB 3.36Å; A68-C72 PolarHBondContact O-N 3.15Å; A68-C72 PolarHBondContact O-SG 3.12Å; A68-C72 VanDerWaalsContact O-SG 3.39Å; A68-L128 HydrophobicContact CB-CD2 3.9Å; A68-L156 HydrophobicContact CB-CD1 3.99Å; A68-L156 HydrophobicContact CB-CD2 4.18Å
69	C	95.9	Very high	95	Very high	13 Å²	13	19.2 Å²	19.2	9%	0.088	11%	0.109	C	C	.	.	H	α-helix	trans	-58.5	-41.5	174.7	-65.2	0	0	0	0	112.4	L65 A66 A67 D73 L74 M76	L65-C69 PolarHBondContact O-N 2.86Å; L65-C69 PolarHBondContact O-SG 3.42Å; A66-C69 WeakPolarHBondContact O-CB 3.4Å; A66-C69 PolarHBondContact O-N 3.26Å; A67-C69 VanDerWaalsContact C-N 3.35Å; A67-C69 PolarHBondContact O-N 3.39Å; C69-D73 PolarHBondContact O-N 3.25Å; C69-L74 HydrophobicContact CB-CD1 4.37Å; C69-L74 PolarHBondContact O-N 3.08Å; C69-M76 HydrophobicContact CB-CE 4.39Å
70	L	95.9	Very high	94.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-69.8	-47.5	175.9	-75.6	177.8	0	0	0	112.4	L25 F27 C41 K45 Y52 A66 A67 A68 C72 D73 M76	L25-L70 HydrophobicContact CD1-CD1 4.29Å; F27-L70 HydrophobicContact CE2-CD1 3.66Å; F27-L70 HydrophobicContact CZ-CD1 3.43Å; F27-L70 VanDerWaalsContact CZ-CD1 3.43Å; C41-L70 HydrophobicContact CB-CD1 4.37Å; C41-L70 HydrophobicContact CB-CD2 3.8Å; C41-L70 HydrophobicContact CB-CG 4.05Å; C41-L70 VanDerWaalsContact SG-CD1 3.59Å; C41-L70 VanDerWaalsContact SG-CG 3.59Å; K45-L70 HydrophobicContact CD-CD2 4.03Å; K45-L70 HydrophobicContact CG-CD2 3.61Å; Y52-L70 HydrophobicContact CD1-CD2 4.33Å; Y52-L70 HydrophobicContact CD2-CB 4.17Å; Y52-L70 VanDerWaalsContact CD2-O 3.27Å; Y52-L70 WeakPolarHBondContact CD2-O 3.41Å; Y52-L70 HydrophobicContact CE1-CD2 4.36Å; Y52-L70 WeakPolarHBondContact CE2-O 3.37Å; Y52-L70 HydrophobicContact CG-CB 4.34Å; Y52-L70 HydrophobicContact CG-CD2 4.48Å; A66-L70 PolarHBondContact O-N 3.18Å; A66-L70 VanDerWaalsContact O-N 3.08Å; A67-L70 PolarHBondContact O-N 3.15Å; A68-L70 VanDerWaalsContact C-N 3.32Å; A68-L70 PolarHBondContact O-N 3.06Å; L70-C72 VanDerWaalsContact C-N 3.32Å; L70-C72 PolarHBondContact O-N 3.22Å; L70-D73 PolarHBondContact O-N 3.21Å; L70-D73 VanDerWaalsContact O-N 3.08Å; L70-M76 HydrophobicContact CD2-CE 4.17Å
71	V	96.3	Very high	94.6	Very high	5 Å²	5	24.9 Å²	24.9	3%	0.03	13%	0.13	C	C	.	.	H	α-helix	trans	-64.8	-37.7	-175.8	172.1	0	0	0	0	111.9	V57 A67 A68 D73 L123 R127 L128	V57-V71 HydrophobicContact CB-CG2 3.77Å; V57-V71 HydrophobicContact CG2-CG2 3.78Å; A67-V71 WeakPolarHBondContact O-CG2 3.42Å; A67-V71 PolarHBondContact O-N 3.41Å; A68-V71 PolarHBondContact O-N 2.95Å; V71-D73 VanDerWaalsContact C-N 3.29Å; V71-L123 VanDerWaalsContact CG1-O 3.31Å; V71-L123 WeakPolarHBondContact CG1-O 3.4Å; V71-R127 HydrophobicContact CG1-CB 4.01Å; V71-R127 PolarHBondContact O-NH1 2.94Å; V71-L128 HydrophobicContact CG1-CB 4.47Å; V71-L128 HydrophobicContact CG2-CB 4.41Å; V71-L128 HydrophobicContact CG2-CD1 4.4Å
72	C	95.6	Very high	94.5	Very high	13 Å²	13	26.5 Å²	26.5	9%	0.088	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	2.5	175.6	-57.9	0	0	0	0	113.6	A68 L70 L74 P117	A68-C72 WeakPolarHBondContact O-CB 3.36Å; A68-C72 PolarHBondContact O-N 3.15Å; A68-C72 PolarHBondContact O-SG 3.12Å; A68-C72 VanDerWaalsContact O-SG 3.39Å; L70-C72 VanDerWaalsContact C-N 3.32Å; L70-C72 PolarHBondContact O-N 3.22Å; C72-L74 VanDerWaalsContact C-N 3.27Å; C72-L74 HydrophobicContact CB-CD2 3.7Å; C72-L74 HydrophobicContact CB-CG 3.9Å; C72-L74 PolarHBondContact O-N 3.01Å; C72-P117 HydrophobicContact CB-CG 4.41Å
73	D	94.3	Very high	94.3	Very high	91 Å²	91	28.2 Å²	28.2	49%	0.487	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	38.6	-178.7	-160	23.6	0	0	0	114.9	K45 Y52 C69 L70 V71	K45-D73 WeakPolarHBondContact CE-OD1 3.41Å; K45-D73 PolarHBondContact NZ-O 3.3Å; K45-D73 IonicContact NZ-OD1 2.71Å; K45-D73 PolarHBondContact NZ-OD1 3.36Å; Y52-D73 PolarHBondContact OH-OD1 2.84Å; C69-D73 PolarHBondContact O-N 3.25Å; L70-D73 PolarHBondContact O-N 3.21Å; L70-D73 VanDerWaalsContact O-N 3.08Å; V71-D73 VanDerWaalsContact C-N 3.29Å
74	L	94.9	Very high	93.9	Very high	20 Å²	20	28.2 Å²	28.2	11%	0.105	14%	0.144	C	C	.	.			trans	-66	154.3	-175.1	-55.4	-174.3	0	0	0	113.3	K45 C69 C72 M76 L115 L116	K45-L74 PolarHBondContact NZ-O 3.31Å; C69-L74 HydrophobicContact CB-CD1 4.37Å; C69-L74 PolarHBondContact O-N 3.08Å; C72-L74 VanDerWaalsContact C-N 3.27Å; C72-L74 HydrophobicContact CB-CD2 3.7Å; C72-L74 HydrophobicContact CB-CG 3.9Å; C72-L74 PolarHBondContact O-N 3.01Å; L74-M76 PolarHBondContact O-N 3.24Å; L74-L115 HydrophobicContact CD1-CB 4.17Å; L74-L115 WeakPolarHBondContact CD2-O 3.49Å; L74-L116 HydrophobicContact CD1-CD2 4.34Å
75	D	93.4	Very high	93.4	Very high	91 Å²	91	33.8 Å²	33.8	49%	0.487	17%	0.168	S	C	.	.			trans	-69.5	120.9	170.3	-175.7	-7.9	0	0	0	110.6	D77 V78 C79	D75-D77 VanDerWaalsContact C-N 3.28Å; D75-D77 PolarHBondContact O-N 3.42Å; D75-D77 PolarHBondContact OD1-N 3.25Å; D75-V78 HydrophobicContact CB-CB 4.36Å; D75-V78 HydrophobicContact CB-CG2 3.84Å; D75-V78 PolarHBondContact O-N 3.19Å; D75-C79 PolarHBondContact O-N 3.39Å; D75-C79 VanDerWaalsContact O-N 3.09Å; D75-C79 PolarHBondContact O-SG 3.35Å; D75-C79 VanDerWaalsContact O-SG 3.33Å
76	M	92.7	Very high	92.9	Very high	13 Å²	13	32.9 Å²	32.9	6%	0.064	16%	0.163	C	C	.	.	H	α-helix	trans	-64.8	-32.1	-177.3	-67.3	-66.6	161.3	0	0	112.2	I38 C41 K45 C69 L70 L74 V78 C79 V80 L387	I38-M76 HydrophobicContact CD1-SD 4.17Å; I38-M76 HydrophobicContact CG2-SD 4.28Å; C41-M76 HydrophobicContact CB-CE 3.53Å; C41-M76 HydrophobicContact CB-SD 4.05Å; K45-M76 HydrophobicContact CD-CE 3.37Å; K45-M76 HydrophobicContact CD-CG 4.35Å; K45-M76 HydrophobicContact CG-CE 4.34Å; C69-M76 HydrophobicContact CB-CE 4.39Å; L70-M76 HydrophobicContact CD2-CE 4.17Å; L74-M76 PolarHBondContact O-N 3.24Å; M76-V78 VanDerWaalsContact C-N 3.31Å; M76-V78 PolarHBondContact O-N 3.39Å; M76-C79 PolarHBondContact O-N 2.96Å; M76-V80 WeakPolarHBondContact O-CG2 3.21Å; M76-V80 PolarHBondContact O-N 2.64Å; M76-L387 HydrophobicContact CB-CD1 4.46Å; M76-L387 HydrophobicContact CB-CD2 4.38Å
77	D	91.9	Very high	92.3	Very high	43 Å²	43	32.8 Å²	32.8	23%	0.23	16%	0.162	C	C	.	.	H	α-helix	trans	-65.8	-38.3	177.9	-72.7	5.7	0	0	0	110.5	D75 R81 L387 L390	D75-D77 VanDerWaalsContact C-N 3.28Å; D75-D77 PolarHBondContact O-N 3.42Å; D75-D77 PolarHBondContact OD1-N 3.25Å; D77-R81 PolarHBondContact O-N 3.24Å; D77-R81 VanDerWaalsContact O-N 3.12Å; D77-R81 PolarHBondContact O-NE 2.94Å; D77-L387 WeakPolarHBondContact OD1-CD2 3.28Å; D77-L387 VanDerWaalsContact OD1-CG 3.25Å; D77-L387 WeakPolarHBondContact OD1-CG 3.37Å; D77-L390 WeakPolarHBondContact O-CD2 3.41Å
78	V	91.8	Very high	91.6	Very high	47 Å²	47	36.1 Å²	36.1	29%	0.285	18%	0.178	S	C	.	.	H	α-helix	trans	-70.2	-40.9	176.3	-169.3	0	0	0	0	110.7	D75 M76 R81 H82 L115	D75-V78 HydrophobicContact CB-CB 4.36Å; D75-V78 HydrophobicContact CB-CG2 3.84Å; D75-V78 PolarHBondContact O-N 3.19Å; M76-V78 VanDerWaalsContact C-N 3.31Å; M76-V78 PolarHBondContact O-N 3.39Å; V78-R81 WeakPolarHBondContact O-CB 3.44Å; V78-R81 PolarHBondContact O-N 3.2Å; V78-H82 PolarHBondContact O-N 2.7Å; V78-H82 PolarHBondContact O-ND1 3.3Å; V78-L115 HydrophobicContact CB-CD2 4.12Å; V78-L115 HydrophobicContact CG1-CD2 3.51Å
79	C	93	Very high	90.8	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.02	18%	0.18	C	C	.	.	H	α-helix	trans	-60.6	-46	175.4	-66.7	0	0	0	0	111.9	I38 D75 M76 R81 H82 I83	I38-C79 HydrophobicContact CD1-CB 4.23Å; D75-C79 PolarHBondContact O-N 3.39Å; D75-C79 VanDerWaalsContact O-N 3.09Å; D75-C79 PolarHBondContact O-SG 3.35Å; D75-C79 VanDerWaalsContact O-SG 3.33Å; M76-C79 PolarHBondContact O-N 2.96Å; C79-R81 PolarHBondContact O-N 3.42Å; C79-H82 PolarHBondContact O-N 3.14Å; C79-I83 WeakPolarHBondContact O-CG1 3.23Å; C79-I83 PolarHBondContact O-N 2.85Å
80	V	92.4	Very high	90	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.3	-42	177.9	168.6	0	0	0	0	111.7	L35 I38 M76 H82 I83 C84 L387 L390 I391	L35-V80 HydrophobicContact CD2-CG1 4.46Å; L35-V80 HydrophobicContact CD2-CG2 4.03Å; I38-V80 HydrophobicContact CG2-CG2 3.66Å; M76-V80 WeakPolarHBondContact O-CG2 3.21Å; M76-V80 PolarHBondContact O-N 2.64Å; V80-H82 VanDerWaalsContact C-N 3.25Å; V80-H82 PolarHBondContact O-N 2.8Å; V80-I83 PolarHBondContact O-N 3.49Å; V80-C84 WeakPolarHBondContact O-CB 3.18Å; V80-C84 PolarHBondContact O-N 2.93Å; V80-C84 PolarHBondContact O-SG 3.08Å; V80-C84 VanDerWaalsContact O-SG 3.35Å; V80-L387 HydrophobicContact CB-CD2 4.02Å; V80-L387 HydrophobicContact CG2-CD2 3.56Å; V80-L390 HydrophobicContact CB-CD2 3.76Å; V80-L390 HydrophobicContact CG1-CB 4.47Å; V80-L390 HydrophobicContact CG1-CD2 3.53Å; V80-L390 HydrophobicContact CG1-CG 3.96Å; V80-I391 HydrophobicContact CG1-CD1 4.33Å; V80-I391 HydrophobicContact CG1-CG1 3.48Å; V80-I391 VanDerWaalsContact CG1-CG1 3.48Å
81	R	91.2	Very high	89	Confident	120 Å²	120	36.5 Å²	36.5	45%	0.453	18%	0.178	S	C	.	.	H	α-helix	trans	-52.6	-44.9	174.7	-86.4	-178.1	-81	-118.5	0.1	112.1	D77 V78 C79 K85 L390	D77-R81 PolarHBondContact O-N 3.24Å; D77-R81 VanDerWaalsContact O-N 3.12Å; D77-R81 PolarHBondContact O-NE 2.94Å; V78-R81 WeakPolarHBondContact O-CB 3.44Å; V78-R81 PolarHBondContact O-N 3.2Å; C79-R81 PolarHBondContact O-N 3.42Å; R81-K85 WeakPolarHBondContact O-CB 3.43Å; R81-K85 PolarHBondContact O-N 3.38Å; R81-L390 HydrophobicContact CG-CD1 3.65Å; R81-L390 HydrophobicContact CG-CD2 3.79Å; R81-L390 HydrophobicContact CG-CG 4.17Å
82	H	90.6	Very high	87.9	Confident	40 Å²	40	43.9 Å²	43.9	19%	0.185	21%	0.205	C	C	.	.	H	α-helix	trans	-69.8	-42.5	179.8	-72.4	84.3	0	0	0	112.5	V78 C79 V80 K85 L86 L115	V78-H82 PolarHBondContact O-N 2.7Å; V78-H82 PolarHBondContact O-ND1 3.3Å; C79-H82 PolarHBondContact O-N 3.14Å; V80-H82 VanDerWaalsContact C-N 3.25Å; V80-H82 PolarHBondContact O-N 2.8Å; H82-K85 PolarHBondContact O-N 2.89Å; H82-L86 WeakPolarHBondContact O-CB 3.41Å; H82-L86 PolarHBondContact O-N 3.01Å; H82-L115 HydrophobicContact CB-CD1 3.94Å
83	I	89.1	Confident	86.6	Confident	46 Å²	46	45.1 Å²	45.1	24%	0.236	21%	0.209	C	C	.	.	H	α-helix	trans	-62.4	-45.2	176	-65.5	168.1	0	0	0	110.4	L35 I38 C79 V80 L86 V87	L35-I83 HydrophobicContact CD2-CB 4.48Å; L35-I83 HydrophobicContact CD2-CD1 4.34Å; L35-I83 HydrophobicContact CD2-CG2 4.05Å; L35-I83 HydrophobicContact CG-CG2 3.99Å; I38-I83 HydrophobicContact CD1-CD1 3.94Å; I38-I83 HydrophobicContact CG1-CD1 3.71Å; C79-I83 WeakPolarHBondContact O-CG1 3.23Å; C79-I83 PolarHBondContact O-N 2.85Å; V80-I83 PolarHBondContact O-N 3.49Å; I83-L86 WeakPolarHBondContact O-CB 3.38Å; I83-L86 PolarHBondContact O-N 2.89Å; I83-V87 WeakPolarHBondContact O-CG2 3.49Å; I83-V87 PolarHBondContact O-N 2.89Å
84	C	88	Confident	84.6	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63.2	-42.2	177.4	-71.4	0	0	0	0	112	V80 L86 V87 E88 S394 T395	V80-C84 WeakPolarHBondContact O-CB 3.18Å; V80-C84 PolarHBondContact O-N 2.93Å; V80-C84 PolarHBondContact O-SG 3.08Å; V80-C84 VanDerWaalsContact O-SG 3.35Å; C84-L86 VanDerWaalsContact C-N 3.31Å; C84-L86 PolarHBondContact O-N 2.92Å; C84-V87 PolarHBondContact O-N 3.34Å; C84-E88 WeakPolarHBondContact O-CB 3.35Å; C84-E88 PolarHBondContact O-N 2.95Å; C84-S394 VanDerWaalsContact CB-CB 3.48Å; C84-T395 HydrophobicContact CB-CG2 3.96Å
85	K	87.6	Confident	82.7	Confident	117 Å²	117	48.5 Å²	48.5	51%	0.509	23%	0.225	S	C	.	.	H	α-helix	trans	-61	-39.9	174.2	-174.4	177.3	-178.5	-179.2	0	112	R81 H82 E88 N89	R81-K85 WeakPolarHBondContact O-CB 3.43Å; R81-K85 PolarHBondContact O-N 3.38Å; H82-K85 PolarHBondContact O-N 2.89Å; K85-E88 PolarHBondContact O-N 2.91Å; K85-N89 WeakPolarHBondContact O-CB 3.41Å; K85-N89 VanDerWaalsContact O-CG 3.24Å; K85-N89 PolarHBondContact O-N 3.38Å; K85-N89 PolarHBondContact O-ND2 3.15Å
86	L	86.2	Confident	81.3	Confident	22 Å²	22	44.2 Å²	44.2	12%	0.115	20%	0.202	C	C	.	.	H	α-helix	trans	-65	-43.5	174.9	178.3	129.3	0	0	0	111.6	F32 H82 I83 C84 T90 Y102 I104 L108	F32-L86 HydrophobicContact CD1-CD2 4.16Å; F32-L86 HydrophobicContact CE1-CD2 3.61Å; H82-L86 WeakPolarHBondContact O-CB 3.41Å; H82-L86 PolarHBondContact O-N 3.01Å; I83-L86 WeakPolarHBondContact O-CB 3.38Å; I83-L86 PolarHBondContact O-N 2.89Å; C84-L86 VanDerWaalsContact C-N 3.31Å; C84-L86 PolarHBondContact O-N 2.92Å; L86-T90 WeakPolarHBondContact O-CB 3.33Å; L86-T90 PolarHBondContact O-N 3.02Å; L86-T90 PolarHBondContact O-OG1 3.01Å; L86-Y102 PolarHBondContact O-OH 3.39Å; L86-I104 HydrophobicContact CD1-CD1 4.44Å; L86-I104 HydrophobicContact CD1-CG1 3.92Å; L86-I104 HydrophobicContact CD2-CD1 4.35Å; L86-I104 HydrophobicContact CG-CG1 4.5Å; L86-L108 HydrophobicContact CD1-CD2 3.54Å; L86-L108 HydrophobicContact CD1-CG 3.61Å
87	V	84.1	Confident	79.8	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.012	20%	0.199	C	C	.	.	H	α-helix	trans	-61	-47.8	173.7	167.4	0	0	0	0	110.7	F32 I83 C84 N89 T90 R91 P255 L261 T395	F32-V87 HydrophobicContact CD1-CG2 3.99Å; F32-V87 HydrophobicContact CE1-CG2 4.41Å; I83-V87 WeakPolarHBondContact O-CG2 3.49Å; I83-V87 PolarHBondContact O-N 2.89Å; C84-V87 PolarHBondContact O-N 3.34Å; V87-N89 PolarHBondContact O-N 3.42Å; V87-T90 WeakPolarHBondContact O-CB 3.39Å; V87-T90 PolarHBondContact O-N 2.95Å; V87-R91 VanDerWaalsContact O-CG 3.24Å; V87-R91 WeakPolarHBondContact O-CG 3.18Å; V87-R91 PolarHBondContact O-N 2.98Å; V87-P255 HydrophobicContact CG1-CB 3.85Å; V87-L261 HydrophobicContact CG1-CD1 4.18Å; V87-T395 HydrophobicContact CG1-CG2 4.37Å
88	E	82	Confident	78.3	Confident	70 Å²	70	45.4 Å²	45.4	33%	0.327	21%	0.205	S	C	.	.	H	α-helix	trans	-59.4	-49.3	178.9	-167.9	-164.3	160.5	0	0	111.2	C84 K85 T90 R91 R92	C84-E88 WeakPolarHBondContact O-CB 3.35Å; C84-E88 PolarHBondContact O-N 2.95Å; K85-E88 PolarHBondContact O-N 2.91Å; E88-T90 VanDerWaalsContact C-N 3.33Å; E88-T90 PolarHBondContact O-N 2.82Å; E88-R91 PolarHBondContact O-N 3.31Å; E88-R91 VanDerWaalsContact O-N 3.11Å; E88-R92 WeakPolarHBondContact O-CG 3.38Å; E88-R92 PolarHBondContact O-N 2.88Å; E88-R92 IonicContact OE1-CZ 2.96Å; E88-R92 IonicContact OE1-NE 2.9Å; E88-R92 IonicContact OE1-NH2 3.06Å; E88-R92 PolarHBondContact OE1-NH2 3.01Å; E88-R92 IonicContact OE2-NH2 3.94Å
89	N	81.1	Confident	76.8	Confident	10 Å²	10	43.5 Å²	43.5	5%	0.053	19%	0.193	C	C	.	.	H	α-helix	trans	-60.8	-42.5	177.5	-73.7	-25.8	0	0	0	111.8	K85 V87 R91 R92 F93 Y102 Y107	K85-N89 WeakPolarHBondContact O-CB 3.41Å; K85-N89 VanDerWaalsContact O-CG 3.24Å; K85-N89 PolarHBondContact O-N 3.38Å; K85-N89 PolarHBondContact O-ND2 3.15Å; V87-N89 PolarHBondContact O-N 3.42Å; N89-R91 VanDerWaalsContact C-N 3.26Å; N89-R91 PolarHBondContact O-N 2.8Å; N89-R92 WeakPolarHBondContact O-CB 3.38Å; N89-R92 PolarHBondContact O-N 3.15Å; N89-R92 VanDerWaalsContact O-N 3.11Å; N89-R92 PolarHBondContact OD1-NH1 2.77Å; N89-F93 WeakPolarHBondContact O-CD2 3.39Å; N89-F93 VanDerWaalsContact O-CE2 3.27Å; N89-F93 WeakPolarHBondContact O-CE2 3.33Å; N89-Y102 HydrophobicContact CB-CE2 4.1Å; N89-Y107 HydrophobicContact CB-CD1 4.43Å; N89-Y107 HydrophobicContact CB-CE1 4.15Å; N89-Y107 VanDerWaalsContact ND2-CD1 3.28Å; N89-Y107 WeakPolarHBondContact ND2-CD1 3.5Å; N89-Y107 WeakPolarHBondContact ND2-CE1 3.41Å
90	T	78.6	Confident	75.3	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-55.7	-44.3	174.6	-55.8	0	0	0	0	111	F32 L86 V87 E88 R92 F93 G96 P97 Y102 P255	F32-T90 HydrophobicContact CE1-CG2 4.37Å; F32-T90 HydrophobicContact CE2-CG2 4.26Å; F32-T90 HydrophobicContact CZ-CG2 3.63Å; F32-T90 WeakPolarHBondContact CZ-OG1 3.34Å; L86-T90 WeakPolarHBondContact O-CB 3.33Å; L86-T90 PolarHBondContact O-N 3.02Å; L86-T90 PolarHBondContact O-OG1 3.01Å; V87-T90 WeakPolarHBondContact O-CB 3.39Å; V87-T90 PolarHBondContact O-N 2.95Å; E88-T90 VanDerWaalsContact C-N 3.33Å; E88-T90 PolarHBondContact O-N 2.82Å; T90-R92 PolarHBondContact O-N 2.91Å; T90-F93 PolarHBondContact O-N 3.29Å; T90-G96 CarbonylContact O-C 3.55Å; T90-G96 WeakPolarHBondContact O-CA 3.28Å; T90-P97 HydrophobicContact CG2-CB 3.63Å; T90-P97 HydrophobicContact CG2-CG 4.08Å; T90-Y102 HydrophobicContact CG2-CE1 4.04Å; T90-Y102 VanDerWaalsContact OG1-CE1 3.32Å; T90-Y102 WeakPolarHBondContact OG1-CE1 3.38Å; T90-Y102 PolarHBondContact OG1-OH 2.94Å; T90-P255 HydrophobicContact CG2-CG 4.14Å
91	R	74	Confident	74	Confident	14 Å²	14	56.9 Å²	56.9	5%	0.053	26%	0.257	C	S	.	.	H	α-helix	trans	-70.6	-15.2	-178.3	-64.9	177.6	179	165.5	4.5	113.8	V87 E88 N89 F93 P255 M256 T395 Y401	V87-R91 VanDerWaalsContact O-CG 3.24Å; V87-R91 WeakPolarHBondContact O-CG 3.18Å; V87-R91 PolarHBondContact O-N 2.98Å; E88-R91 PolarHBondContact O-N 3.31Å; E88-R91 VanDerWaalsContact O-N 3.11Å; N89-R91 VanDerWaalsContact C-N 3.26Å; N89-R91 PolarHBondContact O-N 2.8Å; R91-F93 VanDerWaalsContact C-N 3.25Å; R91-F93 PolarHBondContact O-N 2.94Å; R91-P255 HydrophobicContact CG-CB 4.43Å; R91-P255 HydrophobicContact CG-CG 3.88Å; R91-M256 PolarHBondContact NH2-O 3.14Å; R91-T395 PolarHBondContact NH1-O 2.64Å; R91-Y401 HydrophobicContact CB-CD1 4.21Å; R91-Y401 HydrophobicContact CB-CD2 4.13Å; R91-Y401 HydrophobicContact CB-CE1 3.77Å; R91-Y401 HydrophobicContact CB-CE2 3.72Å; R91-Y401 HydrophobicContact CB-CG 4.36Å; R91-Y401 HydrophobicContact CG-CD1 4.34Å; R91-Y401 HydrophobicContact CG-CE1 3.52Å; R91-Y401 HydrophobicContact CG-CE2 4.17Å; R91-Y401 VanDerWaalsContact CG-CZ 3.45Å; R91-Y401 WeakPolarHBondContact CG-OH 3.28Å; R91-Y401 WeakPolarHBondContact O-CD2 3.28Å; R91-Y401 WeakPolarHBondContact O-CE2 3.47Å
92	R	74.4	Confident	73.1	Confident	159 Å²	159	51.4 Å²	51.4	60%	0.6	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-20.4	178.1	-69.3	174	-175.6	-177	-2.3	112.8	E88 N89 T90	E88-R92 WeakPolarHBondContact O-CG 3.38Å; E88-R92 PolarHBondContact O-N 2.88Å; E88-R92 IonicContact OE1-CZ 2.96Å; E88-R92 IonicContact OE1-NE 2.9Å; E88-R92 IonicContact OE1-NH2 3.06Å; E88-R92 PolarHBondContact OE1-NH2 3.01Å; E88-R92 IonicContact OE2-NH2 3.94Å; N89-R92 WeakPolarHBondContact O-CB 3.38Å; N89-R92 PolarHBondContact O-N 3.15Å; N89-R92 VanDerWaalsContact O-N 3.11Å; N89-R92 PolarHBondContact OD1-NH1 2.77Å; T90-R92 PolarHBondContact O-N 2.91Å
93	F	66.5	Low	72.4	Confident	39 Å²	39	54.6 Å²	54.6	17%	0.171	25%	0.25	C	S	.	.	S	Bend	trans	-92	143.2	-178	-63.4	-86.6	0	0	0	111.3	N89 T90 R91 L95 G96 D99 R101 Y102	N89-F93 WeakPolarHBondContact O-CD2 3.39Å; N89-F93 VanDerWaalsContact O-CE2 3.27Å; N89-F93 WeakPolarHBondContact O-CE2 3.33Å; T90-F93 PolarHBondContact O-N 3.29Å; R91-F93 VanDerWaalsContact C-N 3.25Å; R91-F93 PolarHBondContact O-N 2.94Å; F93-L95 PolarHBondContact O-N 3.23Å; F93-G96 WeakPolarHBondContact CB-O 3.45Å; F93-G96 WeakPolarHBondContact O-CA 3.41Å; F93-G96 PolarHBondContact O-N 3.19Å; F93-D99 HydrophobicContact CB-CB 3.57Å; F93-D99 HydrophobicContact CD1-CB 4.17Å; F93-D99 HydrophobicContact CG-CB 4.1Å; F93-R101 HydrophobicContact CD1-CB 4.37Å; F93-R101 HydrophobicContact CE1-CB 4.08Å; F93-Y102 AromaticContact CD2-CD2 3.59Å; F93-Y102 HydrophobicContact CD2-CD2 3.59Å; F93-Y102 HydrophobicContact CD2-CE2 4.48Å; F93-Y102 AromaticContact CD2-CG 3.79Å; F93-Y102 HydrophobicContact CD2-CG 3.79Å; F93-Y102 AromaticContact CE2-CD2 3.26Å; F93-Y102 HydrophobicContact CE2-CD2 3.26Å; F93-Y102 HydrophobicContact CE2-CE2 4.1Å; F93-Y102 AromaticContact CE2-CG 3.88Å; F93-Y102 HydrophobicContact CE2-CG 3.88Å; F93-Y102 HydrophobicContact CG-CG 4.46Å; F93-Y102 HydrophobicContact CZ-CD2 4.01Å
94	M	52.3	Low	72	Confident	126 Å²	126	53 Å²	53	62%	0.621	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-39	-174.1	-66.2	-145.6	103.9	0	0	112.6	G96	M94-G96 PolarHBondContact O-N 2.64Å
95	L	56.4	Low	71.8	Confident	57 Å²	57	54 Å²	54	30%	0.298	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	12	172.5	-59.3	179.7	0	0	0	112.1	F93 P97 F98 D99 Y412	F93-L95 PolarHBondContact O-N 3.23Å; L95-P97 WeakPolarHBondContact O-CD 3.39Å; L95-F98 HydrophobicContact CB-CB 4.31Å; L95-F98 WeakPolarHBondContact O-CB 3.38Å; L95-F98 PolarHBondContact O-N 2.68Å; L95-D99 HydrophobicContact CB-CB 3.94Å; L95-Y412 HydrophobicContact CD2-CE2 4.12Å; L95-Y412 WeakPolarHBondContact CD2-OH 3.36Å
96	G	64.6	Low	71.7	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	51	-120.7	-174.7	0	0	0	0	0	110.7	T90 F93 M94 F98 D99	T90-G96 CarbonylContact O-C 3.55Å; T90-G96 WeakPolarHBondContact O-CA 3.28Å; F93-G96 WeakPolarHBondContact CB-O 3.45Å; F93-G96 WeakPolarHBondContact O-CA 3.41Å; F93-G96 PolarHBondContact O-N 3.19Å; M94-G96 PolarHBondContact O-N 2.64Å; G96-F98 VanDerWaalsContact C-N 3.26Å; G96-F98 PolarHBondContact O-N 3.01Å; G96-D99 WeakPolarHBondContact O-CB 3.39Å; G96-D99 PolarHBondContact O-N 3.04Å
97	P	59.2	Low	71.7	Confident	1 Å²	1	56 Å²	56	1%	0.006	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-75.3	-13.4	-179.1	32.7	-34.8	0	0	0	114.5	F32 T90 L95 D99 F165 V253 W254	F32-P97 HydrophobicContact CE2-CB 4.12Å; F32-P97 HydrophobicContact CE2-CG 4.23Å; F32-P97 HydrophobicContact CZ-CB 4.28Å; T90-P97 HydrophobicContact CG2-CB 3.63Å; T90-P97 HydrophobicContact CG2-CG 4.08Å; L95-P97 WeakPolarHBondContact O-CD 3.39Å; P97-D99 VanDerWaalsContact C-N 3.3Å; P97-F165 HydrophobicContact CB-CD2 4.04Å; P97-F165 HydrophobicContact CB-CE1 4.17Å; P97-F165 HydrophobicContact CB-CE2 3.21Å; P97-F165 HydrophobicContact CB-CZ 3.28Å; P97-F165 HydrophobicContact CG-CD2 4.35Å; P97-F165 HydrophobicContact CG-CE2 3.44Å; P97-F165 VanDerWaalsContact CG-CE2 3.44Å; P97-F165 HydrophobicContact CG-CZ 3.9Å; P97-V253 WeakPolarHBondContact CG-O 3.39Å; P97-W254 HydrophobicContact CG-CE3 4.2Å; P97-W254 HydrophobicContact CG-CZ3 4.41Å
98	F	61.1	Low	72.1	Confident	80 Å²	80	57.2 Å²	57.2	35%	0.351	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-89.2	-0.2	176.8	-58.2	-79	0	0	0	112.4	L95 G96 P100 F165 W254	L95-F98 HydrophobicContact CB-CB 4.31Å; L95-F98 WeakPolarHBondContact O-CB 3.38Å; L95-F98 PolarHBondContact O-N 2.68Å; G96-F98 VanDerWaalsContact C-N 3.26Å; G96-F98 PolarHBondContact O-N 3.01Å; F98-P100 WeakPolarHBondContact O-CD 3.37Å; F98-F165 HydrophobicContact CD1-CD2 4.24Å; F98-F165 AromaticContact CE1-CD2 3.86Å; F98-F165 HydrophobicContact CE1-CD2 3.86Å; F98-F165 HydrophobicContact CZ-CD2 4.19Å; F98-F165 HydrophobicContact CZ-CE2 4.45Å; F98-W254 HydrophobicContact CD2-CE3 4.44Å; F98-W254 HydrophobicContact CD2-CZ3 4.16Å; F98-W254 HydrophobicContact CE2-CE3 4.22Å; F98-W254 HydrophobicContact CE2-CZ3 4.37Å
99	D	61.1	Low	72.6	Confident	7 Å²	7	59.2 Å²	59.2	4%	0.037	27%	0.27	C	S	.	.			trans	-67.5	120.9	175.8	-164.2	-53.9	0	0	0	108.7	F93 L95 G96 P97 R101 Y102	F93-D99 HydrophobicContact CB-CB 3.57Å; F93-D99 HydrophobicContact CD1-CB 4.17Å; F93-D99 HydrophobicContact CG-CB 4.1Å; L95-D99 HydrophobicContact CB-CB 3.94Å; G96-D99 WeakPolarHBondContact O-CB 3.39Å; G96-D99 PolarHBondContact O-N 3.04Å; P97-D99 VanDerWaalsContact C-N 3.3Å; D99-R101 PolarHBondContact O-N 3.36Å; D99-R101 VanDerWaalsContact OD1-CB 3.24Å; D99-R101 WeakPolarHBondContact OD1-CB 3.47Å; D99-R101 WeakPolarHBondContact OD1-CG 3.45Å; D99-R101 IonicContact OD1-CZ 2.95Å; D99-R101 PolarHBondContact OD1-N 2.96Å; D99-R101 IonicContact OD1-NE 2.91Å; D99-R101 PolarHBondContact OD1-NE 3.4Å; D99-R101 IonicContact OD1-NH2 2.75Å; D99-R101 IonicContact OD2-CZ 2.67Å; D99-R101 IonicContact OD2-NE 3.58Å; D99-R101 IonicContact OD2-NH2 2.93Å; D99-R101 PolarHBondContact OD2-NH2 3.1Å; D99-Y102 WeakPolarHBondContact O-CB 3.37Å; D99-Y102 PolarHBondContact O-N 2.75Å
100	P	60.6	Low	73.1	Confident	112 Å²	112	63.1 Å²	63.1	73%	0.727	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-17	-177.7	24.9	-34.3	0	0	0	113	F98	F98-P100 WeakPolarHBondContact O-CD 3.37Å
101	R	66.5	Low	73.8	Confident	172 Å²	172	63.6 Å²	63.6	65%	0.649	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-21.5	173.6	-57.6	172.1	-66.9	178.4	0.1	112.4	F93 D99 K103	F93-R101 HydrophobicContact CD1-CB 4.37Å; F93-R101 HydrophobicContact CE1-CB 4.08Å; D99-R101 PolarHBondContact O-N 3.36Å; D99-R101 VanDerWaalsContact OD1-CB 3.24Å; D99-R101 WeakPolarHBondContact OD1-CB 3.47Å; D99-R101 WeakPolarHBondContact OD1-CG 3.45Å; D99-R101 IonicContact OD1-CZ 2.95Å; D99-R101 PolarHBondContact OD1-N 2.96Å; D99-R101 IonicContact OD1-NE 2.91Å; D99-R101 PolarHBondContact OD1-NE 3.4Å; D99-R101 IonicContact OD1-NH2 2.75Å; D99-R101 IonicContact OD2-CZ 2.67Å; D99-R101 IonicContact OD2-NE 3.58Å; D99-R101 IonicContact OD2-NH2 2.93Å; D99-R101 PolarHBondContact OD2-NH2 3.1Å; R101-K103 PolarHBondContact O-N 2.81Å
102	Y	70.9	Confident	74.8	Confident	6 Å²	6	63.6 Å²	63.6	2%	0.024	30%	0.297	C	S	.	.			trans	-88.6	97.8	178.7	-177.4	-114	0	0	0	110.9	L86 N89 T90 F93 D99 I104 Y107	L86-Y102 PolarHBondContact O-OH 3.39Å; N89-Y102 HydrophobicContact CB-CE2 4.1Å; T90-Y102 HydrophobicContact CG2-CE1 4.04Å; T90-Y102 VanDerWaalsContact OG1-CE1 3.32Å; T90-Y102 WeakPolarHBondContact OG1-CE1 3.38Å; T90-Y102 PolarHBondContact OG1-OH 2.94Å; F93-Y102 AromaticContact CD2-CD2 3.59Å; F93-Y102 HydrophobicContact CD2-CD2 3.59Å; F93-Y102 HydrophobicContact CD2-CE2 4.48Å; F93-Y102 AromaticContact CD2-CG 3.79Å; F93-Y102 HydrophobicContact CD2-CG 3.79Å; F93-Y102 AromaticContact CE2-CD2 3.26Å; F93-Y102 HydrophobicContact CE2-CD2 3.26Å; F93-Y102 HydrophobicContact CE2-CE2 4.1Å; F93-Y102 AromaticContact CE2-CG 3.88Å; F93-Y102 HydrophobicContact CE2-CG 3.88Å; F93-Y102 HydrophobicContact CG-CG 4.46Å; F93-Y102 HydrophobicContact CZ-CD2 4.01Å; D99-Y102 WeakPolarHBondContact O-CB 3.37Å; D99-Y102 PolarHBondContact O-N 2.75Å; Y102-I104 HydrophobicContact CD1-CB 4.31Å; Y102-I104 HydrophobicContact CE1-CB 3.68Å; Y102-I104 HydrophobicContact CE1-CD1 4.45Å; Y102-I104 HydrophobicContact CE1-CG1 4.04Å; Y102-I104 PolarHBondContact O-N 3.46Å; Y102-Y107 AromaticContact CD2-CD2 3.99Å; Y102-Y107 HydrophobicContact CD2-CD2 3.99Å; Y102-Y107 AromaticContact CD2-CE2 3.61Å; Y102-Y107 HydrophobicContact CD2-CE2 3.61Å; Y102-Y107 AromaticContact CE2-CD2 3.37Å; Y102-Y107 HydrophobicContact CE2-CD2 3.37Å; Y102-Y107 AromaticContact CE2-CE2 3.38Å; Y102-Y107 HydrophobicContact CE2-CE2 3.38Å; Y102-Y107 HydrophobicContact CE2-CG 4.21Å
103	K	76.1	Confident	75.7	Confident	106 Å²	106	58.1 Å²	58.1	46%	0.461	28%	0.283	S	S	.	.			trans	-90.9	88.6	174	-63.9	175.7	-176.4	179.2	0	110	R101 S105 E106 Y107	R101-K103 PolarHBondContact O-N 2.81Å; K103-S105 PolarHBondContact O-N 2.93Å; K103-S105 VanDerWaalsContact O-N 3.08Å; K103-E106 HydrophobicContact CB-CB 4.3Å; K103-E106 HydrophobicContact CB-CG 3.96Å; K103-E106 HydrophobicContact CD-CG 4.16Å; K103-E106 WeakPolarHBondContact CD-OE1 3.41Å; K103-E106 IonicContact NZ-OE1 3.56Å; K103-E106 PolarHBondContact NZ-OE1 2.99Å; K103-E106 PolarHBondContact O-N 3.36Å; K103-Y107 WeakPolarHBondContact O-CD2 3.35Å
104	I	80.7	Confident	77	Confident	14 Å²	14	62.5 Å²	62.5	7%	0.072	30%	0.304	C	S	.	.	H	α-helix	trans	-51.4	-35.6	178.8	-168	172.5	0	0	0	112.9	F32 L86 Y102 E106 Y107 L108 F165 S166	F32-I104 HydrophobicContact CZ-CD1 4.28Å; L86-I104 HydrophobicContact CD1-CD1 4.44Å; L86-I104 HydrophobicContact CD1-CG1 3.92Å; L86-I104 HydrophobicContact CD2-CD1 4.35Å; L86-I104 HydrophobicContact CG-CG1 4.5Å; Y102-I104 HydrophobicContact CD1-CB 4.31Å; Y102-I104 HydrophobicContact CE1-CB 3.68Å; Y102-I104 HydrophobicContact CE1-CD1 4.45Å; Y102-I104 HydrophobicContact CE1-CG1 4.04Å; Y102-I104 PolarHBondContact O-N 3.46Å; I104-E106 VanDerWaalsContact C-N 3.3Å; I104-E106 PolarHBondContact O-N 2.9Å; I104-Y107 PolarHBondContact O-N 3.26Å; I104-L108 HydrophobicContact CD1-CD1 4.42Å; I104-L108 HydrophobicContact CG1-CD1 4Å; I104-L108 HydrophobicContact CG1-CG 4.21Å; I104-L108 WeakPolarHBondContact O-CB 3.29Å; I104-L108 WeakPolarHBondContact O-CG 3.35Å; I104-L108 PolarHBondContact O-N 3.27Å; I104-F165 HydrophobicContact CD1-CE1 3.7Å; I104-F165 HydrophobicContact CD1-CZ 4.45Å; I104-F165 HydrophobicContact CG2-CD1 4.27Å; I104-F165 HydrophobicContact CG2-CE1 4.3Å; I104-S166 WeakPolarHBondContact CG2-OG 3.47Å
105	S	83.8	Confident	79	Confident	19 Å²	19	58 Å²	58	13%	0.133	28%	0.283	C	S	.	.	H	α-helix	trans	-63	-31.6	178.8	-53.2	0	0	0	0	113.5	K103 K109 L157	K103-S105 PolarHBondContact O-N 2.93Å; K103-S105 VanDerWaalsContact O-N 3.08Å; S105-K109 VanDerWaalsContact O-CB 3.24Å; S105-K109 WeakPolarHBondContact O-CB 3.35Å; S105-K109 PolarHBondContact O-N 3.08Å; S105-L157 WeakPolarHBondContact O-CD2 3.11Å
106	E	86.5	Confident	80.9	Confident	100 Å²	100	55.5 Å²	55.5	47%	0.467	27%	0.269	S	S	.	.	H	α-helix	trans	-69.5	-48.3	176.3	-68.8	179.2	-178.7	0	0	110.2	K103 I104 L108 K109 D110	K103-E106 HydrophobicContact CB-CB 4.3Å; K103-E106 HydrophobicContact CB-CG 3.96Å; K103-E106 HydrophobicContact CD-CG 4.16Å; K103-E106 WeakPolarHBondContact CD-OE1 3.41Å; K103-E106 IonicContact NZ-OE1 3.56Å; K103-E106 PolarHBondContact NZ-OE1 2.99Å; K103-E106 PolarHBondContact O-N 3.36Å; I104-E106 VanDerWaalsContact C-N 3.3Å; I104-E106 PolarHBondContact O-N 2.9Å; E106-L108 VanDerWaalsContact C-N 3.35Å; E106-L108 PolarHBondContact O-N 3.23Å; E106-K109 WeakPolarHBondContact O-CB 3.32Å; E106-K109 PolarHBondContact O-N 3.41Å; E106-K109 VanDerWaalsContact O-N 3.16Å; E106-D110 PolarHBondContact O-N 3.25Å
107	Y	86.7	Confident	82.4	Confident	83 Å²	83	57 Å²	57	33%	0.325	28%	0.279	S	S	.	.	H	α-helix	trans	-62.7	-39.1	175.8	-68.6	-81.3	0	0	0	113.1	N89 Y102 K103 I104 G111	N89-Y107 HydrophobicContact CB-CD1 4.43Å; N89-Y107 HydrophobicContact CB-CE1 4.15Å; N89-Y107 VanDerWaalsContact ND2-CD1 3.28Å; N89-Y107 WeakPolarHBondContact ND2-CD1 3.5Å; N89-Y107 WeakPolarHBondContact ND2-CE1 3.41Å; Y102-Y107 AromaticContact CD2-CD2 3.99Å; Y102-Y107 HydrophobicContact CD2-CD2 3.99Å; Y102-Y107 AromaticContact CD2-CE2 3.61Å; Y102-Y107 HydrophobicContact CD2-CE2 3.61Å; Y102-Y107 AromaticContact CE2-CD2 3.37Å; Y102-Y107 HydrophobicContact CE2-CD2 3.37Å; Y102-Y107 AromaticContact CE2-CE2 3.38Å; Y102-Y107 HydrophobicContact CE2-CE2 3.38Å; Y102-Y107 HydrophobicContact CE2-CG 4.21Å; K103-Y107 WeakPolarHBondContact O-CD2 3.35Å; I104-Y107 PolarHBondContact O-N 3.26Å; Y107-G111 PolarHBondContact O-N 3.41Å
108	L	90.7	Very high	84.1	Confident	27 Å²	27	62.1 Å²	62.1	14%	0.141	31%	0.312	C	S	.	.	H	α-helix	trans	-63.7	-43.1	173.7	-77.7	171.7	0	0	0	111.3	L65 L86 I104 E106 G111 L112 L157 A160	L65-L108 HydrophobicContact CD1-CD2 4.12Å; L86-L108 HydrophobicContact CD1-CD2 3.54Å; L86-L108 HydrophobicContact CD1-CG 3.61Å; I104-L108 HydrophobicContact CD1-CD1 4.42Å; I104-L108 HydrophobicContact CG1-CD1 4Å; I104-L108 HydrophobicContact CG1-CG 4.21Å; I104-L108 WeakPolarHBondContact O-CB 3.29Å; I104-L108 WeakPolarHBondContact O-CG 3.35Å; I104-L108 PolarHBondContact O-N 3.27Å; E106-L108 VanDerWaalsContact C-N 3.35Å; E106-L108 PolarHBondContact O-N 3.23Å; L108-G111 PolarHBondContact O-N 2.97Å; L108-L112 WeakPolarHBondContact O-CB 3.47Å; L108-L112 VanDerWaalsContact O-CG 3.24Å; L108-L112 WeakPolarHBondContact O-CG 3.23Å; L108-L112 PolarHBondContact O-N 3.16Å; L108-L157 HydrophobicContact CB-CD2 3.62Å; L108-A160 HydrophobicContact CD1-CB 4.31Å
109	K	93	Very high	85.8	Confident	112 Å²	112	61.9 Å²	61.9	49%	0.487	32%	0.315	S	S	.	.	H	α-helix	trans	-61.8	-45.9	178.7	-176.6	179.4	177.5	-174.3	0	110.8	S105 E106 L112 S113 I153 L157	S105-K109 VanDerWaalsContact O-CB 3.24Å; S105-K109 WeakPolarHBondContact O-CB 3.35Å; S105-K109 PolarHBondContact O-N 3.08Å; E106-K109 WeakPolarHBondContact O-CB 3.32Å; E106-K109 PolarHBondContact O-N 3.41Å; E106-K109 VanDerWaalsContact O-N 3.16Å; K109-L112 PolarHBondContact O-N 3.49Å; K109-S113 VanDerWaalsContact O-CB 3.27Å; K109-S113 WeakPolarHBondContact O-CB 3.3Å; K109-S113 PolarHBondContact O-N 3.27Å; K109-S113 PolarHBondContact O-OG 2.86Å; K109-I153 HydrophobicContact CG-CG2 4.24Å; K109-L157 HydrophobicContact CB-CD1 3.78Å; K109-L157 HydrophobicContact CB-CD2 4.17Å; K109-L157 HydrophobicContact CD-CD1 4.28Å; K109-L157 HydrophobicContact CG-CD1 3.95Å
110	D	92.3	Very high	87.5	Confident	91 Å²	91	61.6 Å²	61.6	49%	0.487	31%	0.313	S	S	.	.	H	α-helix	trans	-62.3	-44.2	178.8	-72.2	-7.8	0	0	0	111.5	E106 S113 Q114	E106-D110 PolarHBondContact O-N 3.25Å; D110-S113 PolarHBondContact O-N 3.43Å; D110-Q114 WeakPolarHBondContact O-CG 3.39Å; D110-Q114 PolarHBondContact O-N 3.08Å; D110-Q114 VanDerWaalsContact O-N 3.15Å; D110-Q114 PolarHBondContact O-NE2 3.41Å
111	G	91.9	Very high	89.2	Confident	10 Å²	10	58.5 Å²	58.5	10%	0.103	29%	0.289	C	S	.	.	H	α-helix	trans	-64.4	-45.4	176.9	0	0	0	0	0	112.7	Y107 L108 S113 Q114 L115	Y107-G111 PolarHBondContact O-N 3.41Å; L108-G111 PolarHBondContact O-N 2.97Å; G111-S113 VanDerWaalsContact C-N 3.3Å; G111-S113 PolarHBondContact O-N 3.21Å; G111-Q114 PolarHBondContact O-N 3.09Å; G111-Q114 VanDerWaalsContact O-N 3.13Å; G111-L115 VanDerWaalsContact O-CB 3.3Å; G111-L115 WeakPolarHBondContact O-CB 3.34Å; G111-L115 VanDerWaalsContact O-CG 3.26Å; G111-L115 WeakPolarHBondContact O-CG 3.32Å; G111-L115 PolarHBondContact O-N 2.92Å
112	L	94.9	Very high	90.6	Very high	15 Å²	15	55 Å²	55	8%	0.079	29%	0.286	C	S	.	.	H	α-helix	trans	-62.7	-37.7	176.1	-73.3	172.9	0	0	0	112.3	L65 L108 K109 Q114 L115 L116 I153 L156 L157	L65-L112 HydrophobicContact CD2-CD1 4.15Å; L65-L112 HydrophobicContact CD2-CD2 3.87Å; L65-L112 HydrophobicContact CD2-CG 4.42Å; L108-L112 WeakPolarHBondContact O-CB 3.47Å; L108-L112 VanDerWaalsContact O-CG 3.24Å; L108-L112 WeakPolarHBondContact O-CG 3.23Å; L108-L112 PolarHBondContact O-N 3.16Å; K109-L112 PolarHBondContact O-N 3.49Å; L112-Q114 PolarHBondContact O-N 2.91Å; L112-L115 PolarHBondContact O-N 3.19Å; L112-L116 HydrophobicContact CB-CD1 4.49Å; L112-L116 HydrophobicContact CD2-CD1 4.24Å; L112-L116 HydrophobicContact CD2-CG 4.41Å; L112-L116 WeakPolarHBondContact O-CB 3.25Å; L112-L116 PolarHBondContact O-N 3.43Å; L112-I153 HydrophobicContact CB-CG1 4.21Å; L112-I153 HydrophobicContact CB-CG2 4.17Å; L112-I153 HydrophobicContact CD1-CG2 4.24Å; L112-L156 HydrophobicContact CD1-CB 3.88Å; L112-L156 HydrophobicContact CD1-CD1 4.23Å; L112-L156 HydrophobicContact CD2-CD1 3.83Å; L112-L157 HydrophobicContact CD1-CD2 4.22Å; L112-L157 HydrophobicContact CD1-CG 4.3Å
113	S	94.6	Very high	91.8	Very high	44 Å²	44	57.2 Å²	57.2	31%	0.308	30%	0.298	S	S	.	.	H	α-helix	trans	-70.7	-15.7	176.9	-55.8	0	0	0	0	113.3	K109 D110 G111 R149	K109-S113 VanDerWaalsContact O-CB 3.27Å; K109-S113 WeakPolarHBondContact O-CB 3.3Å; K109-S113 PolarHBondContact O-N 3.27Å; K109-S113 PolarHBondContact O-OG 2.86Å; D110-S113 PolarHBondContact O-N 3.43Å; G111-S113 VanDerWaalsContact C-N 3.3Å; G111-S113 PolarHBondContact O-N 3.21Å; S113-R149 VanDerWaalsContact C-NH2 3.3Å; S113-R149 PolarHBondContact O-NH2 2.93Å
114	Q	93.6	Very high	92.8	Very high	131 Å²	131	52.1 Å²	52.1	61%	0.612	28%	0.276	S	S	*	.	H	α-helix	trans	-96.4	-34.3	172.5	-72.1	170.4	57	0	0	111.8	D110 G111 L112	D110-Q114 WeakPolarHBondContact O-CG 3.39Å; D110-Q114 PolarHBondContact O-N 3.08Å; D110-Q114 VanDerWaalsContact O-N 3.15Å; D110-Q114 PolarHBondContact O-NE2 3.41Å; G111-Q114 PolarHBondContact O-N 3.09Å; G111-Q114 VanDerWaalsContact O-N 3.13Å; L112-Q114 PolarHBondContact O-N 2.91Å
115	L	94.6	Very high	93.5	Very high	32 Å²	32	52.9 Å²	52.9	17%	0.168	28%	0.282	C	S	.	.	H	α-helix	trans	-82	-45	-174.9	-75.8	171.7	0	0	0	114.1	L74 V78 H82 G111 L112	L74-L115 HydrophobicContact CD1-CB 4.17Å; L74-L115 WeakPolarHBondContact CD2-O 3.49Å; V78-L115 HydrophobicContact CB-CD2 4.12Å; V78-L115 HydrophobicContact CG1-CD2 3.51Å; H82-L115 HydrophobicContact CB-CD1 3.94Å; G111-L115 VanDerWaalsContact O-CB 3.3Å; G111-L115 WeakPolarHBondContact O-CB 3.34Å; G111-L115 VanDerWaalsContact O-CG 3.26Å; G111-L115 WeakPolarHBondContact O-CG 3.32Å; G111-L115 PolarHBondContact O-N 2.92Å; L112-L115 PolarHBondContact O-N 3.19Å
116	L	96.2	Very high	93.9	Very high	4 Å²	4	56.6 Å²	56.6	2%	0.021	30%	0.301	C	S	.	.	S	Bend	trans	-76.3	135.8	-172.5	-68.4	178.6	0	0	0	111	L74 L112 A120 R149 V152 I153 L156	L74-L116 HydrophobicContact CD1-CD2 4.34Å; L112-L116 HydrophobicContact CB-CD1 4.49Å; L112-L116 HydrophobicContact CD2-CD1 4.24Å; L112-L116 HydrophobicContact CD2-CG 4.41Å; L112-L116 WeakPolarHBondContact O-CB 3.25Å; L112-L116 PolarHBondContact O-N 3.43Å; L116-A120 HydrophobicContact CB-CB 4.08Å; L116-R149 PolarHBondContact O-NE 3.05Å; L116-R149 PolarHBondContact O-NH2 3.43Å; L116-V152 HydrophobicContact CD1-CG1 4.13Å; L116-I153 HydrophobicContact CD1-CG1 3.78Å; L116-L156 HydrophobicContact CD1-CD1 4.05Å
117	P	96.1	Very high	94.3	Very high	32 Å²	32	54 Å²	54	21%	0.208	29%	0.287	C	S	.	.			trans	-69.3	161	177.9	31.3	-37.6	0	0	0	111.9	C72 D119 A120 L123 R149	C72-P117 HydrophobicContact CB-CG 4.41Å; P117-D119 WeakPolarHBondContact CB-OD1 3.36Å; P117-D119 PolarHBondContact O-N 3.42Å; P117-A120 HydrophobicContact CG-CB 4.15Å; P117-A120 VanDerWaalsContact O-CB 3.25Å; P117-A120 WeakPolarHBondContact O-CB 3.18Å; P117-A120 PolarHBondContact O-N 2.89Å; P117-A120 VanDerWaalsContact O-N 3.08Å; P117-L123 HydrophobicContact CG-CD1 3.96Å; P117-R149 VanDerWaalsContact O-CD 3.29Å; P117-R149 WeakPolarHBondContact O-CD 3.46Å; P117-R149 PolarHBondContact O-NE 2.92Å
118	P	95.6	Very high	94.8	Very high	108 Å²	108	50.1 Å²	50.1	70%	0.701	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-35.5	178.1	-28.1	36.7	0	0	0	114.2	H121	P118-H121 PolarHBondContact O-ND1 2.85Å
119	D	95.7	Very high	95.1	Very high	75 Å²	75	48.9 Å²	48.9	40%	0.401	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	14	-178.9	67.8	-26.6	0	0	0	113.6	P117 H121 V122 L123	P117-D119 WeakPolarHBondContact CB-OD1 3.36Å; P117-D119 PolarHBondContact O-N 3.42Å; D119-H121 PolarHBondContact O-N 3.49Å; D119-V122 WeakPolarHBondContact O-CA 3.3Å; D119-V122 WeakPolarHBondContact O-CB 3.16Å; D119-V122 PolarHBondContact O-N 3.22Å; D119-L123 PolarHBondContact O-N 3.45Å
120	A	96.6	Very high	95.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-50.7	-35.5	-178.4	0	0	0	0	0	113.4	L116 P117 V122 L123 C124 R149	L116-A120 HydrophobicContact CB-CB 4.08Å; P117-A120 HydrophobicContact CG-CB 4.15Å; P117-A120 VanDerWaalsContact O-CB 3.25Å; P117-A120 WeakPolarHBondContact O-CB 3.18Å; P117-A120 PolarHBondContact O-N 2.89Å; P117-A120 VanDerWaalsContact O-N 3.08Å; A120-V122 VanDerWaalsContact C-N 3.31Å; A120-V122 PolarHBondContact O-N 2.95Å; A120-L123 PolarHBondContact O-N 3.45Å; A120-C124 WeakPolarHBondContact O-CB 3.48Å; A120-C124 PolarHBondContact O-N 3.22Å; A120-C124 PolarHBondContact O-SG 3.42Å; A120-R149 HydrophobicContact CB-CG 4.47Å
121	H	97	Very high	95.4	Very high	48 Å²	48	39.2 Å²	39.2	22%	0.222	22%	0.219	C	C	.	.	H	α-helix	trans	-65.5	-30.1	177.5	63.5	-76.8	0	0	0	114.2	P118 D119 S125 K147 N148 R149 V152	P118-H121 PolarHBondContact O-ND1 2.85Å; D119-H121 PolarHBondContact O-N 3.49Å; H121-S125 VanDerWaalsContact O-CB 3.24Å; H121-S125 WeakPolarHBondContact O-CB 3.43Å; H121-S125 PolarHBondContact O-N 3.06Å; H121-S125 VanDerWaalsContact O-N 3.09Å; H121-S125 PolarHBondContact O-OG 3.35Å; H121-K147 PolarHBondContact CD2-O 3.48Å; H121-N148 WeakPolarHBondContact CB-O 3.47Å; H121-N148 VanDerWaalsContact CG-CA 3.48Å; H121-R149 PolarHBondContact ND1-N 3.38Å; H121-V152 HydrophobicContact CB-CG2 3.92Å
122	V	96.6	Very high	95.6	Very high	97 Å²	97	38.8 Å²	38.8	59%	0.588	21%	0.214	S	C	*	.	H	α-helix	trans	-73.7	-46.9	173.3	-177	0	0	0	0	109.5	D119 A120 C124	D119-V122 WeakPolarHBondContact O-CA 3.3Å; D119-V122 WeakPolarHBondContact O-CB 3.16Å; D119-V122 PolarHBondContact O-N 3.22Å; A120-V122 VanDerWaalsContact C-N 3.31Å; A120-V122 PolarHBondContact O-N 2.95Å; V122-C124 VanDerWaalsContact C-N 3.32Å; V122-C124 PolarHBondContact O-N 3.17Å
123	L	95.7	Very high	95.4	Very high	53 Å²	53	38.3 Å²	38.3	28%	0.277	21%	0.212	S	C	.	.	H	α-helix	trans	-63.6	-38	179.2	-61.7	176.9	0	0	0	112.6	V71 P117 D119 A120	V71-L123 VanDerWaalsContact CG1-O 3.31Å; V71-L123 WeakPolarHBondContact CG1-O 3.4Å; P117-L123 HydrophobicContact CG-CD1 3.96Å; D119-L123 PolarHBondContact O-N 3.45Å; A120-L123 PolarHBondContact O-N 3.45Å
124	C	96.5	Very high	95.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-85.4	-26.2	-176.3	-69.9	0	0	0	0	113.8	A120 V122 D126 R127 L128 Y146 V152	A120-C124 WeakPolarHBondContact O-CB 3.48Å; A120-C124 PolarHBondContact O-N 3.22Å; A120-C124 PolarHBondContact O-SG 3.42Å; V122-C124 VanDerWaalsContact C-N 3.32Å; V122-C124 PolarHBondContact O-N 3.17Å; C124-D126 PolarHBondContact O-N 3.35Å; C124-R127 PolarHBondContact O-N 2.75Å; C124-R127 VanDerWaalsContact O-N 3.16Å; C124-L128 HydrophobicContact CB-CB 3.78Å; C124-L128 HydrophobicContact CB-CD2 4.02Å; C124-L128 WeakPolarHBondContact O-CB 3.23Å; C124-L128 PolarHBondContact O-N 3.17Å; C124-Y146 HydrophobicContact CB-CD2 3.86Å; C124-Y146 HydrophobicContact CB-CE2 3.87Å; C124-V152 HydrophobicContact CB-CG2 4.42Å
125	S	95.4	Very high	95	Very high	29 Å²	29	35.3 Å²	35.3	20%	0.203	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	132.2	-179.1	-73	0	0	0	0	111.1	H121 R127 R144 Y146	H121-S125 VanDerWaalsContact O-CB 3.24Å; H121-S125 WeakPolarHBondContact O-CB 3.43Å; H121-S125 PolarHBondContact O-N 3.06Å; H121-S125 VanDerWaalsContact O-N 3.09Å; H121-S125 PolarHBondContact O-OG 3.35Å; S125-R127 PolarHBondContact O-N 3.03Å; S125-R144 WeakPolarHBondContact CA-O 3.45Å; S125-Y146 PolarHBondContact OG-N 2.88Å; S125-Y146 PolarHBondContact OG-O 2.85Å
126	D	93.2	Very high	94.8	Very high	97 Å²	97	38.6 Å²	38.6	52%	0.519	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	-8.2	-174.6	-60.1	-47.3	0	0	0	115.8	C124 R144 K145	C124-D126 PolarHBondContact O-N 3.35Å; D126-R144 PolarHBondContact N-O 3.12Å; D126-K145 WeakPolarHBondContact OD1-CE 3.36Å
127	R	94.4	Very high	94.5	Very high	47 Å²	47	42.2 Å²	42.2	18%	0.177	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	-33.8	177.1	-68.2	-175.9	62	-146.5	-0.4	113.9	Y52 P56 V57 V71 C124 S125	Y52-R127 PolarHBondContact O-NH2 3.42Å; P56-R127 CarbonylContact C-O 3.49Å; P56-R127 VanDerWaalsContact CA-O 3.3Å; P56-R127 WeakPolarHBondContact CA-O 3.43Å; V57-R127 PolarHBondContact N-O 3.28Å; V57-R127 VanDerWaalsContact O-O 3.1Å; V71-R127 HydrophobicContact CG1-CB 4.01Å; V71-R127 PolarHBondContact O-NH1 2.94Å; C124-R127 PolarHBondContact O-N 2.75Å; C124-R127 VanDerWaalsContact O-N 3.16Å; S125-R127 PolarHBondContact O-N 3.03Å
128	L	96.8	Very high	94	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	111.8	-178.9	-179	64	0	0	0	110.3	V57 A67 A68 V71 C124 I130 Y146	V57-L128 WeakPolarHBondContact O-CA 3.41Å; A67-L128 HydrophobicContact CB-CD1 3.57Å; A68-L128 HydrophobicContact CB-CD2 3.9Å; V71-L128 HydrophobicContact CG1-CB 4.47Å; V71-L128 HydrophobicContact CG2-CB 4.41Å; V71-L128 HydrophobicContact CG2-CD1 4.4Å; C124-L128 HydrophobicContact CB-CB 3.78Å; C124-L128 HydrophobicContact CB-CD2 4.02Å; C124-L128 WeakPolarHBondContact O-CB 3.23Å; C124-L128 PolarHBondContact O-N 3.17Å; L128-I130 HydrophobicContact CD1-CG1 4.48Å; L128-I130 HydrophobicContact CD2-CD1 3.96Å; L128-I130 HydrophobicContact CD2-CG1 4.17Å; L128-I130 HydrophobicContact CG-CD1 4.31Å; L128-I130 HydrophobicContact CG-CG1 3.98Å; L128-Y146 HydrophobicContact CB-CE2 4.28Å; L128-Y146 WeakPolarHBondContact O-CE2 3.38Å; L128-Y146 PolarHBondContact O-OH 2.8Å
129	S	96.6	Very high	93.8	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.014	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	111.4	174.4	-61.4	0	0	0	0	111	V57 S58 G59 V143 R144	V57-S129 PolarHBondContact O-N 3.24Å; S58-S129 CarbonylContact C-O 3.59Å; S58-S129 WeakPolarHBondContact CA-O 3.41Å; G59-S129 PolarHBondContact N-O 2.92Å; S129-V143 CarbonylContact C-O 3.1Å; S129-V143 WeakPolarHBondContact CA-O 3.24Å; S129-R144 WeakPolarHBondContact OG-CG 3.29Å; S129-R144 PolarHBondContact OG-NE 3Å
130	I	97	Very high	93.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	129.2	179.5	-61.7	172	0	0	0	109.8	A64 L128 L132 V142 V143 Y146 A155 L156 S159	A64-I130 HydrophobicContact CB-CG1 4.36Å; A64-I130 HydrophobicContact CB-CG2 4.22Å; L128-I130 HydrophobicContact CD1-CG1 4.48Å; L128-I130 HydrophobicContact CD2-CD1 3.96Å; L128-I130 HydrophobicContact CD2-CG1 4.17Å; L128-I130 HydrophobicContact CG-CD1 4.31Å; L128-I130 HydrophobicContact CG-CG1 3.98Å; I130-L132 HydrophobicContact CG2-CD2 4.08Å; I130-L132 HydrophobicContact CG2-CG 4.42Å; I130-V142 WeakPolarHBondContact O-CA 3.34Å; I130-V143 PolarHBondContact N-O 2.91Å; I130-V143 PolarHBondContact O-N 2.78Å; I130-Y146 HydrophobicContact CD1-CE1 4.05Å; I130-Y146 VanDerWaalsContact CD1-OH 3.3Å; I130-Y146 WeakPolarHBondContact CD1-OH 3.48Å; I130-Y146 WeakPolarHBondContact CG1-OH 3.48Å; I130-A155 HydrophobicContact CD1-CB 3.79Å; I130-L156 HydrophobicContact CD1-CD2 3.59Å; I130-L156 HydrophobicContact CD1-CG 3.85Å; I130-L156 HydrophobicContact CG1-CD2 4.28Å; I130-S159 VanDerWaalsContact CG2-CB 3.45Å; I130-S159 WeakPolarHBondContact CG2-OG 3.4Å
131	S	95.3	Very high	93.5	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	127.9	172.3	-171.5	0	0	0	0	110.6	G59 T60 N140 S159 G181 N185	G59-S131 PolarHBondContact O-N 3.43Å; G59-S131 VanDerWaalsContact O-N 3.09Å; T60-S131 WeakPolarHBondContact OG1-CB 3.27Å; S131-N140 PolarHBondContact OG-ND2 3.44Å; S131-S159 PolarHBondContact O-OG 2.72Å; S131-G181 VanDerWaalsContact O-CA 3.32Å; S131-G181 WeakPolarHBondContact O-CA 3.35Å; S131-N185 PolarHBondContact OG-O 3.09Å
132	L	94.6	Very high	93.4	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	153.2	173.1	-59.2	-179	0	0	0	109.8	I130 N140 I141 V143 C158 S159 F173 V178	I130-L132 HydrophobicContact CG2-CD2 4.08Å; I130-L132 HydrophobicContact CG2-CG 4.42Å; L132-N140 CarbonylContact O-C 3.59Å; L132-N140 WeakPolarHBondContact O-CA 3.45Å; L132-N140 PolarHBondContact O-ND2 3.18Å; L132-N140 VanDerWaalsContact O-ND2 3.12Å; L132-I141 HydrophobicContact CB-CB 4.27Å; L132-I141 PolarHBondContact N-O 3.21Å; L132-I141 PolarHBondContact O-N 3.27Å; L132-V143 HydrophobicContact CD1-CG2 3.51Å; L132-V143 HydrophobicContact CG-CG2 4.17Å; L132-C158 HydrophobicContact CD1-CB 4.49Å; L132-C158 HydrophobicContact CD2-CB 3.77Å; L132-S159 VanDerWaalsContact CD2-CA 3.43Å; L132-S159 VanDerWaalsContact CD2-N 3.26Å; L132-F173 HydrophobicContact CD1-CB 4.42Å; L132-F173 HydrophobicContact CD1-CD1 3.9Å; L132-F173 HydrophobicContact CD1-CE1 4.39Å; L132-F173 HydrophobicContact CD1-CG 4.09Å; L132-V178 HydrophobicContact CD1-CG2 4.47Å
133	T	91.5	Very high	93.4	Very high	6 Å²	6	49.2 Å²	49.2	4%	0.037	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	123	172.2	-55.3	0	0	0	0	109.5	F135 V178 V179 D180 G181 L183 S184	T133-F135 PolarHBondContact O-N 2.91Å; T133-V178 CarbonylContact O-C 3.4Å; T133-V178 VanDerWaalsContact O-CA 3.28Å; T133-V178 WeakPolarHBondContact O-CA 3.3Å; T133-V179 HydrophobicContact CG2-CG2 4.18Å; T133-V179 PolarHBondContact N-O 3.45Å; T133-V179 PolarHBondContact O-N 3.21Å; T133-D180 VanDerWaalsContact CB-O 3.32Å; T133-D180 WeakPolarHBondContact CB-O 3.24Å; T133-D180 PolarHBondContact OG1-O 3.16Å; T133-G181 WeakPolarHBondContact OG1-CA 3.29Å; T133-G181 PolarHBondContact OG1-O 3.08Å; T133-L183 HydrophobicContact CG2-CB 4.17Å; T133-S184 WeakPolarHBondContact OG1-CB 3.3Å; T133-S184 PolarHBondContact OG1-N 2.99Å; T133-S184 PolarHBondContact OG1-OG 2.92Å
134	C	92.8	Very high	93.3	Very high	4 Å²	4	51.7 Å²	51.7	3%	0.027	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	122.4	172	-174.8	0	0	0	0	109.6	T136 T137 R138 K139 I141	C134-T136 VanDerWaalsContact C-N 3.34Å; C134-T136 PolarHBondContact O-N 3.21Å; C134-T136 PolarHBondContact SG-OG1 3.41Å; C134-T137 WeakPolarHBondContact CB-OG1 3.26Å; C134-T137 PolarHBondContact SG-OG1 3.31Å; C134-R138 WeakPolarHBondContact O-CA 3.11Å; C134-R138 PolarHBondContact O-N 3.28Å; C134-K139 WeakPolarHBondContact CB-O 3.42Å; C134-K139 PolarHBondContact N-O 3.42Å; C134-I141 HydrophobicContact CB-CD1 3.65Å; C134-I141 HydrophobicContact CB-CG1 4.19Å
135	F	88	Confident	93.3	Very high	108 Å²	108	57.8 Å²	57.8	47%	0.474	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-38.8	-176.1	-174.8	-105.3	0	0	0	112.3	T133 P170 P177 V179	T133-F135 PolarHBondContact O-N 2.91Å; F135-P170 HydrophobicContact CB-CB 4.48Å; F135-P170 HydrophobicContact CD1-CG 4.12Å; F135-P170 HydrophobicContact CD2-CB 4.45Å; F135-P170 HydrophobicContact CD2-CG 4.47Å; F135-P170 HydrophobicContact CE1-CG 4.44Å; F135-P170 HydrophobicContact CG-CB 4.34Å; F135-P170 HydrophobicContact CG-CG 4.12Å; F135-P177 HydrophobicContact CB-CB 4.11Å; F135-P177 HydrophobicContact CB-CG 4.35Å; F135-P177 WeakPolarHBondContact CB-O 3.4Å; F135-P177 PolarHBondContact N-O 3.06Å; F135-V179 HydrophobicContact CB-CG1 4.37Å; F135-V179 HydrophobicContact CD2-CG1 3.72Å; F135-V179 HydrophobicContact CD2-CG2 4.49Å; F135-V179 HydrophobicContact CG-CG1 4.43Å
136	T	88.6	Confident	93.4	Very high	101 Å²	101	57 Å²	57	62%	0.62	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-47.4	-177.4	52	0	0	0	0	112.5	C134 P177	C134-T136 VanDerWaalsContact C-N 3.34Å; C134-T136 PolarHBondContact O-N 3.21Å; C134-T136 PolarHBondContact SG-OG1 3.41Å; T136-P177 HydrophobicContact CG2-CG 3.84Å
137	T	90.2	Very high	93.5	Very high	80 Å²	80	60.3 Å²	60.3	49%	0.491	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-13.5	-175.2	66.2	0	0	0	0	113.8	C134 K139	C134-T137 WeakPolarHBondContact CB-OG1 3.26Å; C134-T137 PolarHBondContact SG-OG1 3.31Å; T137-K139 PolarHBondContact O-N 2.94Å; T137-K139 VanDerWaalsContact O-N 3.08Å; T137-K139 PolarHBondContact OG1-N 3.31Å
138	R	86.3	Confident	93.6	Very high	211 Å²	211	61.6 Å²	61.6	80%	0.796	29%	0.287	S	S	*	.			trans	57.2	13.2	-171.1	-54	-176.3	-176.7	173.3	0.8	114.6	C134	C134-R138 WeakPolarHBondContact O-CA 3.11Å; C134-R138 PolarHBondContact O-N 3.28Å
139	K	91.5	Very high	93.6	Very high	150 Å²	150	64.6 Å²	64.6	65%	0.652	30%	0.299	S	S	*	.			trans	-85.9	151.5	177.7	-65.6	-175.9	179.1	-178.8	0	110.8	C134 T137	C134-K139 WeakPolarHBondContact CB-O 3.42Å; C134-K139 PolarHBondContact N-O 3.42Å; T137-K139 PolarHBondContact O-N 2.94Å; T137-K139 VanDerWaalsContact O-N 3.08Å; T137-K139 PolarHBondContact OG1-N 3.31Å
140	N	92.5	Very high	93.6	Very high	51 Å²	51	69.7 Å²	69.7	27%	0.273	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	134.3	173.7	-171.2	-115.2	0	0	0	110.8	S131 L132 V142 S184 N185	S131-N140 PolarHBondContact OG-ND2 3.44Å; L132-N140 CarbonylContact O-C 3.59Å; L132-N140 WeakPolarHBondContact O-CA 3.45Å; L132-N140 PolarHBondContact O-ND2 3.18Å; L132-N140 VanDerWaalsContact O-ND2 3.12Å; N140-V142 VanDerWaalsContact OD1-CG2 3.28Å; N140-V142 WeakPolarHBondContact OD1-CG2 3.45Å; N140-S184 WeakPolarHBondContact CA-OG 3.25Å; N140-S184 WeakPolarHBondContact CB-OG 3.33Å; N140-S184 PolarHBondContact ND2-OG 3.48Å; N140-N185 HydrophobicContact CB-CB 4.38Å
141	I	93.3	Very high	93.5	Very high	47 Å²	47	70.7 Å²	70.7	24%	0.241	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	122.5	172.3	-61.9	172.8	0	0	0	106.8	L132 C134 V143 V178	L132-I141 HydrophobicContact CB-CB 4.27Å; L132-I141 PolarHBondContact N-O 3.21Å; L132-I141 PolarHBondContact O-N 3.27Å; C134-I141 HydrophobicContact CB-CD1 3.65Å; C134-I141 HydrophobicContact CB-CG1 4.19Å; I141-V143 HydrophobicContact CG2-CG2 4.38Å; I141-V178 HydrophobicContact CD1-CG1 4.21Å
142	V	95.3	Very high	93.6	Very high	43 Å²	43	70.7 Å²	70.7	26%	0.261	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	116.5	175.7	-176.7	0	0	0	0	109.6	I130 N140 R144 L188	I130-V142 WeakPolarHBondContact O-CA 3.34Å; N140-V142 VanDerWaalsContact OD1-CG2 3.28Å; N140-V142 WeakPolarHBondContact OD1-CG2 3.45Å; V142-R144 HydrophobicContact CG1-CG 3.99Å; V142-L188 HydrophobicContact CB-CD2 4.44Å; V142-L188 HydrophobicContact CG1-CD2 3.59Å; V142-L188 HydrophobicContact CG2-CD1 3.74Å; V142-L188 HydrophobicContact CG2-CD2 3.94Å
143	V	95.6	Very high	93.7	Very high	5 Å²	5	71 Å²	71	3%	0.03	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	125.3	176.6	-173.1	0	0	0	0	109.1	S129 I130 L132 I141 Y146 F173	S129-V143 CarbonylContact C-O 3.1Å; S129-V143 WeakPolarHBondContact CA-O 3.24Å; I130-V143 PolarHBondContact N-O 2.91Å; I130-V143 PolarHBondContact O-N 2.78Å; L132-V143 HydrophobicContact CD1-CG2 3.51Å; L132-V143 HydrophobicContact CG-CG2 4.17Å; I141-V143 HydrophobicContact CG2-CG2 4.38Å; V143-Y146 HydrophobicContact CB-CE1 4.42Å; V143-Y146 HydrophobicContact CG1-CD1 4.13Å; V143-Y146 HydrophobicContact CG1-CE1 3.56Å; V143-Y146 PolarHBondContact O-OH 2.93Å; V143-F173 HydrophobicContact CB-CE1 4.36Å; V143-F173 HydrophobicContact CG1-CE1 3.89Å; V143-F173 HydrophobicContact CG1-CZ 3.76Å; V143-F173 HydrophobicContact CG2-CD1 4.11Å; V143-F173 HydrophobicContact CG2-CE1 3.48Å; V143-F173 VanDerWaalsContact CG2-CE1 3.48Å; V143-F173 HydrophobicContact CG2-CZ 4.04Å
144	R	95.1	Very high	93.9	Very high	105 Å²	105	73.5 Å²	73.5	40%	0.396	34%	0.343	S	S	.	.			trans	-124.7	-22	-179.6	-61.2	-166.9	168.1	103.1	-5.3	114.9	S125 D126 S129 V142	S125-R144 WeakPolarHBondContact CA-O 3.45Å; D126-R144 PolarHBondContact N-O 3.12Å; S129-R144 WeakPolarHBondContact OG-CG 3.29Å; S129-R144 PolarHBondContact OG-NE 3Å; V142-R144 HydrophobicContact CG1-CG 3.99Å
145	K	96.3	Very high	94.1	Very high	128 Å²	128	73.3 Å²	73.3	56%	0.557	34%	0.342	S	S	*	.			trans	-120.6	135.6	-176.5	-67.9	-170.9	172.3	-171.4	0	109.7	D126 R174	D126-K145 WeakPolarHBondContact OD1-CE 3.36Å; K145-R174 PolarHBondContact O-NH2 3.32Å
146	Y	96.8	Very high	94.5	Very high	11 Å²	11	68.2 Å²	68.2	4%	0.043	32%	0.32	C	S	.	.			trans	-130.1	133.4	-174.6	-48.1	-89	0	0	0	109.7	C124 S125 L128 I130 V143 V152 A155	C124-Y146 HydrophobicContact CB-CD2 3.86Å; C124-Y146 HydrophobicContact CB-CE2 3.87Å; S125-Y146 PolarHBondContact OG-N 2.88Å; S125-Y146 PolarHBondContact OG-O 2.85Å; L128-Y146 HydrophobicContact CB-CE2 4.28Å; L128-Y146 WeakPolarHBondContact O-CE2 3.38Å; L128-Y146 PolarHBondContact O-OH 2.8Å; I130-Y146 HydrophobicContact CD1-CE1 4.05Å; I130-Y146 VanDerWaalsContact CD1-OH 3.3Å; I130-Y146 WeakPolarHBondContact CD1-OH 3.48Å; I130-Y146 WeakPolarHBondContact CG1-OH 3.48Å; V143-Y146 HydrophobicContact CB-CE1 4.42Å; V143-Y146 HydrophobicContact CG1-CD1 4.13Å; V143-Y146 HydrophobicContact CG1-CE1 3.56Å; V143-Y146 PolarHBondContact O-OH 2.93Å; Y146-V152 HydrophobicContact CD1-CB 4.29Å; Y146-V152 HydrophobicContact CD1-CG2 3.78Å; Y146-V152 HydrophobicContact CD2-CG2 4.15Å; Y146-V152 HydrophobicContact CG-CG2 3.57Å; Y146-A155 HydrophobicContact CE1-CB 3.91Å
147	K	95.5	Very high	94.8	Very high	168 Å²	168	63.8 Å²	63.8	73%	0.73	29%	0.292	S	S	*	.	S	Bend	trans	-80.8	-37.4	-177.7	-63	174.1	-178.7	-175.6	0	112.1	H121 E151	H121-K147 PolarHBondContact CD2-O 3.48Å; K147-E151 WeakPolarHBondContact CB-OE2 3.29Å; K147-E151 VanDerWaalsContact CG-OE2 3.22Å; K147-E151 WeakPolarHBondContact CG-OE2 3.43Å; K147-E151 PolarHBondContact N-OE2 2.87Å
148	N	96.4	Very high	95	Very high	74 Å²	74	60 Å²	60	40%	0.396	27%	0.269	S	S	.	.	S	Bend	trans	-151.8	169.8	-178.1	61.5	33.5	0	0	0	110.4	H121 D150 E151 V152	H121-N148 WeakPolarHBondContact CB-O 3.47Å; H121-N148 VanDerWaalsContact CG-CA 3.48Å; N148-D150 VanDerWaalsContact C-N 3.28Å; N148-D150 PolarHBondContact O-N 2.84Å; N148-D150 PolarHBondContact OD1-N 3.38Å; N148-E151 PolarHBondContact O-N 3Å; N148-E151 WeakPolarHBondContact OD1-CB 3.44Å; N148-E151 PolarHBondContact OD1-N 3.32Å; N148-V152 PolarHBondContact O-N 3.4Å
149	R	96.9	Very high	95.3	Very high	62 Å²	62	50 Å²	50	23%	0.234	23%	0.231	C	C	.	.	H	α-helix	trans	-57.7	-40	-179.2	177.9	178.6	-179.3	-128.4	3.9	112.5	S113 L116 P117 A120 H121 E151 V152 I153	S113-R149 VanDerWaalsContact C-NH2 3.3Å; S113-R149 PolarHBondContact O-NH2 2.93Å; L116-R149 PolarHBondContact O-NE 3.05Å; L116-R149 PolarHBondContact O-NH2 3.43Å; P117-R149 VanDerWaalsContact O-CD 3.29Å; P117-R149 WeakPolarHBondContact O-CD 3.46Å; P117-R149 PolarHBondContact O-NE 2.92Å; A120-R149 HydrophobicContact CB-CG 4.47Å; H121-R149 PolarHBondContact ND1-N 3.38Å; R149-E151 VanDerWaalsContact C-N 3.27Å; R149-E151 PolarHBondContact O-N 3.17Å; R149-V152 WeakPolarHBondContact O-CB 3.31Å; R149-V152 PolarHBondContact O-N 3.05Å; R149-V152 VanDerWaalsContact O-N 3.1Å; R149-I153 HydrophobicContact CG-CD1 4.12Å; R149-I153 WeakPolarHBondContact O-CG1 3.28Å; R149-I153 PolarHBondContact O-N 2.8Å
150	D	96.3	Very high	95.3	Very high	109 Å²	109	43.4 Å²	43.4	58%	0.583	21%	0.205	S	C	*	.	H	α-helix	trans	-64.2	-33.2	-179.8	-61.1	-37.6	0	0	0	112.1	N148 I153 Q154	N148-D150 VanDerWaalsContact C-N 3.28Å; N148-D150 PolarHBondContact O-N 2.84Å; N148-D150 PolarHBondContact OD1-N 3.38Å; D150-I153 PolarHBondContact O-N 3.08Å; D150-Q154 VanDerWaalsContact O-CB 3.28Å; D150-Q154 WeakPolarHBondContact O-CB 3.42Å; D150-Q154 PolarHBondContact O-N 3.36Å
151	E	96	Very high	95	Very high	22 Å²	22	41.4 Å²	41.4	10%	0.103	19%	0.194	C	C	.	.	H	α-helix	trans	-68.4	-34.7	174.7	-168.4	176.1	-164.3	0	0	112	K147 N148 R149 A155 F173 R174	K147-E151 WeakPolarHBondContact CB-OE2 3.29Å; K147-E151 VanDerWaalsContact CG-OE2 3.22Å; K147-E151 WeakPolarHBondContact CG-OE2 3.43Å; K147-E151 PolarHBondContact N-OE2 2.87Å; N148-E151 PolarHBondContact O-N 3Å; N148-E151 WeakPolarHBondContact OD1-CB 3.44Å; N148-E151 PolarHBondContact OD1-N 3.32Å; R149-E151 VanDerWaalsContact C-N 3.27Å; R149-E151 PolarHBondContact O-N 3.17Å; E151-A155 WeakPolarHBondContact O-CB 3.28Å; E151-A155 PolarHBondContact O-N 2.9Å; E151-F173 HydrophobicContact CG-CE2 3.78Å; E151-F173 HydrophobicContact CG-CZ 3.87Å; E151-R174 IonicContact OE1-CZ 3.15Å; E151-R174 IonicContact OE1-NE 3.62Å; E151-R174 PolarHBondContact OE1-NE 3.35Å; E151-R174 IonicContact OE1-NH2 2.73Å; E151-R174 PolarHBondContact OE1-NH2 3.17Å; E151-R174 IonicContact OE2-NH2 3.66Å
152	V	97	Very high	94.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63.6	-48.8	171.7	-176.8	0	0	0	0	109.9	L116 H121 C124 Y146 N148 R149 Q154 A155 L156	L116-V152 HydrophobicContact CD1-CG1 4.13Å; H121-V152 HydrophobicContact CB-CG2 3.92Å; C124-V152 HydrophobicContact CB-CG2 4.42Å; Y146-V152 HydrophobicContact CD1-CB 4.29Å; Y146-V152 HydrophobicContact CD1-CG2 3.78Å; Y146-V152 HydrophobicContact CD2-CG2 4.15Å; Y146-V152 HydrophobicContact CG-CG2 3.57Å; N148-V152 PolarHBondContact O-N 3.4Å; R149-V152 WeakPolarHBondContact O-CB 3.31Å; R149-V152 PolarHBondContact O-N 3.05Å; R149-V152 VanDerWaalsContact O-N 3.1Å; V152-Q154 VanDerWaalsContact C-N 3.34Å; V152-Q154 PolarHBondContact O-N 3.15Å; V152-A155 PolarHBondContact O-N 3.08Å; V152-L156 HydrophobicContact CG1-CD1 4.09Å; V152-L156 WeakPolarHBondContact O-CG 3.49Å; V152-L156 PolarHBondContact O-N 3.19Å
153	I	97	Very high	93.2	Very high	5 Å²	5	41.7 Å²	41.7	3%	0.026	20%	0.196	C	C	.	.	H	α-helix	trans	-58.5	-48.6	178.1	-65.9	170.3	0	0	0	109.9	K109 L112 L116 R149 D150 A155 L156 L157	K109-I153 HydrophobicContact CG-CG2 4.24Å; L112-I153 HydrophobicContact CB-CG1 4.21Å; L112-I153 HydrophobicContact CB-CG2 4.17Å; L112-I153 HydrophobicContact CD1-CG2 4.24Å; L116-I153 HydrophobicContact CD1-CG1 3.78Å; R149-I153 HydrophobicContact CG-CD1 4.12Å; R149-I153 WeakPolarHBondContact O-CG1 3.28Å; R149-I153 PolarHBondContact O-N 2.8Å; D150-I153 PolarHBondContact O-N 3.08Å; I153-A155 VanDerWaalsContact C-N 3.34Å; I153-A155 PolarHBondContact O-N 2.95Å; I153-L156 PolarHBondContact O-N 3.2Å; I153-L157 HydrophobicContact CG2-CD1 3.84Å; I153-L157 HydrophobicContact CG2-CG 4.27Å; I153-L157 VanDerWaalsContact O-CG 3.28Å; I153-L157 WeakPolarHBondContact O-CG 3.48Å; I153-L157 PolarHBondContact O-N 3.13Å
154	Q	95.7	Very high	91.9	Very high	60 Å²	60	46.9 Å²	46.9	28%	0.28	22%	0.222	S	C	.	.	H	α-helix	trans	-60.9	-42.2	179.3	-173	66.7	13.8	0	0	111.7	D150 V152 L157 C158 T172 F173	D150-Q154 VanDerWaalsContact O-CB 3.28Å; D150-Q154 WeakPolarHBondContact O-CB 3.42Å; D150-Q154 PolarHBondContact O-N 3.36Å; V152-Q154 VanDerWaalsContact C-N 3.34Å; V152-Q154 PolarHBondContact O-N 3.15Å; Q154-L157 PolarHBondContact O-N 2.69Å; Q154-C158 WeakPolarHBondContact O-CB 3.25Å; Q154-C158 PolarHBondContact O-N 3.39Å; Q154-C158 PolarHBondContact O-SG 2.88Å; Q154-T172 PolarHBondContact NE2-O 2.88Å; Q154-T172 VanDerWaalsContact NE2-O 3.08Å; Q154-F173 HydrophobicContact CB-CD2 4.42Å; Q154-F173 HydrophobicContact CG-CD2 3.97Å
155	A	96.5	Very high	90.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.5	-43.7	176.5	0	0	0	0	0	111.9	I130 Y146 E151 V152 I153 C158 S159 F173	I130-A155 HydrophobicContact CD1-CB 3.79Å; Y146-A155 HydrophobicContact CE1-CB 3.91Å; E151-A155 WeakPolarHBondContact O-CB 3.28Å; E151-A155 PolarHBondContact O-N 2.9Å; V152-A155 PolarHBondContact O-N 3.08Å; I153-A155 VanDerWaalsContact C-N 3.34Å; I153-A155 PolarHBondContact O-N 2.95Å; A155-C158 PolarHBondContact O-N 3.41Å; A155-S159 WeakPolarHBondContact O-CB 3.16Å; A155-S159 PolarHBondContact O-N 3.4Å; A155-F173 HydrophobicContact CB-CD2 4.32Å; A155-F173 HydrophobicContact CB-CE2 3.65Å; A155-F173 HydrophobicContact CB-CZ 4.01Å
156	L	96.5	Very high	89	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-63.8	-43.4	176.7	-70	169.3	0	0	0	111.9	A64 L65 A68 L112 L116 I130 V152 I153 S159 A160	A64-L156 HydrophobicContact CB-CD2 3.84Å; A64-L156 WeakPolarHBondContact O-CD2 3.1Å; L65-L156 HydrophobicContact CD2-CB 4.09Å; L65-L156 HydrophobicContact CD2-CD1 4.44Å; L65-L156 HydrophobicContact CD2-CD2 4.24Å; L65-L156 HydrophobicContact CD2-CG 4.49Å; A68-L156 HydrophobicContact CB-CD1 3.99Å; A68-L156 HydrophobicContact CB-CD2 4.18Å; L112-L156 HydrophobicContact CD1-CB 3.88Å; L112-L156 HydrophobicContact CD1-CD1 4.23Å; L112-L156 HydrophobicContact CD2-CD1 3.83Å; L116-L156 HydrophobicContact CD1-CD1 4.05Å; I130-L156 HydrophobicContact CD1-CD2 3.59Å; I130-L156 HydrophobicContact CD1-CG 3.85Å; I130-L156 HydrophobicContact CG1-CD2 4.28Å; V152-L156 HydrophobicContact CG1-CD1 4.09Å; V152-L156 WeakPolarHBondContact O-CG 3.49Å; V152-L156 PolarHBondContact O-N 3.19Å; I153-L156 PolarHBondContact O-N 3.2Å; L156-S159 PolarHBondContact O-N 2.9Å; L156-A160 PolarHBondContact O-N 2.88Å; L156-A160 VanDerWaalsContact O-N 3.08Å
157	L	94.3	Very high	87.7	Confident	8 Å²	8	38.2 Å²	38.2	4%	0.042	20%	0.197	C	C	.	.	H	α-helix	trans	-61.6	-45.5	175.9	-70.4	173.2	0	0	0	111.9	S105 L108 K109 L112 I153 Q154 S159 A160 Y161 L171	S105-L157 WeakPolarHBondContact O-CD2 3.11Å; L108-L157 HydrophobicContact CB-CD2 3.62Å; K109-L157 HydrophobicContact CB-CD1 3.78Å; K109-L157 HydrophobicContact CB-CD2 4.17Å; K109-L157 HydrophobicContact CD-CD1 4.28Å; K109-L157 HydrophobicContact CG-CD1 3.95Å; L112-L157 HydrophobicContact CD1-CD2 4.22Å; L112-L157 HydrophobicContact CD1-CG 4.3Å; I153-L157 HydrophobicContact CG2-CD1 3.84Å; I153-L157 HydrophobicContact CG2-CG 4.27Å; I153-L157 VanDerWaalsContact O-CG 3.28Å; I153-L157 WeakPolarHBondContact O-CG 3.48Å; I153-L157 PolarHBondContact O-N 3.13Å; Q154-L157 PolarHBondContact O-N 2.69Å; L157-S159 VanDerWaalsContact C-N 3.3Å; L157-S159 PolarHBondContact O-N 3.33Å; L157-A160 CarbonylContact O-C 3.59Å; L157-A160 PolarHBondContact O-N 3.3Å; L157-Y161 WeakPolarHBondContact O-CB 3.3Å; L157-Y161 PolarHBondContact O-N 3.09Å; L157-L171 HydrophobicContact CB-CD1 4.14Å
158	C	94	Very high	86.6	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.5	-39.4	176.1	-67.5	0	0	0	0	111.6	L132 Q154 A155 A160 Y161 L171 V178 V179 D180	L132-C158 HydrophobicContact CD1-CB 4.49Å; L132-C158 HydrophobicContact CD2-CB 3.77Å; Q154-C158 WeakPolarHBondContact O-CB 3.25Å; Q154-C158 PolarHBondContact O-N 3.39Å; Q154-C158 PolarHBondContact O-SG 2.88Å; A155-C158 PolarHBondContact O-N 3.41Å; C158-A160 VanDerWaalsContact C-N 3.25Å; C158-A160 PolarHBondContact O-N 3.46Å; C158-Y161 WeakPolarHBondContact O-CB 3.44Å; C158-Y161 PolarHBondContact O-N 3.21Å; C158-L171 VanDerWaalsContact SG-CB 3.59Å; C158-V178 HydrophobicContact CB-CG2 3.56Å; C158-V178 VanDerWaalsContact SG-CG2 3.58Å; C158-V179 CarbonylContact O-C 3.47Å; C158-V179 VanDerWaalsContact O-C 3.29Å; C158-D180 PolarHBondContact O-N 3.13Å
159	S	93.9	Very high	85.8	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-67.4	-25.8	179	-165.6	0	0	0	0	113	S61 I130 S131 L132 A155 L156 L157 D180 G181	S61-S159 VanDerWaalsContact CA-O 3.25Å; S61-S159 WeakPolarHBondContact CA-O 3.22Å; S61-S159 WeakPolarHBondContact CB-O 3.36Å; S61-S159 PolarHBondContact N-O 2.96Å; S61-S159 PolarHBondContact N-OG 2.91Å; I130-S159 VanDerWaalsContact CG2-CB 3.45Å; I130-S159 WeakPolarHBondContact CG2-OG 3.4Å; S131-S159 PolarHBondContact O-OG 2.72Å; L132-S159 VanDerWaalsContact CD2-CA 3.43Å; L132-S159 VanDerWaalsContact CD2-N 3.26Å; A155-S159 WeakPolarHBondContact O-CB 3.16Å; A155-S159 PolarHBondContact O-N 3.4Å; L156-S159 PolarHBondContact O-N 2.9Å; L157-S159 VanDerWaalsContact C-N 3.3Å; L157-S159 PolarHBondContact O-N 3.33Å; S159-D180 VanDerWaalsContact O-CA 3.28Å; S159-D180 WeakPolarHBondContact O-CA 3.4Å; S159-G181 PolarHBondContact O-N 3.37Å
160	A	90.8	Very high	85	Confident	13 Å²	13	39 Å²	39	11%	0.107	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	4.7	176.1	0	0	0	0	0	113.5	L108 L156 L157 C158 I162	L108-A160 HydrophobicContact CD1-CB 4.31Å; L156-A160 PolarHBondContact O-N 2.88Å; L156-A160 VanDerWaalsContact O-N 3.08Å; L157-A160 CarbonylContact O-C 3.59Å; L157-A160 PolarHBondContact O-N 3.3Å; C158-A160 VanDerWaalsContact C-N 3.25Å; C158-A160 PolarHBondContact O-N 3.46Å; A160-I162 PolarHBondContact O-N 3.16Å; A160-I162 VanDerWaalsContact O-N 3.13Å
161	Y	86.6	Confident	84.6	Confident	8 Å²	8	36 Å²	36	3%	0.031	20%	0.195	C	C	.	.			trans	-82	91.8	-178.2	-173.7	-87.2	0	0	0	110.6	L157 C158 P163 S166 G167 F168 V169 L171 V179 D180	L157-Y161 WeakPolarHBondContact O-CB 3.3Å; L157-Y161 PolarHBondContact O-N 3.09Å; C158-Y161 WeakPolarHBondContact O-CB 3.44Å; C158-Y161 PolarHBondContact O-N 3.21Å; Y161-P163 WeakPolarHBondContact O-CD 3.3Å; Y161-S166 WeakPolarHBondContact CE2-O 3.41Å; Y161-G167 WeakPolarHBondContact OH-CA 3.33Å; Y161-G167 PolarHBondContact OH-O 3.2Å; Y161-F168 PolarHBondContact OH-N 3.26Å; Y161-V169 VanDerWaalsContact CZ-O 3.22Å; Y161-V169 PolarHBondContact OH-N 3.22Å; Y161-V169 PolarHBondContact OH-O 3.41Å; Y161-L171 HydrophobicContact CD2-CD1 3.87Å; Y161-L171 HydrophobicContact CD2-CG 3.79Å; Y161-L171 HydrophobicContact CE2-CG 4.22Å; Y161-L171 HydrophobicContact CG-CD1 4.31Å; Y161-L171 HydrophobicContact CG-CG 4.23Å; Y161-V179 HydrophobicContact CD1-CB 4.42Å; Y161-V179 HydrophobicContact CD1-CG1 4.08Å; Y161-V179 HydrophobicContact CE1-CG1 4.45Å; Y161-D180 WeakPolarHBondContact O-CB 3.33Å; Y161-D180 PolarHBondContact O-N 3.13Å
162	I	80	Confident	84.3	Confident	53 Å²	53	38.7 Å²	38.7	27%	0.272	21%	0.213	S	C	.	.			trans	-85.4	120.7	173.9	-57.7	172.9	0	0	0	108.2	A160 F165 S166 D180	A160-I162 PolarHBondContact O-N 3.16Å; A160-I162 VanDerWaalsContact O-N 3.13Å; I162-F165 HydrophobicContact CB-CB 4.06Å; I162-F165 HydrophobicContact CG2-CB 4.1Å; I162-F165 PolarHBondContact O-N 3.3Å; I162-S166 PolarHBondContact N-OG 3.26Å; I162-S166 WeakPolarHBondContact O-CB 3.32Å; I162-S166 PolarHBondContact O-N 3.05Å; I162-S166 PolarHBondContact O-OG 3.45Å; I162-D180 HydrophobicContact CG1-CB 3.92Å; I162-D180 VanDerWaalsContact CG1-OD2 3.31Å; I162-D180 WeakPolarHBondContact CG1-OD2 3.44Å
163	P	69.4	Low	84.1	Confident	44 Å²	44	39.1 Å²	39.1	29%	0.286	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	151.1	175.9	-25.4	35.3	0	0	0	112.2	Y161 F165 V179 L183	Y161-P163 WeakPolarHBondContact O-CD 3.3Å; P163-F165 PolarHBondContact O-N 3.48Å; P163-V179 HydrophobicContact CG-CB 4.18Å; P163-V179 HydrophobicContact CG-CG1 3.92Å; P163-L183 HydrophobicContact CG-CD1 4.35Å
164	I	69.1	Low	84	Confident	113 Å²	113	45.6 Å²	45.6	58%	0.579	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.6	-45.2	-173.3	-52.6	168.7	0	0	0	112.1	G167 F168	I164-G167 PolarHBondContact N-O 3.08Å; I164-F168 HydrophobicContact CG1-CE1 4.22Å
165	F	66	Low	83.7	Confident	22 Å²	22	46 Å²	46	10%	0.096	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-43.3	-178.6	-170.7	-94.8	0	0	0	113	F32 P97 F98 I104 I162 P163 V253	F32-F165 HydrophobicContact CD2-CZ 4.5Å; F32-F165 HydrophobicContact CE2-CE2 4.39Å; F32-F165 AromaticContact CE2-CZ 3.62Å; F32-F165 HydrophobicContact CE2-CZ 3.62Å; F32-F165 HydrophobicContact CZ-CZ 4.1Å; P97-F165 HydrophobicContact CB-CD2 4.04Å; P97-F165 HydrophobicContact CB-CE1 4.17Å; P97-F165 HydrophobicContact CB-CE2 3.21Å; P97-F165 HydrophobicContact CB-CZ 3.28Å; P97-F165 HydrophobicContact CG-CD2 4.35Å; P97-F165 HydrophobicContact CG-CE2 3.44Å; P97-F165 VanDerWaalsContact CG-CE2 3.44Å; P97-F165 HydrophobicContact CG-CZ 3.9Å; F98-F165 HydrophobicContact CD1-CD2 4.24Å; F98-F165 AromaticContact CE1-CD2 3.86Å; F98-F165 HydrophobicContact CE1-CD2 3.86Å; F98-F165 HydrophobicContact CZ-CD2 4.19Å; F98-F165 HydrophobicContact CZ-CE2 4.45Å; I104-F165 HydrophobicContact CD1-CE1 3.7Å; I104-F165 HydrophobicContact CD1-CZ 4.45Å; I104-F165 HydrophobicContact CG2-CD1 4.27Å; I104-F165 HydrophobicContact CG2-CE1 4.3Å; I162-F165 HydrophobicContact CB-CB 4.06Å; I162-F165 HydrophobicContact CG2-CB 4.1Å; I162-F165 PolarHBondContact O-N 3.3Å; P163-F165 PolarHBondContact O-N 3.48Å; F165-V253 WeakPolarHBondContact CE2-O 3.14Å
166	S	64.5	Low	83.4	Confident	16 Å²	16	50.8 Å²	50.8	11%	0.112	28%	0.281	C	S	.	.	S	Bend	trans	-96.8	-0.1	178.8	-54.5	0	0	0	0	112.9	I104 Y161 I162	I104-S166 WeakPolarHBondContact CG2-OG 3.47Å; Y161-S166 WeakPolarHBondContact CE2-O 3.41Å; I162-S166 PolarHBondContact N-OG 3.26Å; I162-S166 WeakPolarHBondContact O-CB 3.32Å; I162-S166 PolarHBondContact O-N 3.05Å; I162-S166 PolarHBondContact O-OG 3.45Å
167	G	69.2	Low	83.3	Confident	25 Å²	25	52.6 Å²	52.6	26%	0.258	29%	0.293	S	S	.	.			trans	124.5	179.3	-173.6	0	0	0	0	0	113	Y161 I164	Y161-G167 WeakPolarHBondContact OH-CA 3.33Å; Y161-G167 PolarHBondContact OH-O 3.2Å; I164-G167 PolarHBondContact N-O 3.08Å
168	F	73.3	Confident	83.2	Confident	178 Å²	178	52.2 Å²	52.2	78%	0.781	29%	0.291	S	S	*	.	S	Bend	trans	-98.2	-15.4	-179.4	-63.6	-78.5	0	0	0	113.8	Y161 I164	Y161-F168 PolarHBondContact OH-N 3.26Å; I164-F168 HydrophobicContact CG1-CE1 4.22Å
169	V	78.7	Confident	83	Confident	116 Å²	116	52.4 Å²	52.4	70%	0.703	29%	0.293	S	S	*	.	S	Bend	trans	-104.1	111.3	-175	-178.2	0	0	0	0	109.6	Y161	Y161-V169 VanDerWaalsContact CZ-O 3.22Å; Y161-V169 PolarHBondContact OH-N 3.22Å; Y161-V169 PolarHBondContact OH-O 3.41Å
170	P	80.2	Confident	82.8	Confident	26 Å²	26	52.9 Å²	52.9	17%	0.169	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-61.1	145.1	-179	26.9	-34.4	0	0	0	111.4	F135 P177 V179	F135-P170 HydrophobicContact CB-CB 4.48Å; F135-P170 HydrophobicContact CD1-CG 4.12Å; F135-P170 HydrophobicContact CD2-CB 4.45Å; F135-P170 HydrophobicContact CD2-CG 4.47Å; F135-P170 HydrophobicContact CE1-CG 4.44Å; F135-P170 HydrophobicContact CG-CB 4.34Å; F135-P170 HydrophobicContact CG-CG 4.12Å; P170-P177 HydrophobicContact CB-CB 4.37Å; P170-P177 HydrophobicContact CG-CB 4.03Å; P170-V179 HydrophobicContact CB-CG1 3.75Å
171	L	87.2	Confident	82.5	Confident	45 Å²	45	52.2 Å²	52.2	24%	0.236	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	151	174.6	-65.4	177.3	0	0	0	110.4	L157 C158 Y161 V178	L157-L171 HydrophobicContact CB-CD1 4.14Å; C158-L171 VanDerWaalsContact SG-CB 3.59Å; Y161-L171 HydrophobicContact CD2-CD1 3.87Å; Y161-L171 HydrophobicContact CD2-CG 3.79Å; Y161-L171 HydrophobicContact CE2-CG 4.22Å; Y161-L171 HydrophobicContact CG-CD1 4.31Å; Y161-L171 HydrophobicContact CG-CG 4.23Å; L171-V178 WeakPolarHBondContact O-CG2 3.47Å; L171-V178 PolarHBondContact O-N 3.48Å
172	T	91.1	Very high	82.4	Confident	79 Å²	79	52.4 Å²	52.4	49%	0.485	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	130.9	175.4	-57.5	0	0	0	0	109.9	Q154 Q176	Q154-T172 PolarHBondContact NE2-O 2.88Å; Q154-T172 VanDerWaalsContact NE2-O 3.08Å; T172-Q176 CarbonylContact C-O 3.49Å; T172-Q176 WeakPolarHBondContact CA-O 3.37Å
173	F	92.7	Very high	82.6	Confident	10 Å²	10	54.1 Å²	54.1	4%	0.044	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	121.6	170.5	-171.5	-99.2	0	0	0	109	L132 V143 E151 Q154 A155 G175 Q176 V178	L132-F173 HydrophobicContact CD1-CB 4.42Å; L132-F173 HydrophobicContact CD1-CD1 3.9Å; L132-F173 HydrophobicContact CD1-CE1 4.39Å; L132-F173 HydrophobicContact CD1-CG 4.09Å; V143-F173 HydrophobicContact CB-CE1 4.36Å; V143-F173 HydrophobicContact CG1-CE1 3.89Å; V143-F173 HydrophobicContact CG1-CZ 3.76Å; V143-F173 HydrophobicContact CG2-CD1 4.11Å; V143-F173 HydrophobicContact CG2-CE1 3.48Å; V143-F173 VanDerWaalsContact CG2-CE1 3.48Å; V143-F173 HydrophobicContact CG2-CZ 4.04Å; E151-F173 HydrophobicContact CG-CE2 3.78Å; E151-F173 HydrophobicContact CG-CZ 3.87Å; Q154-F173 HydrophobicContact CB-CD2 4.42Å; Q154-F173 HydrophobicContact CG-CD2 3.97Å; A155-F173 HydrophobicContact CB-CD2 4.32Å; A155-F173 HydrophobicContact CB-CE2 3.65Å; A155-F173 HydrophobicContact CB-CZ 4.01Å; F173-G175 PolarHBondContact O-N 3.39Å; F173-Q176 PolarHBondContact N-O 3.14Å; F173-Q176 PolarHBondContact O-N 2.82Å; F173-V178 HydrophobicContact CB-CG1 4.35Å; F173-V178 HydrophobicContact CB-CG2 3.49Å; F173-V178 VanDerWaalsContact CB-CG2 3.49Å
174	R	93.6	Very high	83.3	Confident	141 Å²	141	53.4 Å²	53.4	53%	0.532	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	41.5	-176.2	-63	-178.1	173.5	174.6	1	114	K145 E151 Q176	K145-R174 PolarHBondContact O-NH2 3.32Å; E151-R174 IonicContact OE1-CZ 3.15Å; E151-R174 IonicContact OE1-NE 3.62Å; E151-R174 PolarHBondContact OE1-NE 3.35Å; E151-R174 IonicContact OE1-NH2 2.73Å; E151-R174 PolarHBondContact OE1-NH2 3.17Å; E151-R174 IonicContact OE2-NH2 3.66Å; R174-Q176 VanDerWaalsContact C-N 3.27Å; R174-Q176 PolarHBondContact O-N 3.16Å
175	G	90.6	Very high	84.1	Confident	68 Å²	68	49.2 Å²	49.2	70%	0.701	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	0.5	179.6	0	0	0	0	0	115.3	F173	F173-G175 PolarHBondContact O-N 3.39Å
176	Q	90.7	Very high	85.2	Confident	100 Å²	100	49.2 Å²	49.2	47%	0.467	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	137.2	177	-63.1	-174.3	-4.3	0	0	111.4	T172 F173 R174 V178	T172-Q176 CarbonylContact C-O 3.49Å; T172-Q176 WeakPolarHBondContact CA-O 3.37Å; F173-Q176 PolarHBondContact N-O 3.14Å; F173-Q176 PolarHBondContact O-N 2.82Å; R174-Q176 VanDerWaalsContact C-N 3.27Å; R174-Q176 PolarHBondContact O-N 3.16Å; Q176-V178 PolarHBondContact O-N 3.31Å
177	P	92.7	Very high	86.3	Confident	39 Å²	39	48.6 Å²	48.6	25%	0.253	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	126.1	172.8	30.1	-34.4	0	0	0	109.9	F135 T136 P170	F135-P177 HydrophobicContact CB-CB 4.11Å; F135-P177 HydrophobicContact CB-CG 4.35Å; F135-P177 WeakPolarHBondContact CB-O 3.4Å; F135-P177 PolarHBondContact N-O 3.06Å; T136-P177 HydrophobicContact CG2-CG 3.84Å; P170-P177 HydrophobicContact CB-CB 4.37Å; P170-P177 HydrophobicContact CG-CB 4.03Å
178	V	92.6	Very high	87.2	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.006	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	154.9	-176.3	-66.6	0	0	0	0	111.1	L132 T133 I141 C158 L171 F173 Q176	L132-V178 HydrophobicContact CD1-CG2 4.47Å; T133-V178 CarbonylContact O-C 3.4Å; T133-V178 VanDerWaalsContact O-CA 3.28Å; T133-V178 WeakPolarHBondContact O-CA 3.3Å; I141-V178 HydrophobicContact CD1-CG1 4.21Å; C158-V178 HydrophobicContact CB-CG2 3.56Å; C158-V178 VanDerWaalsContact SG-CG2 3.58Å; L171-V178 WeakPolarHBondContact O-CG2 3.47Å; L171-V178 PolarHBondContact O-N 3.48Å; F173-V178 HydrophobicContact CB-CG1 4.35Å; F173-V178 HydrophobicContact CB-CG2 3.49Å; F173-V178 VanDerWaalsContact CB-CG2 3.49Å; Q176-V178 PolarHBondContact O-N 3.31Å
179	V	90.2	Very high	87.7	Confident	4 Å²	4	41.5 Å²	41.5	2%	0.024	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	-179.6	178.7	-61.4	0	0	0	0	109.8	T133 F135 C158 Y161 P163 P170 G181 L183	T133-V179 HydrophobicContact CG2-CG2 4.18Å; T133-V179 PolarHBondContact N-O 3.45Å; T133-V179 PolarHBondContact O-N 3.21Å; F135-V179 HydrophobicContact CB-CG1 4.37Å; F135-V179 HydrophobicContact CD2-CG1 3.72Å; F135-V179 HydrophobicContact CD2-CG2 4.49Å; F135-V179 HydrophobicContact CG-CG1 4.43Å; C158-V179 CarbonylContact O-C 3.47Å; C158-V179 VanDerWaalsContact O-C 3.29Å; Y161-V179 HydrophobicContact CD1-CB 4.42Å; Y161-V179 HydrophobicContact CD1-CG1 4.08Å; Y161-V179 HydrophobicContact CE1-CG1 4.45Å; P163-V179 HydrophobicContact CG-CB 4.18Å; P163-V179 HydrophobicContact CG-CG1 3.92Å; P170-V179 HydrophobicContact CB-CG1 3.75Å; V179-G181 PolarHBondContact O-N 3.08Å; V179-L183 HydrophobicContact CB-CD1 4.43Å; V179-L183 HydrophobicContact CG2-CD1 3.76Å
180	D	88.8	Confident	87.9	Confident	9 Å²	9	38.2 Å²	38.2	5%	0.048	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-46.8	129.9	-176.8	-167.3	-61	0	0	0	112.2	S61 T133 C158 S159 Y161 I162 G182 L183	S61-D180 WeakPolarHBondContact CB-OD2 3.21Å; S61-D180 PolarHBondContact OG-OD2 3.42Å; T133-D180 VanDerWaalsContact CB-O 3.32Å; T133-D180 WeakPolarHBondContact CB-O 3.24Å; T133-D180 PolarHBondContact OG1-O 3.16Å; C158-D180 PolarHBondContact O-N 3.13Å; S159-D180 VanDerWaalsContact O-CA 3.28Å; S159-D180 WeakPolarHBondContact O-CA 3.4Å; Y161-D180 WeakPolarHBondContact O-CB 3.33Å; Y161-D180 PolarHBondContact O-N 3.13Å; I162-D180 HydrophobicContact CG1-CB 3.92Å; I162-D180 VanDerWaalsContact CG1-OD2 3.31Å; I162-D180 WeakPolarHBondContact CG1-OD2 3.44Å; D180-G182 PolarHBondContact O-N 3.39Å; D180-G182 WeakPolarHBondContact OD1-CA 3.38Å; D180-G182 PolarHBondContact OD1-N 2.85Å; D180-L183 WeakPolarHBondContact O-CB 3.43Å; D180-L183 PolarHBondContact O-N 2.97Å
181	G	86.4	Confident	88	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-63.4	-22.8	-178.5	0	0	0	0	0	113.2	S131 T133 S159 V179 L183 S184 N185	S131-G181 VanDerWaalsContact O-CA 3.32Å; S131-G181 WeakPolarHBondContact O-CA 3.35Å; T133-G181 WeakPolarHBondContact OG1-CA 3.29Å; T133-G181 PolarHBondContact OG1-O 3.08Å; S159-G181 PolarHBondContact O-N 3.37Å; V179-G181 PolarHBondContact O-N 3.08Å; G181-L183 PolarHBondContact O-N 3.35Å; G181-S184 PolarHBondContact O-N 2.85Å; G181-S184 PolarHBondContact O-OG 3.46Å; G181-N185 CarbonylContact O-C 3.56Å; G181-N185 PolarHBondContact O-N 2.87Å
182	G	84.3	Confident	87.8	Confident	11 Å²	11	47.4 Å²	47.4	11%	0.113	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-61.8	-23.1	178.5	0	0	0	0	0	112.5	D180 S184 L235	D180-G182 PolarHBondContact O-N 3.39Å; D180-G182 WeakPolarHBondContact OD1-CA 3.38Å; D180-G182 PolarHBondContact OD1-N 2.85Å; G182-S184 VanDerWaalsContact C-N 3.25Å; G182-S184 PolarHBondContact O-N 2.87Å; G182-L235 WeakPolarHBondContact O-CB 3.29Å; G182-L235 WeakPolarHBondContact O-CD1 3.29Å
183	L	82.7	Confident	87.5	Confident	90 Å²	90	46.6 Å²	46.6	47%	0.471	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-73.8	-10.2	176.4	-63.1	-179.2	0	0	0	114.3	T133 P163 V179 D180 G181	T133-L183 HydrophobicContact CG2-CB 4.17Å; P163-L183 HydrophobicContact CG-CD1 4.35Å; V179-L183 HydrophobicContact CB-CD1 4.43Å; V179-L183 HydrophobicContact CG2-CD1 3.76Å; D180-L183 WeakPolarHBondContact O-CB 3.43Å; D180-L183 PolarHBondContact O-N 2.97Å; G181-L183 PolarHBondContact O-N 3.35Å
184	S	83.9	Confident	87.4	Confident	28 Å²	28	46.4 Å²	46.4	20%	0.196	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.4	-41.1	175.8	56.8	0	0	0	0	113.2	T133 N140 G181 G182	T133-S184 WeakPolarHBondContact OG1-CB 3.3Å; T133-S184 PolarHBondContact OG1-N 2.99Å; T133-S184 PolarHBondContact OG1-OG 2.92Å; N140-S184 WeakPolarHBondContact CA-OG 3.25Å; N140-S184 WeakPolarHBondContact CB-OG 3.33Å; N140-S184 PolarHBondContact ND2-OG 3.48Å; G181-S184 PolarHBondContact O-N 2.85Å; G181-S184 PolarHBondContact O-OG 3.46Å; G182-S184 VanDerWaalsContact C-N 3.25Å; G182-S184 PolarHBondContact O-N 2.87Å
185	N	87.3	Confident	87.4	Confident	26 Å²	26	40 Å²	40	14%	0.139	23%	0.228	C	C	.	.			trans	-152.4	99.6	177.1	-171.6	-8.7	0	0	0	110	T60 S131 N140 G181 L187 N236	T60-N185 PolarHBondContact OG1-O 3.22Å; S131-N185 PolarHBondContact OG-O 3.09Å; N140-N185 HydrophobicContact CB-CB 4.38Å; G181-N185 CarbonylContact O-C 3.56Å; G181-N185 PolarHBondContact O-N 2.87Å; N185-L187 VanDerWaalsContact C-N 3.35Å; N185-L187 VanDerWaalsContact OD1-C 3.28Å; N185-L187 PolarHBondContact OD1-N 3.31Å; N185-L187 PolarHBondContact OD1-O 3.37Å; N185-N236 WeakPolarHBondContact OD1-CB 3.34Å; N185-N236 PolarHBondContact OD1-ND2 3.38Å
186	N	87.8	Confident	87.5	Confident	22 Å²	22	39.7 Å²	39.7	12%	0.118	21%	0.207	C	C	.	.	S	Bend	trans	-75.8	-24.3	-177.1	-160.4	32.2	0	0	0	113.1	A28 G29 T60 L235 L237	A28-N186 WeakPolarHBondContact CA-O 3.33Å; G29-N186 WeakPolarHBondContact CA-OD1 3.36Å; G29-N186 PolarHBondContact N-O 2.98Å; G29-N186 PolarHBondContact N-OD1 3.44Å; G29-N186 PolarHBondContact O-ND2 3.45Å; G29-N186 PolarHBondContact O-OD1 3.22Å; T60-N186 VanDerWaalsContact CB-O 3.3Å; T60-N186 WeakPolarHBondContact CB-O 3.39Å; T60-N186 PolarHBondContact OG1-O 3.05Å; T60-N186 VanDerWaalsContact OG1-O 3.05Å; N186-L235 PolarHBondContact N-O 3.16Å; N186-L237 HydrophobicContact CB-CB 4.33Å; N186-L237 WeakPolarHBondContact ND2-CD2 3.37Å
187	L	88.3	Confident	87.8	Confident	2 Å²	2	34.9 Å²	34.9	1%	0.01	19%	0.185	C	C	.	.	S	Bend	trans	-133	85.2	-176.7	-171.3	58.5	0	0	0	110.8	A28 N185 S189 K196 N236 L237	A28-L187 HydrophobicContact CB-CD1 4.08Å; N185-L187 VanDerWaalsContact C-N 3.35Å; N185-L187 VanDerWaalsContact OD1-C 3.28Å; N185-L187 PolarHBondContact OD1-N 3.31Å; N185-L187 PolarHBondContact OD1-O 3.37Å; L187-S189 PolarHBondContact O-N 2.75Å; L187-K196 HydrophobicContact CD1-CB 4.36Å; L187-K196 HydrophobicContact CD1-CG 4.42Å; L187-K196 HydrophobicContact CD2-CB 4Å; L187-K196 HydrophobicContact CD2-CD 3.84Å; L187-K196 HydrophobicContact CD2-CG 4.01Å; L187-K196 HydrophobicContact CG-CB 4.43Å; L187-K196 HydrophobicContact CG-CD 4.31Å; L187-K196 HydrophobicContact CG-CG 4.16Å; L187-N236 PolarHBondContact O-ND2 3.04Å; L187-L237 HydrophobicContact CD2-CD1 4.11Å
188	L	87.1	Confident	87.9	Confident	10 Å²	10	33 Å²	33	5%	0.052	17%	0.173	C	C	.	.			trans	-69.9	111.4	-173.9	179.5	66.1	0	0	0	111.4	S26 S58 V142	S26-L188 VanDerWaalsContact CB-O 3.23Å; S26-L188 WeakPolarHBondContact CB-O 2.97Å; S26-L188 PolarHBondContact OG-N 3.29Å; S26-L188 PolarHBondContact OG-O 2.82Å; S58-L188 PolarHBondContact OG-O 3.44Å; V142-L188 HydrophobicContact CB-CD2 4.44Å; V142-L188 HydrophobicContact CG1-CD2 3.59Å; V142-L188 HydrophobicContact CG2-CD1 3.74Å; V142-L188 HydrophobicContact CG2-CD2 3.94Å
189	S	85.6	Confident	87.8	Confident	44 Å²	44	33 Å²	33	31%	0.308	17%	0.172	S	C	.	.			trans	-88.3	123	174.9	-56.7	0	0	0	0	110.3	L187 K196	L187-S189 PolarHBondContact O-N 2.75Å; S189-K196 WeakPolarHBondContact OG-CE 3.45Å
190	I	81.8	Confident	87.6	Confident	48 Å²	48	32.9 Å²	32.9	25%	0.246	17%	0.172	C	C	.	.	S	Bend	trans	-82.4	-41.7	-179.5	-64.5	164	0	0	0	110.4	N24 P56 T194	N24-I190 HydrophobicContact CB-CB 4.46Å; N24-I190 HydrophobicContact CB-CD1 3.99Å; P56-I190 HydrophobicContact CB-CD1 3.78Å; I190-T194 PolarHBondContact N-OG1 3.41Å; I190-T194 VanDerWaalsContact N-OG1 3.15Å
191	N	83.7	Confident	87.5	Confident	56 Å²	56	32.5 Å²	32.5	30%	0.299	17%	0.169	S	C	.	.	S	Bend	trans	-152.8	178	176.9	65.1	2.6	0	0	0	109.9	K22 N24 Q193 T194	K22-N191 PolarHBondContact O-ND2 3.48Å; N24-N191 PolarHBondContact ND2-ND2 2.91Å; N24-N191 PolarHBondContact ND2-OD1 3.38Å; N191-Q193 PolarHBondContact O-N 3.45Å; N191-Q193 VanDerWaalsContact O-N 3.15Å; N191-Q193 VanDerWaalsContact OD1-C 3.32Å; N191-Q193 PolarHBondContact OD1-N 3.43Å; N191-Q193 VanDerWaalsContact OD1-N 3.16Å; N191-T194 PolarHBondContact N-OG1 3.32Å; N191-T194 WeakPolarHBondContact O-CB 3.46Å; N191-T194 PolarHBondContact O-N 3.18Å; N191-T194 PolarHBondContact O-OG1 2.85Å; N191-T194 PolarHBondContact OD1-N 2.89Å; N191-T194 PolarHBondContact OD1-OG1 2.91Å
192	Q	82.2	Confident	87.4	Confident	207 Å²	207	33.4 Å²	33.4	97%	0.967	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-17.1	177.7	-68.9	176.6	-18.1	0	0	113.9
193	Q	83.9	Confident	87.4	Confident	62 Å²	62	38.9 Å²	38.9	29%	0.29	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	14.5	179.9	-61.4	175.2	-47.8	0	0	112.5	P19 K22 H23 N24 N191 I195	P19-Q193 PolarHBondContact O-NE2 3.3Å; P19-Q193 PolarHBondContact O-OE1 3.26Å; K22-Q193 PolarHBondContact O-OE1 3.36Å; H23-Q193 WeakPolarHBondContact CA-O 3.37Å; N24-Q193 PolarHBondContact N-O 3.3Å; N191-Q193 PolarHBondContact O-N 3.45Å; N191-Q193 VanDerWaalsContact O-N 3.15Å; N191-Q193 VanDerWaalsContact OD1-C 3.32Å; N191-Q193 PolarHBondContact OD1-N 3.43Å; N191-Q193 VanDerWaalsContact OD1-N 3.16Å; Q193-I195 PolarHBondContact O-N 2.91Å
194	T	90.8	Very high	87.6	Confident	7 Å²	7	35.2 Å²	35.2	4%	0.043	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	115.4	178.3	-59	0	0	0	0	109.4	N24 S26 I190 N191 K196	N24-T194 HydrophobicContact CB-CG2 4.34Å; N24-T194 CarbonylContact O-C 3.59Å; N24-T194 WeakPolarHBondContact O-CA 3.5Å; S26-T194 VanDerWaalsContact CB-CG2 3.5Å; I190-T194 PolarHBondContact N-OG1 3.41Å; I190-T194 VanDerWaalsContact N-OG1 3.15Å; N191-T194 PolarHBondContact N-OG1 3.32Å; N191-T194 WeakPolarHBondContact O-CB 3.46Å; N191-T194 PolarHBondContact O-N 3.18Å; N191-T194 PolarHBondContact O-OG1 2.85Å; N191-T194 PolarHBondContact OD1-N 2.89Å; N191-T194 PolarHBondContact OD1-OG1 2.91Å; T194-K196 PolarHBondContact O-N 2.72Å
195	I	93.3	Very high	88	Confident	7 Å²	7	36.4 Å²	36.4	4%	0.036	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	119.7	173.4	-61.8	163.1	0	0	0	108.1	H23 N24 L25 S26 L51 Q193 D205 I206 F275 F281	H23-I195 HydrophobicContact CB-CD1 4.12Å; N24-I195 PolarHBondContact O-N 3.18Å; L25-I195 HydrophobicContact CD2-CB 3.99Å; L25-I195 HydrophobicContact CD2-CD1 4.39Å; L25-I195 HydrophobicContact CD2-CG2 4.06Å; S26-I195 PolarHBondContact N-O 3.2Å; L51-I195 HydrophobicContact CD1-CD1 4.07Å; L51-I195 HydrophobicContact CD2-CD1 3.93Å; Q193-I195 PolarHBondContact O-N 2.91Å; I195-D205 WeakPolarHBondContact CA-OD2 3.15Å; I195-D205 HydrophobicContact CG2-CB 3.91Å; I195-I206 HydrophobicContact CG2-CD1 4.07Å; I195-I206 HydrophobicContact CG2-CG1 4.24Å; I195-F275 HydrophobicContact CD1-CE1 3.98Å; I195-F275 HydrophobicContact CD1-CZ 4.35Å; I195-F275 HydrophobicContact CG1-CE1 4.17Å; I195-F275 HydrophobicContact CG1-CZ 4.09Å; I195-F275 HydrophobicContact CG2-CD1 4.46Å; I195-F275 HydrophobicContact CG2-CE1 3.72Å; I195-F275 HydrophobicContact CG2-CZ 3.85Å; I195-F281 HydrophobicContact CD1-CE2 4.15Å; I195-F281 HydrophobicContact CD1-CZ 4.06Å
196	K	94.4	Very high	88.3	Confident	60 Å²	60	35.2 Å²	35.2	26%	0.261	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	127.7	-175.3	-72.1	176.6	-173.9	-175.5	0	111.9	L187 S189 T194 D205 I206	L187-K196 HydrophobicContact CD1-CB 4.36Å; L187-K196 HydrophobicContact CD1-CG 4.42Å; L187-K196 HydrophobicContact CD2-CB 4Å; L187-K196 HydrophobicContact CD2-CD 3.84Å; L187-K196 HydrophobicContact CD2-CG 4.01Å; L187-K196 HydrophobicContact CG-CB 4.43Å; L187-K196 HydrophobicContact CG-CD 4.31Å; L187-K196 HydrophobicContact CG-CG 4.16Å; S189-K196 WeakPolarHBondContact OG-CE 3.45Å; T194-K196 PolarHBondContact O-N 2.72Å; K196-D205 PolarHBondContact N-OD2 3.2Å; K196-D205 WeakPolarHBondContact O-CB 3.49Å; K196-D205 PolarHBondContact O-N 3.42Å; K196-I206 PolarHBondContact O-N 2.85Å
197	V	96.3	Very high	88.4	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	124.3	-179.6	-172.1	0	0	0	0	110.4	S26 F27 A28 Y36 V40 I206	S26-V197 WeakPolarHBondContact O-CB 3.43Å; S26-V197 PolarHBondContact O-N 3.07Å; F27-V197 HydrophobicContact CD1-CB 3.72Å; F27-V197 HydrophobicContact CD1-CG1 3.82Å; F27-V197 HydrophobicContact CD1-CG2 4.02Å; F27-V197 HydrophobicContact CE1-CB 4Å; F27-V197 HydrophobicContact CE1-CG1 3.96Å; F27-V197 HydrophobicContact CE1-CG2 3.83Å; F27-V197 HydrophobicContact CG-CB 4.37Å; F27-V197 HydrophobicContact CZ-CG2 4.27Å; A28-V197 WeakPolarHBondContact CB-O 3.41Å; A28-V197 PolarHBondContact N-O 3.11Å; Y36-V197 HydrophobicContact CE1-CG1 4.25Å; V40-V197 HydrophobicContact CB-CG1 4.23Å; V40-V197 HydrophobicContact CG1-CG1 3.85Å; V40-V197 HydrophobicContact CG1-CG2 4.29Å; V40-V197 HydrophobicContact CG2-CG1 3.84Å; V197-I206 WeakPolarHBondContact CA-O 3.43Å; V197-I206 HydrophobicContact CB-CB 4.48Å; V197-I206 HydrophobicContact CG1-CB 4.25Å; V197-I206 HydrophobicContact CG1-CG2 4.21Å; V197-I206 HydrophobicContact CG2-CB 4.17Å; V197-I206 HydrophobicContact CG2-CD1 4.13Å
198	S	93.8	Very high	88.4	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.182	C	C	.	.			trans	-142.7	137	179.9	173.7	0	0	0	0	111.5	Y36 F200 S204 I206 C207 P208 L237	Y36-S198 WeakPolarHBondContact CE1-O 3.24Å; S198-F200 PolarHBondContact O-N 2.71Å; S198-F200 PolarHBondContact OG-N 3.22Å; S198-F200 PolarHBondContact OG-O 2.7Å; S198-S204 VanDerWaalsContact CB-OG 3.29Å; S198-S204 WeakPolarHBondContact CB-OG 3.22Å; S198-I206 PolarHBondContact N-O 3.32Å; S198-C207 VanDerWaalsContact O-CA 3.29Å; S198-C207 WeakPolarHBondContact O-CA 3.36Å; S198-C207 VanDerWaalsContact O-CB 3.29Å; S198-C207 WeakPolarHBondContact O-CB 3.49Å; S198-P208 WeakPolarHBondContact O-CD 3.16Å; S198-L237 WeakPolarHBondContact OG-CD1 3.44Å
199	P	90.7	Very high	87.8	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	-75.2	-6.5	171.1	31.9	-33.6	0	0	0	113.2	C30 L33 Y36 P208 R248	C30-P199 HydrophobicContact CB-CG 3.41Å; C30-P199 VanDerWaalsContact CB-CG 3.41Å; L33-P199 HydrophobicContact CB-CB 4.4Å; L33-P199 HydrophobicContact CB-CG 4.34Å; L33-P199 HydrophobicContact CD1-CB 4.22Å; L33-P199 HydrophobicContact CD1-CG 4.11Å; Y36-P199 HydrophobicContact CD1-CB 3.65Å; Y36-P199 HydrophobicContact CD2-CB 4.21Å; Y36-P199 HydrophobicContact CE1-CB 4.26Å; Y36-P199 HydrophobicContact CG-CB 3.63Å; P199-P208 WeakPolarHBondContact O-CG 3.39Å; P199-R248 WeakPolarHBondContact O-CD 3.43Å; P199-R248 VanDerWaalsContact O-CZ 3.27Å; P199-R248 PolarHBondContact O-NE 3.49Å; P199-R248 PolarHBondContact O-NH1 2.95Å; P199-R248 VanDerWaalsContact O-NH1 3.12Å
200	F	87.3	Confident	86.6	Confident	2 Å²	2	35.3 Å²	35.3	1%	0.009	18%	0.182	C	C	.	.	S	Bend	trans	-96	134.7	177.7	-54.7	-82.3	0	0	0	109.8	C30 L33 S198 C207 L237 M239 N245 R248 L249 M252	C30-F200 HydrophobicContact CB-CE2 4.17Å; L33-F200 HydrophobicContact CD1-CE1 4.16Å; L33-F200 HydrophobicContact CD1-CZ 3.99Å; S198-F200 PolarHBondContact O-N 2.71Å; S198-F200 PolarHBondContact OG-N 3.22Å; S198-F200 PolarHBondContact OG-O 2.7Å; F200-C207 WeakPolarHBondContact O-CB 3.42Å; F200-L237 HydrophobicContact CD2-CD2 3.66Å; F200-L237 HydrophobicContact CE2-CD2 4.06Å; F200-L237 HydrophobicContact CG-CD2 4.49Å; F200-M239 HydrophobicContact CB-CB 3.86Å; F200-M239 HydrophobicContact CD1-SD 4.38Å; F200-N245 WeakPolarHBondContact CA-OD1 3.37Å; F200-R248 HydrophobicContact CD1-CB 3.97Å; F200-R248 HydrophobicContact CE1-CB 3.8Å; F200-L249 HydrophobicContact CD1-CD2 4.47Å; F200-L249 HydrophobicContact CE1-CD2 3.66Å; F200-L249 HydrophobicContact CE1-CG 3.86Å; F200-L249 HydrophobicContact CZ-CD2 3.92Å; F200-M252 HydrophobicContact CZ-SD 4.35Å
201	A	85.7	Confident	84.9	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-65.1	136.7	172.9	0	0	0	0	0	109.4	P208 E210 M239 S240 N245	A201-P208 WeakPolarHBondContact CA-O 3.48Å; A201-P208 VanDerWaalsContact CB-O 3.3Å; A201-P208 WeakPolarHBondContact CB-O 3.49Å; A201-E210 HydrophobicContact CB-CG 3.87Å; A201-M239 CarbonylContact O-C 3.59Å; A201-M239 VanDerWaalsContact O-CA 3.25Å; A201-M239 WeakPolarHBondContact O-CA 3.12Å; A201-S240 PolarHBondContact O-N 2.93Å; A201-N245 PolarHBondContact N-ND2 3.02Å; A201-N245 PolarHBondContact N-OD1 3.39Å; A201-N245 PolarHBondContact O-ND2 3.03Å
202	G	83.7	Confident	82.7	Confident	20 Å²	20	42.7 Å²	42.7	21%	0.206	22%	0.216	C	C	.	.	S	Bend	trans	162.6	-146.5	-175.2	0	0	0	0	0	110.8	S204 C207	G202-S204 VanDerWaalsContact C-N 3.31Å; G202-S204 PolarHBondContact O-N 3.3Å; G202-C207 PolarHBondContact O-SG 2.93Å
203	D	84	Confident	80.5	Confident	125 Å²	125	38 Å²	38	67%	0.668	19%	0.189	S	C	*	.	S	Bend	trans	-88.9	16.9	-172.1	-55.6	-40.4	0	0	0	114.7	S238	D203-S238 WeakPolarHBondContact OD2-CB 3.37Å; D203-S238 PolarHBondContact OD2-OG 2.82Å
204	S	88.9	Confident	78.4	Confident	13 Å²	13	36.8 Å²	36.8	9%	0.091	19%	0.194	C	C	.	.			trans	-82.2	148.5	179.1	-63.4	0	0	0	0	111.2	S198 G202 C207	S198-S204 VanDerWaalsContact CB-OG 3.29Å; S198-S204 WeakPolarHBondContact CB-OG 3.22Å; G202-S204 VanDerWaalsContact C-N 3.31Å; G202-S204 PolarHBondContact O-N 3.3Å; S204-C207 PolarHBondContact O-SG 3.24Å
205	D	91	Very high	76.1	Confident	53 Å²	53	42.6 Å²	42.6	28%	0.283	23%	0.232	S	C	.	.	S	Bend	trans	-62.4	-45.8	-179	-68.5	-67.3	0	0	0	112.5	I195 K196 F275	I195-D205 WeakPolarHBondContact CA-OD2 3.15Å; I195-D205 HydrophobicContact CG2-CB 3.91Å; K196-D205 PolarHBondContact N-OD2 3.2Å; K196-D205 WeakPolarHBondContact O-CB 3.49Å; K196-D205 PolarHBondContact O-N 3.42Å; D205-F275 HydrophobicContact CB-CD2 4.08Å; D205-F275 HydrophobicContact CB-CE2 3.53Å; D205-F275 HydrophobicContact CB-CZ 3.94Å; D205-F275 VanDerWaalsContact O-CD2 3.23Å; D205-F275 WeakPolarHBondContact O-CD2 3.36Å
206	I	93	Very high	73.5	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-112.7	99.5	173.5	-57.1	177.2	0	0	0	107.3	V40 I44 I195 K196 V197 S198 D271 A272 F275	V40-I206 HydrophobicContact CG1-CD1 4.3Å; V40-I206 HydrophobicContact CG1-CG2 4.32Å; V40-I206 HydrophobicContact CG2-CG2 3.97Å; I44-I206 HydrophobicContact CD1-CD1 4.44Å; I195-I206 HydrophobicContact CG2-CD1 4.07Å; I195-I206 HydrophobicContact CG2-CG1 4.24Å; K196-I206 PolarHBondContact O-N 2.85Å; V197-I206 WeakPolarHBondContact CA-O 3.43Å; V197-I206 HydrophobicContact CB-CB 4.48Å; V197-I206 HydrophobicContact CG1-CB 4.25Å; V197-I206 HydrophobicContact CG1-CG2 4.21Å; V197-I206 HydrophobicContact CG2-CB 4.17Å; V197-I206 HydrophobicContact CG2-CD1 4.13Å; S198-I206 PolarHBondContact N-O 3.32Å; I206-D271 HydrophobicContact CG2-CB 4.12Å; I206-A272 HydrophobicContact CD1-CB 4.27Å; I206-A272 HydrophobicContact CG2-CB 4.11Å; I206-F275 HydrophobicContact CD1-CB 4.39Å; I206-F275 HydrophobicContact CD1-CD1 3.92Å; I206-F275 HydrophobicContact CD1-CG 4.27Å; I206-F275 HydrophobicContact CG1-CB 3.76Å; I206-F275 HydrophobicContact CG1-CD1 3.8Å; I206-F275 HydrophobicContact CG1-CD2 4.26Å; I206-F275 HydrophobicContact CG1-CE1 4.48Å; I206-F275 HydrophobicContact CG1-CG 3.67Å
207	C	91.5	Very high	71.1	Confident	6 Å²	6	51.7 Å²	51.7	4%	0.041	27%	0.271	C	S	.	.			trans	-149.5	167.6	170.7	66.8	0	0	0	0	110.7	Y36 S198 F200 G202 S204 R274	Y36-C207 WeakPolarHBondContact OH-CA 3.33Å; S198-C207 VanDerWaalsContact O-CA 3.29Å; S198-C207 WeakPolarHBondContact O-CA 3.36Å; S198-C207 VanDerWaalsContact O-CB 3.29Å; S198-C207 WeakPolarHBondContact O-CB 3.49Å; F200-C207 WeakPolarHBondContact O-CB 3.42Å; G202-C207 PolarHBondContact O-SG 2.93Å; S204-C207 PolarHBondContact O-SG 3.24Å; C207-R274 PolarHBondContact O-NH2 3.36Å
208	P	87.8	Confident	68.4	Low	1 Å²	1	60.8 Å²	60.8	1%	0.006	31%	0.313	C	S	.	.			trans	-62.3	146.5	171.1	-26.3	40.4	0	0	0	111.4	Y36 S198 P199 A201 R248 Q267 D271	Y36-P208 HydrophobicContact CE2-CG 3.75Å; Y36-P208 WeakPolarHBondContact OH-CD 3.31Å; S198-P208 WeakPolarHBondContact O-CD 3.16Å; P199-P208 WeakPolarHBondContact O-CG 3.39Å; A201-P208 WeakPolarHBondContact CA-O 3.48Å; A201-P208 VanDerWaalsContact CB-O 3.3Å; A201-P208 WeakPolarHBondContact CB-O 3.49Å; P208-R248 VanDerWaalsContact CB-NH1 3.31Å; P208-R248 VanDerWaalsContact CG-CZ 3.42Å; P208-R248 VanDerWaalsContact CG-NH1 3.34Å; P208-Q267 HydrophobicContact CG-CG 4.34Å; P208-D271 VanDerWaalsContact CA-OD2 3.26Å; P208-D271 WeakPolarHBondContact CA-OD2 3.4Å; P208-D271 WeakPolarHBondContact CG-OD2 3.4Å; P208-D271 VanDerWaalsContact N-OD2 3.17Å
209	L	75.2	Confident	66.1	Low	32 Å²	32	67.4 Å²	67.4	17%	0.168	34%	0.338	C	S	.	.			trans	-99.6	144.6	-174.8	-67	151.9	0	0	0	111.9	W213 Q223	L209-W213 VanDerWaalsContact CD1-CD1 3.47Å; L209-W213 HydrophobicContact CD1-CD2 4.19Å; L209-W213 VanDerWaalsContact CD1-CE2 3.49Å; L209-W213 HydrophobicContact CD1-CG 4.21Å; L209-W213 HydrophobicContact CD1-CZ2 4.04Å; L209-W213 HydrophobicContact CD2-CZ2 4.32Å; L209-Q223 VanDerWaalsContact C-OE1 3.3Å; L209-Q223 PolarHBondContact O-OE1 2.7Å
210	E	59.3	Low	63.8	Low	42 Å²	42	72.5 Å²	72.5	20%	0.196	38%	0.38	C	S	.	.	S	Bend	trans	-83.6	-5.7	-177.3	-53.5	-161.8	109.6	0	0	114.6	A201 Y225 V228 S240 N242	A201-E210 HydrophobicContact CB-CG 3.87Å; E210-Y225 WeakPolarHBondContact O-CA 3.39Å; E210-V228 VanDerWaalsContact OE1-CG2 3.29Å; E210-V228 WeakPolarHBondContact OE1-CG2 3.31Å; E210-S240 VanDerWaalsContact CD-CB 3.46Å; E210-S240 WeakPolarHBondContact OE1-CB 3.39Å; E210-S240 PolarHBondContact OE1-OG 3.37Å; E210-S240 PolarHBondContact OE2-OG 2.95Å; E210-N242 PolarHBondContact OE1-ND2 3.36Å
211	S	45.7	Very low	61.9	Low	53 Å²	53	76 Å²	76	37%	0.371	40%	0.396	S	S	.	.	S	Bend	trans	-147.2	161	-171.7	62.1	0	0	0	0	114.7	W213	S211-W213 PolarHBondContact O-N 3.38Å
212	K	37.3	Very low	60	Low	205 Å²	205	80.6 Å²	80.6	89%	0.891	43%	0.426	S	S	*	.			trans	-58.5	123.9	-176.8	-73.9	-176.7	179	177.9	0	111.8
213	W	37.8	Very low	58.4	Low	108 Å²	108	80.4 Å²	80.4	41%	0.409	42%	0.42	S	S	.	.			trans	-84.9	148.2	163.2	-82	56.9	0	0	0	109.5	L209 S211 Y217 R274	L209-W213 VanDerWaalsContact CD1-CD1 3.47Å; L209-W213 HydrophobicContact CD1-CD2 4.19Å; L209-W213 VanDerWaalsContact CD1-CE2 3.49Å; L209-W213 HydrophobicContact CD1-CG 4.21Å; L209-W213 HydrophobicContact CD1-CZ2 4.04Å; L209-W213 HydrophobicContact CD2-CZ2 4.32Å; S211-W213 PolarHBondContact O-N 3.38Å; W213-Y217 HydrophobicContact CB-CD2 4.36Å; W213-R274 HydrophobicContact CE3-CG 4.25Å; W213-R274 HydrophobicContact CH2-CG 3.66Å; W213-R274 HydrophobicContact CZ2-CG 4.12Å; W213-R274 HydrophobicContact CZ3-CG 3.73Å
214	G	39.3	Very low	56.7	Low	37 Å²	37	82 Å²	82	38%	0.381	42%	0.421	S	S	.	.			trans	-52.8	174.7	-166.6	0	0	0	0	0	117.2	Q216 Y217	G214-Q216 PolarHBondContact O-N 2.79Å; G214-Y217 PolarHBondContact O-N 3.46Å
215	P	41.4	Very low	54.7	Low	130 Å²	130	89.6 Å²	89.6	84%	0.844	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-6.5	-168.2	21.4	-32	0	0	0	116
216	Q	40.4	Very low	52.7	Low	139 Å²	139	94.6 Å²	94.6	65%	0.65	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	1.6	178.3	64.1	-101.6	51.2	0	0	116.3	G214	G214-Q216 PolarHBondContact O-N 2.79Å
217	Y	42.4	Very low	51	Low	119 Å²	119	97.9 Å²	97.9	47%	0.467	49%	0.488	S	S	.	.			trans	-118.3	104.9	177.3	-71.2	-84.9	0	0	0	111.9	W213 G214 R219	W213-Y217 HydrophobicContact CB-CD2 4.36Å; G214-Y217 PolarHBondContact O-N 3.46Å; Y217-R219 PolarHBondContact O-N 3.2Å
218	H	41.3	Very low	49.4	Very low	190 Å²	190	100.2 Å²	100.2	88%	0.88	50%	0.502	S	S	*	.			trans	-73.4	12.3	-178	-67.8	-69.7	0	0	0	115.7
219	R	44.2	Very low	47.9	Very low	139 Å²	139	105.3 Å²	105.3	53%	0.525	53%	0.529	S	S	.	.	S	Bend	trans	-107.5	114.8	175.8	-91.9	-170.5	-86.2	156.8	4.8	110.7	Y217 Q221 D270	Y217-R219 PolarHBondContact O-N 3.2Å; R219-Q221 PolarHBondContact O-N 3.31Å; R219-Q221 VanDerWaalsContact O-N 3.12Å; R219-D270 IonicContact CZ-OD1 3.67Å; R219-D270 IonicContact CZ-OD2 2.94Å; R219-D270 IonicContact NH1-OD1 3.74Å; R219-D270 IonicContact NH1-OD2 3.85Å; R219-D270 PolarHBondContact NH1-OD2 2.87Å; R219-D270 VanDerWaalsContact NH2-CG 3.33Å; R219-D270 IonicContact NH2-OD1 3.65Å; R219-D270 PolarHBondContact NH2-OD1 3.19Å; R219-D270 IonicContact NH2-OD2 2.7Å; R219-D270 PolarHBondContact NH2-OD2 3.31Å
220	A	42.2	Very low	47.3	Very low	107 Å²	107	105.6 Å²	105.6	88%	0.884	54%	0.539	S	S	*	.			trans	-59.2	112.1	170	0	0	0	0	0	109.6
221	Q	48.4	Very low	47.6	Very low	77 Å²	77	107.6 Å²	107.6	36%	0.36	56%	0.558	S	S	.	*			trans	-77.4	147.1	170.5	-73.6	-137.3	0.3	0	0	110.4	R219 Q223	R219-Q221 PolarHBondContact O-N 3.31Å; R219-Q221 VanDerWaalsContact O-N 3.12Å; Q221-Q223 PolarHBondContact O-N 3.48Å
222	P	45.9	Very low	48.5	Very low	95 Å²	95	108.1 Å²	108.1	62%	0.617	56%	0.555	S	S	*	*	S	Bend	trans	-79.8	10	-173.6	30.6	-33.5	0	0	0	115.1
223	Q	49.7	Very low	49.8	Very low	17 Å²	17	102.7 Å²	102.7	8%	0.079	54%	0.543	C	S	.	.			trans	-114.3	109.2	-170.8	-61.7	-171.8	-4	0	0	110.7	L209 Q221 T244	L209-Q223 VanDerWaalsContact C-OE1 3.3Å; L209-Q223 PolarHBondContact O-OE1 2.7Å; Q221-Q223 PolarHBondContact O-N 3.48Å; Q223-T244 HydrophobicContact CG-CG2 4.12Å
224	K	47.4	Very low	50.9	Low	158 Å²	158	101.3 Å²	101.3	69%	0.687	54%	0.544	S	S	*	.			trans	-78.2	132.5	160.6	-74.1	-174.4	176.2	-172.8	0	107.1	E226	K224-E226 PolarHBondContact O-N 2.65Å
225	Y	47.6	Very low	52.4	Low	172 Å²	172	103.2 Å²	103.2	68%	0.675	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-58.4	-17.1	178.2	179.6	-101.8	0	0	0	113.3	E210 D227	E210-Y225 WeakPolarHBondContact O-CA 3.39Å; Y225-D227 VanDerWaalsContact C-N 3.29Å; Y225-D227 PolarHBondContact O-N 2.82Å
226	E	49.5	Very low	54.1	Low	158 Å²	158	100.8 Å²	100.8	74%	0.738	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-78.4	1.7	-169.9	-65.4	168.2	-179.4	0	0	115.2	K224	K224-E226 PolarHBondContact O-N 2.65Å
227	D	56.4	Low	55.9	Low	70 Å²	70	94.2 Å²	94.2	37%	0.374	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-110.6	8.9	-175.4	-68	-23.7	0	0	0	114.6	Y225 L229 N242	Y225-D227 VanDerWaalsContact C-N 3.29Å; Y225-D227 PolarHBondContact O-N 2.82Å; D227-L229 PolarHBondContact O-N 3.27Å; D227-N242 HydrophobicContact CB-CB 4.4Å; D227-N242 WeakPolarHBondContact O-CB 3.3Å
228	V	58.7	Low	57.5	Low	56 Å²	56	89.6 Å²	89.6	34%	0.339	48%	0.479	S	S	.	.			trans	-86.8	104.6	-176.9	-173.9	0	0	0	0	110.7	E210 G230 N242	E210-V228 VanDerWaalsContact OE1-CG2 3.29Å; E210-V228 WeakPolarHBondContact OE1-CG2 3.31Å; V228-G230 VanDerWaalsContact C-N 3.34Å; V228-N242 HydrophobicContact CG2-CB 4.48Å
229	L	55.9	Low	59.3	Low	108 Å²	108	80.9 Å²	80.9	57%	0.565	44%	0.439	S	S	*	.			trans	-85.6	-5.8	179.7	-77	165.6	0	0	0	113.5	D227 F241	D227-L229 PolarHBondContact O-N 3.27Å; L229-F241 HydrophobicContact CB-CD1 3.67Å; L229-F241 HydrophobicContact CB-CE1 4.42Å; L229-F241 HydrophobicContact CD1-CD1 3.81Å; L229-F241 HydrophobicContact CD1-CE1 3.74Å; L229-F241 HydrophobicContact CG-CD1 4.4Å; L229-F241 PolarHBondContact N-O 3.3Å
230	G	61.7	Low	60.8	Low	37 Å²	37	74.8 Å²	74.8	38%	0.381	42%	0.417	S	S	.	.			trans	146.1	-171.5	-177.6	0	0	0	0	0	112	V228 S240 F241	V228-G230 VanDerWaalsContact C-N 3.34Å; G230-S240 CarbonylContact O-C 3.53Å; G230-F241 PolarHBondContact O-N 3.22Å
231	S	66.4	Low	62.2	Low	85 Å²	85	73.6 Å²	73.6	59%	0.594	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.5	132.9	175.1	60.8	0	0	0	0	111.1	M239	S231-M239 CarbonylContact C-O 3.57Å
232	I	64.6	Low	63.3	Low	63 Å²	63	70.4 Å²	70.4	32%	0.323	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	120.1	170	-63.2	172.2	0	0	0	108.2	L234 M239 F241	I232-L234 HydrophobicContact CG2-CD1 3.63Å; I232-L234 HydrophobicContact CG2-CG 3.76Å; I232-M239 HydrophobicContact CB-CG 4.21Å; I232-M239 PolarHBondContact N-O 3.48Å; I232-M239 PolarHBondContact O-N 2.95Å; I232-F241 HydrophobicContact CD1-CB 3.93Å; I232-F241 HydrophobicContact CD1-CD2 3.27Å; I232-F241 HydrophobicContact CD1-CE2 3.94Å; I232-F241 HydrophobicContact CD1-CG 3.79Å; I232-F241 HydrophobicContact CG1-CB 4.09Å; I232-F241 HydrophobicContact CG1-CD2 4.32Å; I232-F241 HydrophobicContact CG1-CG 4.42Å
233	S	65.2	Low	64.3	Low	91 Å²	91	69.8 Å²	69.8	64%	0.636	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.3	107.6	168.6	-171.1	0	0	0	0	109.6	L237	S233-L237 CarbonylContact C-O 3.55Å; S233-L237 WeakPolarHBondContact CA-O 3.25Å
234	L	59.8	Low	65.4	Low	80 Å²	80	70.3 Å²	70.3	42%	0.419	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	111	175.4	-87.6	153.8	0	0	0	109	I232 N236 L237 M239	I232-L234 HydrophobicContact CG2-CD1 3.63Å; I232-L234 HydrophobicContact CG2-CG 3.76Å; L234-N236 VanDerWaalsContact C-N 3.33Å; L234-N236 PolarHBondContact O-N 3.03Å; L234-L237 PolarHBondContact N-O 3.19Å; L234-L237 WeakPolarHBondContact O-CA 3.5Å; L234-L237 WeakPolarHBondContact O-CB 3.37Å; L234-L237 PolarHBondContact O-N 3.33Å; L234-M239 HydrophobicContact CB-CE 4.1Å; L234-M239 HydrophobicContact CD1-CE 3.7Å; L234-M239 HydrophobicContact CD1-SD 4.29Å
235	L	71.9	Confident	66.8	Low	77 Å²	77	63 Å²	63	40%	0.403	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	50.1	165.8	-57.6	165	0	0	0	112.7	G182 N186 L237	G182-L235 WeakPolarHBondContact O-CB 3.29Å; G182-L235 WeakPolarHBondContact O-CD1 3.29Å; N186-L235 PolarHBondContact N-O 3.16Å; L235-L237 VanDerWaalsContact C-N 3.31Å; L235-L237 PolarHBondContact O-N 3.41Å
236	N	76.1	Confident	67.9	Low	79 Å²	79	58 Å²	58	42%	0.422	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	11.4	-177.9	-152.4	34.2	0	0	0	116.1	N185 L187 L234	N185-N236 WeakPolarHBondContact OD1-CB 3.34Å; N185-N236 PolarHBondContact OD1-ND2 3.38Å; L187-N236 PolarHBondContact O-ND2 3.04Å; L234-N236 VanDerWaalsContact C-N 3.33Å; L234-N236 PolarHBondContact O-N 3.03Å
237	L	78.3	Confident	68.9	Low	1 Å²	1	56.8 Å²	56.8	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	114.1	168.2	173.2	65.8	0	0	0	109.4	A28 N186 L187 S198 F200 S233 L234 L235 M239	A28-L237 HydrophobicContact CB-CD1 4.5Å; N186-L237 HydrophobicContact CB-CB 4.33Å; N186-L237 WeakPolarHBondContact ND2-CD2 3.37Å; L187-L237 HydrophobicContact CD2-CD1 4.11Å; S198-L237 WeakPolarHBondContact OG-CD1 3.44Å; F200-L237 HydrophobicContact CD2-CD2 3.66Å; F200-L237 HydrophobicContact CE2-CD2 4.06Å; F200-L237 HydrophobicContact CG-CD2 4.49Å; S233-L237 CarbonylContact C-O 3.55Å; S233-L237 WeakPolarHBondContact CA-O 3.25Å; L234-L237 PolarHBondContact N-O 3.19Å; L234-L237 WeakPolarHBondContact O-CA 3.5Å; L234-L237 WeakPolarHBondContact O-CB 3.37Å; L234-L237 PolarHBondContact O-N 3.33Å; L235-L237 VanDerWaalsContact C-N 3.31Å; L235-L237 PolarHBondContact O-N 3.41Å; L237-M239 HydrophobicContact CD2-CE 3.75Å; L237-M239 HydrophobicContact CG-CE 4.15Å
238	S	76.6	Confident	69.9	Low	21 Å²	21	54 Å²	54	15%	0.147	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	123.2	169.9	-175	0	0	0	0	109.2	D203	D203-S238 WeakPolarHBondContact OD2-CB 3.37Å; D203-S238 PolarHBondContact OD2-OG 2.82Å
239	M	78.5	Confident	70.6	Confident	7 Å²	7	54.1 Å²	54.1	3%	0.034	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	139.9	174.7	69.3	-173.5	80.4	0	0	109.9	F200 A201 S231 I232 L234 L237 L249	F200-M239 HydrophobicContact CB-CB 3.86Å; F200-M239 HydrophobicContact CD1-SD 4.38Å; A201-M239 CarbonylContact O-C 3.59Å; A201-M239 VanDerWaalsContact O-CA 3.25Å; A201-M239 WeakPolarHBondContact O-CA 3.12Å; S231-M239 CarbonylContact C-O 3.57Å; I232-M239 HydrophobicContact CB-CG 4.21Å; I232-M239 PolarHBondContact N-O 3.48Å; I232-M239 PolarHBondContact O-N 2.95Å; L234-M239 HydrophobicContact CB-CE 4.1Å; L234-M239 HydrophobicContact CD1-CE 3.7Å; L234-M239 HydrophobicContact CD1-SD 4.29Å; L237-M239 HydrophobicContact CD2-CE 3.75Å; L237-M239 HydrophobicContact CG-CE 4.15Å; M239-L249 HydrophobicContact CE-CD2 4.48Å; M239-L249 HydrophobicContact SD-CD1 4.1Å; M239-L249 HydrophobicContact SD-CD2 4.19Å; M239-L249 HydrophobicContact SD-CG 4.39Å
240	S	76.8	Confident	71.3	Confident	11 Å²	11	53 Å²	53	8%	0.077	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	137.1	173.7	-58	0	0	0	0	110.8	A201 E210 G230 N242 N245	A201-S240 PolarHBondContact O-N 2.93Å; E210-S240 VanDerWaalsContact CD-CB 3.46Å; E210-S240 WeakPolarHBondContact OE1-CB 3.39Å; E210-S240 PolarHBondContact OE1-OG 3.37Å; E210-S240 PolarHBondContact OE2-OG 2.95Å; G230-S240 CarbonylContact O-C 3.53Å; S240-N242 PolarHBondContact O-N 3.27Å; S240-N242 VanDerWaalsContact O-N 3.15Å; S240-N245 PolarHBondContact N-ND2 3.12Å; S240-N245 WeakPolarHBondContact O-CB 3.49Å; S240-N245 PolarHBondContact O-ND2 2.93Å
241	F	70.7	Confident	71.8	Confident	83 Å²	83	51.4 Å²	51.4	36%	0.364	28%	0.282	S	S	.	.			trans	-81.6	94.3	174.8	-169	-124.1	0	0	0	109.2	L229 G230 I232 I246	L229-F241 HydrophobicContact CB-CD1 3.67Å; L229-F241 HydrophobicContact CB-CE1 4.42Å; L229-F241 HydrophobicContact CD1-CD1 3.81Å; L229-F241 HydrophobicContact CD1-CE1 3.74Å; L229-F241 HydrophobicContact CG-CD1 4.4Å; L229-F241 PolarHBondContact N-O 3.3Å; G230-F241 PolarHBondContact O-N 3.22Å; I232-F241 HydrophobicContact CD1-CB 3.93Å; I232-F241 HydrophobicContact CD1-CD2 3.27Å; I232-F241 HydrophobicContact CD1-CE2 3.94Å; I232-F241 HydrophobicContact CD1-CG 3.79Å; I232-F241 HydrophobicContact CG1-CB 4.09Å; I232-F241 HydrophobicContact CG1-CD2 4.32Å; I232-F241 HydrophobicContact CG1-CG 4.42Å; F241-I246 HydrophobicContact CD2-CD1 4.36Å; F241-I246 HydrophobicContact CD2-CG1 4.49Å; F241-I246 HydrophobicContact CE2-CD1 3.72Å; F241-I246 HydrophobicContact CE2-CG1 4.1Å; F241-I246 HydrophobicContact CZ-CD1 4.04Å
242	N	71.7	Confident	72.5	Confident	9 Å²	9	49.9 Å²	49.9	5%	0.048	27%	0.266	C	S	.	.	S	Bend	trans	-141.6	162.4	175.9	68	49	0	0	0	109.8	E210 D227 V228 S240 T244 N245 I246	E210-N242 PolarHBondContact OE1-ND2 3.36Å; D227-N242 HydrophobicContact CB-CB 4.4Å; D227-N242 WeakPolarHBondContact O-CB 3.3Å; V228-N242 HydrophobicContact CG2-CB 4.48Å; S240-N242 PolarHBondContact O-N 3.27Å; S240-N242 VanDerWaalsContact O-N 3.15Å; N242-T244 PolarHBondContact O-N 3.46Å; N242-T244 VanDerWaalsContact O-N 3.14Å; N242-T244 WeakPolarHBondContact OD1-CA 3.41Å; N242-T244 WeakPolarHBondContact OD1-CB 3.14Å; N242-T244 PolarHBondContact OD1-N 3.12Å; N242-N245 PolarHBondContact O-N 2.81Å; N242-N245 PolarHBondContact OD1-N 3.42Å; N242-I246 WeakPolarHBondContact O-CG1 3.26Å; N242-I246 PolarHBondContact O-N 2.84Å; N242-I246 VanDerWaalsContact O-N 3.08Å
243	L	67.8	Low	72.8	Confident	83 Å²	83	49.4 Å²	49.4	44%	0.435	27%	0.266	S	S	.	.	H	α-helix	trans	-59.1	-29.7	-177.5	-173.9	64.1	0	0	0	112.7	I246 K247	L243-I246 PolarHBondContact O-N 3.18Å; L243-K247 WeakPolarHBondContact O-CG 3.3Å; L243-K247 PolarHBondContact O-N 3.29Å
244	T	72.6	Confident	73	Confident	28 Å²	28	48.2 Å²	48.2	17%	0.172	25%	0.248	C	C	.	.	H	α-helix	trans	-72.6	-42.4	-179.2	-54.3	0	0	0	0	112	Q223 N242 I246 K247 R248	Q223-T244 HydrophobicContact CG-CG2 4.12Å; N242-T244 PolarHBondContact O-N 3.46Å; N242-T244 VanDerWaalsContact O-N 3.14Å; N242-T244 WeakPolarHBondContact OD1-CA 3.41Å; N242-T244 WeakPolarHBondContact OD1-CB 3.14Å; N242-T244 PolarHBondContact OD1-N 3.12Å; T244-I246 VanDerWaalsContact C-N 3.33Å; T244-K247 WeakPolarHBondContact O-CB 3.25Å; T244-K247 PolarHBondContact O-N 3.35Å; T244-R248 WeakPolarHBondContact O-CG 2.75Å; T244-R248 PolarHBondContact O-N 3.14Å
245	N	76.6	Confident	73.8	Confident	3 Å²	3	44.7 Å²	44.7	2%	0.016	23%	0.229	C	C	.	.	H	α-helix	trans	-67.9	-33.5	174	-83.1	-16.9	0	0	0	111.6	F200 A201 S240 N242 R248 L249	F200-N245 WeakPolarHBondContact CA-OD1 3.37Å; A201-N245 PolarHBondContact N-ND2 3.02Å; A201-N245 PolarHBondContact N-OD1 3.39Å; A201-N245 PolarHBondContact O-ND2 3.03Å; S240-N245 PolarHBondContact N-ND2 3.12Å; S240-N245 WeakPolarHBondContact O-CB 3.49Å; S240-N245 PolarHBondContact O-ND2 2.93Å; N242-N245 PolarHBondContact O-N 2.81Å; N242-N245 PolarHBondContact OD1-N 3.42Å; N245-R248 CarbonylContact O-C 3.57Å; N245-R248 WeakPolarHBondContact O-CB 3.41Å; N245-R248 PolarHBondContact O-N 2.91Å; N245-R248 PolarHBondContact OD1-NH1 2.97Å; N245-L249 WeakPolarHBondContact O-CG 3.42Å; N245-L249 PolarHBondContact O-N 3.35Å
246	I	69.8	Low	74	Confident	68 Å²	68	42.9 Å²	42.9	35%	0.349	22%	0.219	S	C	.	.	H	α-helix	trans	-61.3	-47.9	170.1	-65.8	169.3	0	0	0	110.7	F241 N242 L243 T244 R248 L249 V250	F241-I246 HydrophobicContact CD2-CD1 4.36Å; F241-I246 HydrophobicContact CD2-CG1 4.49Å; F241-I246 HydrophobicContact CE2-CD1 3.72Å; F241-I246 HydrophobicContact CE2-CG1 4.1Å; F241-I246 HydrophobicContact CZ-CD1 4.04Å; N242-I246 WeakPolarHBondContact O-CG1 3.26Å; N242-I246 PolarHBondContact O-N 2.84Å; N242-I246 VanDerWaalsContact O-N 3.08Å; L243-I246 PolarHBondContact O-N 3.18Å; T244-I246 VanDerWaalsContact C-N 3.33Å; I246-R248 PolarHBondContact O-N 3.27Å; I246-L249 WeakPolarHBondContact O-CB 3.43Å; I246-L249 PolarHBondContact O-N 2.92Å; I246-L249 VanDerWaalsContact O-N 3.1Å; I246-V250 PolarHBondContact O-N 2.89Å
247	K	69.9	Low	74	Confident	133 Å²	133	40.9 Å²	40.9	58%	0.578	21%	0.214	S	C	*	.	H	α-helix	trans	-57.1	-38.1	174.4	-75.9	174.5	179.9	175.3	0	112	L243 T244 V250 G251	L243-K247 WeakPolarHBondContact O-CG 3.3Å; L243-K247 PolarHBondContact O-N 3.29Å; T244-K247 WeakPolarHBondContact O-CB 3.25Å; T244-K247 PolarHBondContact O-N 3.35Å; K247-V250 PolarHBondContact O-N 2.83Å; K247-G251 PolarHBondContact O-N 3.19Å
248	R	77.4	Confident	74.1	Confident	12 Å²	12	41.5 Å²	41.5	5%	0.045	22%	0.218	C	C	.	.	H	α-helix	trans	-68.2	-40.9	174.5	-72.5	175.1	177	156.2	-0.7	112.5	L33 P199 F200 P208 T244 N245 I246 V250 G251 M252 Q267	L33-R248 HydrophobicContact CD1-CB 3.88Å; L33-R248 HydrophobicContact CD1-CG 4.44Å; L33-R248 WeakPolarHBondContact CD1-O 3.5Å; P199-R248 WeakPolarHBondContact O-CD 3.43Å; P199-R248 VanDerWaalsContact O-CZ 3.27Å; P199-R248 PolarHBondContact O-NE 3.49Å; P199-R248 PolarHBondContact O-NH1 2.95Å; P199-R248 VanDerWaalsContact O-NH1 3.12Å; F200-R248 HydrophobicContact CD1-CB 3.97Å; F200-R248 HydrophobicContact CE1-CB 3.8Å; P208-R248 VanDerWaalsContact CB-NH1 3.31Å; P208-R248 VanDerWaalsContact CG-CZ 3.42Å; P208-R248 VanDerWaalsContact CG-NH1 3.34Å; T244-R248 WeakPolarHBondContact O-CG 2.75Å; T244-R248 PolarHBondContact O-N 3.14Å; N245-R248 CarbonylContact O-C 3.57Å; N245-R248 WeakPolarHBondContact O-CB 3.41Å; N245-R248 PolarHBondContact O-N 2.91Å; N245-R248 PolarHBondContact OD1-NH1 2.97Å; I246-R248 PolarHBondContact O-N 3.27Å; R248-V250 PolarHBondContact O-N 3.31Å; R248-G251 CarbonylContact O-C 3.6Å; R248-G251 WeakPolarHBondContact O-CA 3.12Å; R248-G251 PolarHBondContact O-N 3.22Å; R248-M252 PolarHBondContact O-N 3.12Å; R248-Q267 VanDerWaalsContact NH2-CD 3.33Å
249	L	74.3	Confident	74.2	Confident	57 Å²	57	44.9 Å²	44.9	30%	0.298	23%	0.234	S	C	.	.	H	α-helix	trans	-59.8	-37.3	174.7	-74	169.6	0	0	0	111.6	F200 M239 N245 I246 M252	F200-L249 HydrophobicContact CD1-CD2 4.47Å; F200-L249 HydrophobicContact CE1-CD2 3.66Å; F200-L249 HydrophobicContact CE1-CG 3.86Å; F200-L249 HydrophobicContact CZ-CD2 3.92Å; M239-L249 HydrophobicContact CE-CD2 4.48Å; M239-L249 HydrophobicContact SD-CD1 4.1Å; M239-L249 HydrophobicContact SD-CD2 4.19Å; M239-L249 HydrophobicContact SD-CG 4.39Å; N245-L249 WeakPolarHBondContact O-CG 3.42Å; N245-L249 PolarHBondContact O-N 3.35Å; I246-L249 WeakPolarHBondContact O-CB 3.43Å; I246-L249 PolarHBondContact O-N 2.92Å; I246-L249 VanDerWaalsContact O-N 3.1Å; L249-M252 HydrophobicContact CD2-CE 4.3Å; L249-M252 WeakPolarHBondContact O-CB 3.48Å; L249-M252 PolarHBondContact O-N 3.34Å
250	V	69.7	Low	74.4	Confident	85 Å²	85	49.1 Å²	49.1	52%	0.515	25%	0.254	S	S	.	.	H	α-helix	trans	-65.9	-46.1	170.5	177.4	0	0	0	0	110.8	I246 K247 R248 M252 V253 W254	I246-V250 PolarHBondContact O-N 2.89Å; K247-V250 PolarHBondContact O-N 2.83Å; R248-V250 PolarHBondContact O-N 3.31Å; V250-M252 PolarHBondContact O-N 2.9Å; V250-V253 VanDerWaalsContact O-CG2 3.28Å; V250-V253 WeakPolarHBondContact O-CG2 2.97Å; V250-V253 PolarHBondContact O-N 2.93Å; V250-V253 VanDerWaalsContact O-N 3.16Å; V250-W254 PolarHBondContact O-N 3.45Å
251	G	72.9	Confident	74.8	Confident	4 Å²	4	48.6 Å²	48.6	4%	0.041	25%	0.25	C	S	.	.	H	α-helix	trans	-63.7	-16.6	176.7	0	0	0	0	0	115.1	F32 K247 R248 W254	F32-G251 WeakPolarHBondContact CB-O 3.39Å; K247-G251 PolarHBondContact O-N 3.19Å; R248-G251 CarbonylContact O-C 3.6Å; R248-G251 WeakPolarHBondContact O-CA 3.12Å; R248-G251 PolarHBondContact O-N 3.22Å; G251-W254 CarbonylContact C-O 3.59Å; G251-W254 WeakPolarHBondContact CA-O 3.28Å; G251-W254 VanDerWaalsContact O-O 3.11Å
252	M	81.2	Confident	75.6	Confident	53 Å²	53	44.9 Å²	44.9	26%	0.261	23%	0.234	S	C	.	.	H	α-helix	trans	-70.4	-40.7	173.1	166.1	178.8	82.5	0	0	111.4	C30 F32 L33 F200 R248 L249 V250	C30-M252 WeakPolarHBondContact O-CB 3.42Å; C30-M252 WeakPolarHBondContact O-CG 3.39Å; F32-M252 PolarHBondContact N-O 2.99Å; L33-M252 HydrophobicContact CD1-CB 4.37Å; L33-M252 HydrophobicContact CG-CB 4.35Å; F200-M252 HydrophobicContact CZ-SD 4.35Å; R248-M252 PolarHBondContact O-N 3.12Å; L249-M252 HydrophobicContact CD2-CE 4.3Å; L249-M252 WeakPolarHBondContact O-CB 3.48Å; L249-M252 PolarHBondContact O-N 3.34Å; V250-M252 PolarHBondContact O-N 2.9Å
253	V	70.5	Confident	76.4	Confident	52 Å²	52	49.4 Å²	49.4	32%	0.315	26%	0.259	S	S	.	.	H	α-helix	trans	-96.1	-22.5	-177.6	-63.3	0	0	0	0	112.9	P97 F165 V250	P97-V253 WeakPolarHBondContact CG-O 3.39Å; F165-V253 WeakPolarHBondContact CE2-O 3.14Å; V250-V253 VanDerWaalsContact O-CG2 3.28Å; V250-V253 WeakPolarHBondContact O-CG2 2.97Å; V250-V253 PolarHBondContact O-N 2.93Å; V250-V253 VanDerWaalsContact O-N 3.16Å
254	W	70.5	Confident	77.5	Confident	67 Å²	67	45.9 Å²	45.9	25%	0.254	24%	0.24	S	C	.	.	S	Bend	trans	-123.6	129.2	-179.9	-163.9	-90.6	0	0	0	111.5	P97 F98 V250 G251 M256 Y401 I405	P97-W254 HydrophobicContact CG-CE3 4.2Å; P97-W254 HydrophobicContact CG-CZ3 4.41Å; F98-W254 HydrophobicContact CD2-CE3 4.44Å; F98-W254 HydrophobicContact CD2-CZ3 4.16Å; F98-W254 HydrophobicContact CE2-CE3 4.22Å; F98-W254 HydrophobicContact CE2-CZ3 4.37Å; V250-W254 PolarHBondContact O-N 3.45Å; G251-W254 CarbonylContact C-O 3.59Å; G251-W254 WeakPolarHBondContact CA-O 3.28Å; G251-W254 VanDerWaalsContact O-O 3.11Å; W254-M256 PolarHBondContact O-N 3.36Å; W254-Y401 WeakPolarHBondContact CZ2-OH 3.35Å; W254-Y401 PolarHBondContact NE1-OH 3Å; W254-I405 HydrophobicContact CZ2-CD1 4.34Å; W254-I405 HydrophobicContact CZ2-CG1 3.99Å
255	P	76.4	Confident	78.4	Confident	5 Å²	5	44.7 Å²	44.7	3%	0.032	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-64.4	120.3	-177.5	24.6	-32.5	0	0	0	111.8	F32 V87 T90 R91	F32-P255 HydrophobicContact CD1-CB 4.43Å; F32-P255 HydrophobicContact CG-CB 4.37Å; V87-P255 HydrophobicContact CG1-CB 3.85Å; T90-P255 HydrophobicContact CG2-CG 4.14Å; R91-P255 HydrophobicContact CG-CB 4.43Å; R91-P255 HydrophobicContact CG-CG 3.88Å
256	M	76.5	Confident	79.2	Confident	40 Å²	40	45.7 Å²	45.7	20%	0.197	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-65.3	164.2	175.7	-58.3	-178.3	79.8	0	0	112.2	L33 R91 W254 Q260 L261	L33-M256 HydrophobicContact CD2-SD 3.79Å; R91-M256 PolarHBondContact NH2-O 3.14Å; W254-M256 PolarHBondContact O-N 3.36Å; M256-Q260 HydrophobicContact CB-CB 4.02Å; M256-Q260 HydrophobicContact CE-CB 3.79Å; M256-Q260 HydrophobicContact CE-CG 4.32Å; M256-L261 HydrophobicContact CB-CD2 3.92Å; M256-L261 HydrophobicContact CB-CG 4.32Å
257	A	75.2	Confident	80.2	Confident	37 Å²	37	43.8 Å²	43.8	31%	0.306	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-65.6	155.7	177.7	0	0	0	0	0	113	D259 Q260 L261 I397	A257-D259 PolarHBondContact O-N 2.95Å; A257-Q260 HydrophobicContact CB-CG 4.29Å; A257-Q260 VanDerWaalsContact N-OE1 3.12Å; A257-Q260 WeakPolarHBondContact O-CA 3.33Å; A257-Q260 WeakPolarHBondContact O-CB 3.39Å; A257-Q260 PolarHBondContact O-N 3.26Å; A257-L261 WeakPolarHBondContact O-CG 3.47Å; A257-L261 PolarHBondContact O-N 3.03Å; A257-I397 HydrophobicContact CB-CD1 4.37Å
258	P	79.9	Confident	81.4	Confident	13 Å²	13	37.4 Å²	37.4	8%	0.084	20%	0.2	C	C	.	.	H	α-helix	trans	-46.2	-51.3	-179.6	-33.8	39.8	0	0	0	115	Q260 L261 V262 T395 I397	P258-Q260 VanDerWaalsContact C-N 3.28Å; P258-Q260 PolarHBondContact O-N 2.94Å; P258-L261 WeakPolarHBondContact O-CB 3.13Å; P258-L261 PolarHBondContact O-N 3.42Å; P258-L261 VanDerWaalsContact O-N 3.12Å; P258-V262 WeakPolarHBondContact O-CG2 3.49Å; P258-V262 PolarHBondContact O-N 2.96Å; P258-T395 WeakPolarHBondContact CA-OG1 3.36Å; P258-T395 WeakPolarHBondContact CB-OG1 3.46Å; P258-T395 WeakPolarHBondContact CG-O 3.44Å; P258-T395 WeakPolarHBondContact CG-OG1 3.49Å; P258-I397 VanDerWaalsContact CD-CD1 3.48Å; P258-I397 HydrophobicContact CG-CD1 4.26Å; P258-I397 HydrophobicContact CG-CG1 4.11Å
259	D	79.8	Confident	82.3	Confident	92 Å²	92	36.9 Å²	36.9	49%	0.492	20%	0.198	S	C	.	.	H	α-helix	trans	-67.2	-33	-178.1	-62.2	-46.7	0	0	0	111.8	A257 V262 N263 R392	A257-D259 PolarHBondContact O-N 2.95Å; D259-V262 PolarHBondContact O-N 2.68Å; D259-N263 WeakPolarHBondContact O-CB 3.47Å; D259-N263 PolarHBondContact O-N 3.06Å; D259-N263 PolarHBondContact O-ND2 2.67Å; D259-R392 IonicContact OD1-NE 3.68Å
260	Q	82.3	Confident	83.2	Confident	96 Å²	96	35.9 Å²	35.9	45%	0.449	19%	0.193	S	C	.	.	H	α-helix	trans	-68.8	-37.1	173.8	-62.6	179.7	-43.9	0	0	111.5	M256 A257 P258 N263 L264	M256-Q260 HydrophobicContact CB-CB 4.02Å; M256-Q260 HydrophobicContact CE-CB 3.79Å; M256-Q260 HydrophobicContact CE-CG 4.32Å; A257-Q260 HydrophobicContact CB-CG 4.29Å; A257-Q260 VanDerWaalsContact N-OE1 3.12Å; A257-Q260 WeakPolarHBondContact O-CA 3.33Å; A257-Q260 WeakPolarHBondContact O-CB 3.39Å; A257-Q260 PolarHBondContact O-N 3.26Å; P258-Q260 VanDerWaalsContact C-N 3.28Å; P258-Q260 PolarHBondContact O-N 2.94Å; Q260-N263 PolarHBondContact O-N 3.33Å; Q260-L264 VanDerWaalsContact O-CB 3.29Å; Q260-L264 WeakPolarHBondContact O-CB 3.26Å; Q260-L264 PolarHBondContact O-N 3.04Å
261	L	85.4	Confident	84.3	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-65.6	-39.9	175.3	-66.3	177	0	0	0	111.8	L35 V87 M256 A257 P258 L264 A265 I391 T395	L35-L261 HydrophobicContact CD1-CB 3.71Å; L35-L261 HydrophobicContact CD1-CD1 4.2Å; L35-L261 HydrophobicContact CD1-CD2 4.08Å; L35-L261 HydrophobicContact CD1-CG 4.19Å; V87-L261 HydrophobicContact CG1-CD1 4.18Å; M256-L261 HydrophobicContact CB-CD2 3.92Å; M256-L261 HydrophobicContact CB-CG 4.32Å; A257-L261 WeakPolarHBondContact O-CG 3.47Å; A257-L261 PolarHBondContact O-N 3.03Å; P258-L261 WeakPolarHBondContact O-CB 3.13Å; P258-L261 PolarHBondContact O-N 3.42Å; P258-L261 VanDerWaalsContact O-N 3.12Å; L261-L264 WeakPolarHBondContact O-CB 3.42Å; L261-L264 PolarHBondContact O-N 3.4Å; L261-A265 PolarHBondContact O-N 3.26Å; L261-I391 HydrophobicContact CB-CG2 3.77Å; L261-T395 HydrophobicContact CD1-CG2 4.25Å
262	V	88.1	Confident	85.4	Confident	4 Å²	4	31.7 Å²	31.7	2%	0.024	17%	0.167	C	C	.	.	H	α-helix	trans	-62.1	-47.8	172.7	174.5	0	0	0	0	110.5	P258 D259 L264 A265 N266 I391 R392	P258-V262 WeakPolarHBondContact O-CG2 3.49Å; P258-V262 PolarHBondContact O-N 2.96Å; D259-V262 PolarHBondContact O-N 2.68Å; V262-L264 VanDerWaalsContact C-N 3.26Å; V262-L264 PolarHBondContact O-N 2.85Å; V262-A265 PolarHBondContact O-N 3.32Å; V262-N266 WeakPolarHBondContact CG1-ND2 3.4Å; V262-N266 WeakPolarHBondContact O-CB 3.34Å; V262-N266 PolarHBondContact O-N 2.78Å; V262-N266 PolarHBondContact O-ND2 3.13Å; V262-I391 HydrophobicContact CG2-CB 3.8Å; V262-I391 HydrophobicContact CG2-CG2 3.57Å; V262-R392 HydrophobicContact CG2-CB 4.25Å
263	N	88.6	Confident	86	Confident	105 Å²	105	29.7 Å²	29.7	56%	0.561	16%	0.157	S	C	*	.	H	α-helix	trans	-61.3	-36.9	177.7	-71.6	-19.2	0	0	0	112	D259 Q260 N266 Q267	D259-N263 WeakPolarHBondContact O-CB 3.47Å; D259-N263 PolarHBondContact O-N 3.06Å; D259-N263 PolarHBondContact O-ND2 2.67Å; Q260-N263 PolarHBondContact O-N 3.33Å; N263-N266 PolarHBondContact O-N 2.82Å; N263-Q267 VanDerWaalsContact O-CB 3.3Å; N263-Q267 WeakPolarHBondContact O-CB 3.46Å; N263-Q267 PolarHBondContact O-N 2.79Å
264	L	89.7	Confident	86.9	Confident	9 Å²	9	28.8 Å²	28.8	5%	0.047	15%	0.148	C	C	.	.	H	α-helix	trans	-65.2	-44.5	176.8	-173.4	70.1	0	0	0	111.9	L33 Y36 Q260 L261 V262 Q267 G268	L33-L264 HydrophobicContact CB-CD2 4.05Å; L33-L264 HydrophobicContact CD2-CD2 3.83Å; Y36-L264 HydrophobicContact CD2-CD1 4.11Å; Q260-L264 VanDerWaalsContact O-CB 3.29Å; Q260-L264 WeakPolarHBondContact O-CB 3.26Å; Q260-L264 PolarHBondContact O-N 3.04Å; L261-L264 WeakPolarHBondContact O-CB 3.42Å; L261-L264 PolarHBondContact O-N 3.4Å; V262-L264 VanDerWaalsContact C-N 3.26Å; V262-L264 PolarHBondContact O-N 2.85Å; L264-Q267 PolarHBondContact O-N 3.12Å; L264-G268 PolarHBondContact O-N 3.37Å
265	A	92.5	Very high	87.9	Confident	2 Å²	2	26 Å²	26	2%	0.017	14%	0.138	C	C	.	.	H	α-helix	trans	-64.9	-41.9	175.4	0	0	0	0	0	112	L35 G39 L261 V262 G268 Y269 L383 I391	L35-A265 HydrophobicContact CB-CB 4.46Å; L35-A265 WeakPolarHBondContact O-CA 3.22Å; G39-A265 VanDerWaalsContact CA-O 3.31Å; G39-A265 WeakPolarHBondContact CA-O 3.49Å; L261-A265 PolarHBondContact O-N 3.26Å; V262-A265 PolarHBondContact O-N 3.32Å; A265-G268 PolarHBondContact O-N 2.79Å; A265-Y269 PolarHBondContact O-N 2.75Å; A265-Y269 VanDerWaalsContact O-N 3.08Å; A265-L383 HydrophobicContact CB-CD2 3.85Å; A265-I391 HydrophobicContact CB-CD1 3.82Å
266	N	92.6	Very high	88.6	Confident	24 Å²	24	25.8 Å²	25.8	13%	0.128	14%	0.136	C	C	.	.	H	α-helix	trans	-61	-45.3	174.3	-79	-41.6	0	0	0	111.7	V262 N263 G268 Y269 D270 L383	V262-N266 WeakPolarHBondContact CG1-ND2 3.4Å; V262-N266 WeakPolarHBondContact O-CB 3.34Å; V262-N266 PolarHBondContact O-N 2.78Å; V262-N266 PolarHBondContact O-ND2 3.13Å; N263-N266 PolarHBondContact O-N 2.82Å; N266-G268 VanDerWaalsContact C-N 3.33Å; N266-G268 PolarHBondContact O-N 2.9Å; N266-Y269 WeakPolarHBondContact O-CB 3.5Å; N266-Y269 PolarHBondContact O-N 2.91Å; N266-Y269 VanDerWaalsContact O-N 3.16Å; N266-D270 PolarHBondContact O-N 3.41Å; N266-L383 WeakPolarHBondContact OD1-CB 3.5Å; N266-L383 WeakPolarHBondContact OD1-CD2 3.42Å
267	Q	91.9	Very high	89.2	Confident	28 Å²	28	25.9 Å²	25.9	13%	0.131	14%	0.137	C	C	.	.	H	α-helix	trans	-59.5	-43.9	177.7	-174	168.6	42.5	0	0	111.3	Y36 P208 R248 N263 L264 Y269 D270 D271	Y36-Q267 HydrophobicContact CE2-CG 4.22Å; P208-Q267 HydrophobicContact CG-CG 4.34Å; R248-Q267 VanDerWaalsContact NH2-CD 3.33Å; N263-Q267 VanDerWaalsContact O-CB 3.3Å; N263-Q267 WeakPolarHBondContact O-CB 3.46Å; N263-Q267 PolarHBondContact O-N 2.79Å; L264-Q267 PolarHBondContact O-N 3.12Å; Q267-Y269 VanDerWaalsContact C-N 3.33Å; Q267-Y269 PolarHBondContact O-N 2.96Å; Q267-D270 PolarHBondContact O-N 3.18Å; Q267-D271 WeakPolarHBondContact O-CB 3.5Å; Q267-D271 PolarHBondContact O-N 2.91Å
268	G	94.5	Very high	89.6	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.9	-39.7	175.2	0	0	0	0	0	113.5	V40 L264 A265 N266 A272	V40-G268 VanDerWaalsContact CG2-O 3.22Å; V40-G268 WeakPolarHBondContact CG2-O 3.5Å; L264-G268 PolarHBondContact O-N 3.37Å; A265-G268 PolarHBondContact O-N 2.79Å; N266-G268 VanDerWaalsContact C-N 3.33Å; N266-G268 PolarHBondContact O-N 2.9Å; G268-A272 WeakPolarHBondContact O-CB 3.38Å; G268-A272 PolarHBondContact O-N 2.85Å
269	Y	95.4	Very high	90	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63.9	-47.8	175	-173.7	-82.7	0	0	0	111.9	G39 C42 C43 R46 F47 A265 N266 Q267 A272 L273 S381 S382 L383	G39-Y269 WeakPolarHBondContact O-CA 3.47Å; C42-Y269 HydrophobicContact CB-CD2 4.1Å; C42-Y269 HydrophobicContact CB-CE2 4.38Å; C43-Y269 HydrophobicContact CB-CD2 3.66Å; C43-Y269 HydrophobicContact CB-CE2 3.83Å; C43-Y269 HydrophobicContact CB-CG 4.09Å; R46-Y269 PolarHBondContact NH1-OH 2.74Å; F47-Y269 WeakPolarHBondContact CE2-OH 3.49Å; A265-Y269 PolarHBondContact O-N 2.75Å; A265-Y269 VanDerWaalsContact O-N 3.08Å; N266-Y269 WeakPolarHBondContact O-CB 3.5Å; N266-Y269 PolarHBondContact O-N 2.91Å; N266-Y269 VanDerWaalsContact O-N 3.16Å; Q267-Y269 VanDerWaalsContact C-N 3.33Å; Q267-Y269 PolarHBondContact O-N 2.96Å; Y269-A272 PolarHBondContact O-N 3.28Å; Y269-L273 HydrophobicContact CE1-CD2 4.26Å; Y269-L273 WeakPolarHBondContact O-CB 3.29Å; Y269-L273 PolarHBondContact O-N 3.44Å; Y269-S381 VanDerWaalsContact OH-CB 3.29Å; Y269-S381 WeakPolarHBondContact OH-CB 3.49Å; Y269-S381 PolarHBondContact OH-OG 3.08Å; Y269-S382 VanDerWaalsContact CE1-C 3.41Å; Y269-S382 VanDerWaalsContact CZ-O 3.31Å; Y269-S382 PolarHBondContact OH-O 3.4Å; Y269-L383 HydrophobicContact CD2-CB 4.38Å; Y269-L383 HydrophobicContact CD2-CD1 3.94Å; Y269-L383 HydrophobicContact CG-CB 4.27Å; Y269-L383 HydrophobicContact CG-CD1 4.34Å
270	D	93.3	Very high	90.2	Very high	36 Å²	36	30.6 Å²	30.6	19%	0.193	15%	0.153	C	C	.	.	H	α-helix	trans	-65.6	-42.8	-177.9	-63.3	-32	0	0	0	111.7	R219 N266 Q267 A272 L273 R274	R219-D270 IonicContact CZ-OD1 3.67Å; R219-D270 IonicContact CZ-OD2 2.94Å; R219-D270 IonicContact NH1-OD1 3.74Å; R219-D270 IonicContact NH1-OD2 3.85Å; R219-D270 PolarHBondContact NH1-OD2 2.87Å; R219-D270 VanDerWaalsContact NH2-CG 3.33Å; R219-D270 IonicContact NH2-OD1 3.65Å; R219-D270 PolarHBondContact NH2-OD1 3.19Å; R219-D270 IonicContact NH2-OD2 2.7Å; R219-D270 PolarHBondContact NH2-OD2 3.31Å; N266-D270 PolarHBondContact O-N 3.41Å; Q267-D270 PolarHBondContact O-N 3.18Å; D270-A272 VanDerWaalsContact C-N 3.35Å; D270-A272 PolarHBondContact O-N 3.24Å; D270-L273 PolarHBondContact O-N 2.95Å; D270-R274 VanDerWaalsContact O-CB 3.3Å; D270-R274 WeakPolarHBondContact O-CB 3.45Å; D270-R274 PolarHBondContact O-N 3.23Å
271	D	93.8	Very high	90.5	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.011	13%	0.133	C	C	.	.	H	α-helix	trans	-63.5	-41.2	178.1	-70.3	-28.2	0	0	0	111.7	Y36 I206 P208 Q267 F275	Y36-D271 WeakPolarHBondContact CE2-OD2 3.37Å; Y36-D271 WeakPolarHBondContact OH-CB 3.35Å; Y36-D271 PolarHBondContact OH-OD2 3.2Å; I206-D271 HydrophobicContact CG2-CB 4.12Å; P208-D271 VanDerWaalsContact CA-OD2 3.26Å; P208-D271 WeakPolarHBondContact CA-OD2 3.4Å; P208-D271 WeakPolarHBondContact CG-OD2 3.4Å; P208-D271 VanDerWaalsContact N-OD2 3.17Å; Q267-D271 WeakPolarHBondContact O-CB 3.5Å; Q267-D271 PolarHBondContact O-N 2.91Å; D271-F275 PolarHBondContact O-N 3.23Å; D271-F275 VanDerWaalsContact O-N 3.08Å
272	A	95.1	Very high	90.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-66	-45.6	175.2	0	0	0	0	0	111.2	V40 C43 I206 G268 Y269 D270 R274 F275 L276	V40-A272 HydrophobicContact CB-CB 4.27Å; V40-A272 HydrophobicContact CG1-CB 3.95Å; V40-A272 HydrophobicContact CG2-CB 4.31Å; C43-A272 HydrophobicContact CB-CB 3.78Å; I206-A272 HydrophobicContact CD1-CB 4.27Å; I206-A272 HydrophobicContact CG2-CB 4.11Å; G268-A272 WeakPolarHBondContact O-CB 3.38Å; G268-A272 PolarHBondContact O-N 2.85Å; Y269-A272 PolarHBondContact O-N 3.28Å; D270-A272 VanDerWaalsContact C-N 3.35Å; D270-A272 PolarHBondContact O-N 3.24Å; A272-R274 VanDerWaalsContact C-N 3.32Å; A272-R274 PolarHBondContact O-N 3.44Å; A272-F275 PolarHBondContact O-N 2.89Å; A272-L276 VanDerWaalsContact O-CG 3.25Å; A272-L276 WeakPolarHBondContact O-CG 3.46Å; A272-L276 PolarHBondContact O-N 3.02Å
273	L	93.9	Very high	90.5	Very high	10 Å²	10	26.3 Å²	26.3	5%	0.052	13%	0.132	C	C	.	.	H	α-helix	trans	-58.2	-47.7	179.4	179.5	61.9	0	0	0	110.9	C43 F47 Y269 D270 F275 L276 I277 I282 A378	C43-L273 WeakPolarHBondContact SG-CA 3.37Å; C43-L273 PolarHBondContact SG-N 3.42Å; F47-L273 HydrophobicContact CD2-CD1 4.11Å; F47-L273 HydrophobicContact CE2-CD1 4.05Å; Y269-L273 HydrophobicContact CE1-CD2 4.26Å; Y269-L273 WeakPolarHBondContact O-CB 3.29Å; Y269-L273 PolarHBondContact O-N 3.44Å; D270-L273 PolarHBondContact O-N 2.95Å; L273-F275 PolarHBondContact O-N 2.79Å; L273-L276 PolarHBondContact O-N 3.19Å; L273-I277 HydrophobicContact CD1-CD1 3.94Å; L273-I277 HydrophobicContact CD1-CG1 4.35Å; L273-I277 HydrophobicContact CG-CD1 3.88Å; L273-I277 VanDerWaalsContact O-CG1 3.3Å; L273-I277 WeakPolarHBondContact O-CG1 3.39Å; L273-I277 PolarHBondContact O-N 2.95Å; L273-I282 HydrophobicContact CD1-CD1 4.04Å; L273-A378 HydrophobicContact CD1-CB 3.86Å; L273-A378 WeakPolarHBondContact CD2-O 3.47Å
274	R	90.1	Very high	90.4	Very high	33 Å²	33	21.8 Å²	21.8	13%	0.125	11%	0.108	C	C	.	.	H	α-helix	trans	-55	-52.1	175	176.9	-170.1	63.9	76.3	-7.3	111.4	C207 W213 D270 A272 L276 I277 T278	C207-R274 PolarHBondContact O-NH2 3.36Å; W213-R274 HydrophobicContact CE3-CG 4.25Å; W213-R274 HydrophobicContact CH2-CG 3.66Å; W213-R274 HydrophobicContact CZ2-CG 4.12Å; W213-R274 HydrophobicContact CZ3-CG 3.73Å; D270-R274 VanDerWaalsContact O-CB 3.3Å; D270-R274 WeakPolarHBondContact O-CB 3.45Å; D270-R274 PolarHBondContact O-N 3.23Å; A272-R274 VanDerWaalsContact C-N 3.32Å; A272-R274 PolarHBondContact O-N 3.44Å; R274-L276 VanDerWaalsContact C-N 3.35Å; R274-L276 PolarHBondContact O-N 3.15Å; R274-I277 PolarHBondContact O-N 3.3Å; R274-T278 WeakPolarHBondContact O-CB 3.45Å; R274-T278 PolarHBondContact O-N 3.08Å; R274-T278 PolarHBondContact O-OG1 3.3Å
275	F	91.4	Very high	90.1	Very high	10 Å²	10	31.6 Å²	31.6	4%	0.044	15%	0.145	C	C	.	.	H	α-helix	trans	-58.5	-45.8	178.7	176.6	-94.4	0	0	0	112.2	I195 D205 I206 D271 A272 L273 I277 T278 R279 F281	I195-F275 HydrophobicContact CD1-CE1 3.98Å; I195-F275 HydrophobicContact CD1-CZ 4.35Å; I195-F275 HydrophobicContact CG1-CE1 4.17Å; I195-F275 HydrophobicContact CG1-CZ 4.09Å; I195-F275 HydrophobicContact CG2-CD1 4.46Å; I195-F275 HydrophobicContact CG2-CE1 3.72Å; I195-F275 HydrophobicContact CG2-CZ 3.85Å; D205-F275 HydrophobicContact CB-CD2 4.08Å; D205-F275 HydrophobicContact CB-CE2 3.53Å; D205-F275 HydrophobicContact CB-CZ 3.94Å; D205-F275 VanDerWaalsContact O-CD2 3.23Å; D205-F275 WeakPolarHBondContact O-CD2 3.36Å; I206-F275 HydrophobicContact CD1-CB 4.39Å; I206-F275 HydrophobicContact CD1-CD1 3.92Å; I206-F275 HydrophobicContact CD1-CG 4.27Å; I206-F275 HydrophobicContact CG1-CB 3.76Å; I206-F275 HydrophobicContact CG1-CD1 3.8Å; I206-F275 HydrophobicContact CG1-CD2 4.26Å; I206-F275 HydrophobicContact CG1-CE1 4.48Å; I206-F275 HydrophobicContact CG1-CG 3.67Å; D271-F275 PolarHBondContact O-N 3.23Å; D271-F275 VanDerWaalsContact O-N 3.08Å; A272-F275 PolarHBondContact O-N 2.89Å; L273-F275 PolarHBondContact O-N 2.79Å; F275-I277 VanDerWaalsContact C-N 3.34Å; F275-I277 PolarHBondContact O-N 2.84Å; F275-T278 PolarHBondContact O-N 2.68Å; F275-R279 HydrophobicContact CD1-CG 4.48Å; F275-R279 HydrophobicContact CD2-CG 4.02Å; F275-R279 HydrophobicContact CE1-CG 4.14Å; F275-R279 HydrophobicContact CE2-CG 3.63Å; F275-R279 HydrophobicContact CG-CG 4.43Å; F275-R279 HydrophobicContact CZ-CG 3.72Å; F275-R279 WeakPolarHBondContact O-CB 3.37Å; F275-R279 WeakPolarHBondContact O-CG 3.4Å; F275-R279 PolarHBondContact O-N 3.28Å; F275-F281 HydrophobicContact CD1-CD2 4.47Å; F275-F281 HydrophobicContact CD1-CE2 4.49Å; F275-F281 AromaticContact CE1-CD2 3.99Å; F275-F281 HydrophobicContact CE1-CD2 3.99Å; F275-F281 AromaticContact CE1-CE2 3.61Å; F275-F281 HydrophobicContact CE1-CE2 3.61Å; F275-F281 HydrophobicContact CZ-CE2 4.06Å
276	L	90.9	Very high	89.6	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-63.1	-39	-179.9	-66.5	177.8	0	0	0	112.4	F47 A48 L51 A272 L273 R274 G280 F281 I282	F47-L276 HydrophobicContact CB-CD1 4.22Å; A48-L276 HydrophobicContact CB-CD1 3.88Å; A48-L276 HydrophobicContact CB-CD2 3.64Å; A48-L276 HydrophobicContact CB-CG 4.4Å; L51-L276 HydrophobicContact CD1-CD2 3.66Å; A272-L276 VanDerWaalsContact O-CG 3.25Å; A272-L276 WeakPolarHBondContact O-CG 3.46Å; A272-L276 PolarHBondContact O-N 3.02Å; L273-L276 PolarHBondContact O-N 3.19Å; R274-L276 VanDerWaalsContact C-N 3.35Å; R274-L276 PolarHBondContact O-N 3.15Å; L276-G280 PolarHBondContact O-N 3.41Å; L276-G280 VanDerWaalsContact O-N 3.15Å; L276-F281 HydrophobicContact CB-CB 4.38Å; L276-F281 HydrophobicContact CD2-CB 3.72Å; L276-F281 HydrophobicContact CD2-CD2 3.95Å; L276-F281 HydrophobicContact CD2-CG 4.12Å; L276-F281 PolarHBondContact O-N 3.42Å; L276-I282 HydrophobicContact CB-CD1 4.03Å; L276-I282 HydrophobicContact CB-CG1 3.8Å
277	I	88	Confident	89.2	Confident	42 Å²	42	36.8 Å²	36.8	22%	0.215	17%	0.17	C	C	.	.	H	α-helix	trans	-66.8	-53.4	175	-69.3	169.5	0	0	0	110.1	L273 R274 F275 R279 G280 I282 L375 I379	L273-I277 HydrophobicContact CD1-CD1 3.94Å; L273-I277 HydrophobicContact CD1-CG1 4.35Å; L273-I277 HydrophobicContact CG-CD1 3.88Å; L273-I277 VanDerWaalsContact O-CG1 3.3Å; L273-I277 WeakPolarHBondContact O-CG1 3.39Å; L273-I277 PolarHBondContact O-N 2.95Å; R274-I277 PolarHBondContact O-N 3.3Å; F275-I277 VanDerWaalsContact C-N 3.34Å; F275-I277 PolarHBondContact O-N 2.84Å; I277-R279 VanDerWaalsContact C-N 3.28Å; I277-R279 PolarHBondContact O-N 2.85Å; I277-G280 PolarHBondContact O-N 2.71Å; I277-I282 HydrophobicContact CG1-CD1 3.63Å; I277-L375 HydrophobicContact CG1-CD1 3.98Å; I277-L375 HydrophobicContact CG2-CD1 4.1Å; I277-I379 HydrophobicContact CD1-CG1 3.98Å
278	T	85.4	Confident	88.5	Confident	85 Å²	85	37.2 Å²	37.2	52%	0.521	17%	0.172	S	C	.	.	H	α-helix	trans	-61.5	-35.1	-176.1	-58.7	0	0	0	0	112.6	R274 F275	R274-T278 WeakPolarHBondContact O-CB 3.45Å; R274-T278 PolarHBondContact O-N 3.08Å; R274-T278 PolarHBondContact O-OG1 3.3Å; F275-T278 PolarHBondContact O-N 2.68Å
279	R	86.4	Confident	87.2	Confident	142 Å²	142	40.9 Å²	40.9	54%	0.536	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-1.6	177.2	-62.1	-60.4	-170.6	177.4	1.6	113.6	F275 I277 F281 G362	F275-R279 HydrophobicContact CD1-CG 4.48Å; F275-R279 HydrophobicContact CD2-CG 4.02Å; F275-R279 HydrophobicContact CE1-CG 4.14Å; F275-R279 HydrophobicContact CE2-CG 3.63Å; F275-R279 HydrophobicContact CG-CG 4.43Å; F275-R279 HydrophobicContact CZ-CG 3.72Å; F275-R279 WeakPolarHBondContact O-CB 3.37Å; F275-R279 WeakPolarHBondContact O-CG 3.4Å; F275-R279 PolarHBondContact O-N 3.28Å; I277-R279 VanDerWaalsContact C-N 3.28Å; I277-R279 PolarHBondContact O-N 2.85Å; R279-F281 VanDerWaalsContact C-N 3.33Å; R279-F281 HydrophobicContact CB-CD2 3.52Å; R279-F281 HydrophobicContact CB-CE2 3.43Å; R279-F281 VanDerWaalsContact CB-CE2 3.43Å; R279-F281 HydrophobicContact CB-CZ 4.43Å; R279-F281 HydrophobicContact CG-CD2 4.46Å; R279-F281 HydrophobicContact CG-CE2 4.08Å; R279-F281 PolarHBondContact O-N 3.43Å; R279-G362 WeakPolarHBondContact O-CA 3.24Å
280	G	85.2	Confident	85.3	Confident	14 Å²	14	44.4 Å²	44.4	14%	0.144	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	25.3	178.4	0	0	0	0	0	114.5	L276 I277 I282 G362 L363 N364	L276-G280 PolarHBondContact O-N 3.41Å; L276-G280 VanDerWaalsContact O-N 3.15Å; I277-G280 PolarHBondContact O-N 2.71Å; G280-I282 VanDerWaalsContact C-N 3.26Å; G280-I282 PolarHBondContact O-N 2.93Å; G280-G362 CarbonylContact O-C 3.5Å; G280-L363 WeakPolarHBondContact O-CA 3.29Å; G280-L363 PolarHBondContact O-N 2.89Å; G280-N364 PolarHBondContact O-N 2.99Å
281	F	88	Confident	83	Confident	9 Å²	9	50.8 Å²	50.8	4%	0.039	24%	0.239	C	C	.	.			trans	-71	-21.9	177.3	-74.7	-65.3	0	0	0	113.2	H23 H50 L51 I195 F275 L276 R279 A283 L363	H23-F281 AromaticContact CD2-CZ 3.96Å; H23-F281 AromaticContact CE1-CE1 3.68Å; H23-F281 AromaticContact CE1-CZ 3.77Å; H23-F281 AromaticContact ND1-CE1 3.7Å; H23-F281 AromaticContact NE2-CZ 3.74Å; H50-F281 PolarHBondContact CE1-O 3.36Å; H50-F281 AromaticContact NE2-CD1 3.74Å; L51-F281 HydrophobicContact CD2-CD1 3.99Å; L51-F281 HydrophobicContact CD2-CE1 3.89Å; L51-F281 HydrophobicContact CD2-CZ 4.41Å; I195-F281 HydrophobicContact CD1-CE2 4.15Å; I195-F281 HydrophobicContact CD1-CZ 4.06Å; F275-F281 HydrophobicContact CD1-CD2 4.47Å; F275-F281 HydrophobicContact CD1-CE2 4.49Å; F275-F281 AromaticContact CE1-CD2 3.99Å; F275-F281 HydrophobicContact CE1-CD2 3.99Å; F275-F281 AromaticContact CE1-CE2 3.61Å; F275-F281 HydrophobicContact CE1-CE2 3.61Å; F275-F281 HydrophobicContact CZ-CE2 4.06Å; L276-F281 HydrophobicContact CB-CB 4.38Å; L276-F281 HydrophobicContact CD2-CB 3.72Å; L276-F281 HydrophobicContact CD2-CD2 3.95Å; L276-F281 HydrophobicContact CD2-CG 4.12Å; L276-F281 PolarHBondContact O-N 3.42Å; R279-F281 VanDerWaalsContact C-N 3.33Å; R279-F281 HydrophobicContact CB-CD2 3.52Å; R279-F281 HydrophobicContact CB-CE2 3.43Å; R279-F281 VanDerWaalsContact CB-CE2 3.43Å; R279-F281 HydrophobicContact CB-CZ 4.43Å; R279-F281 HydrophobicContact CG-CD2 4.46Å; R279-F281 HydrophobicContact CG-CE2 4.08Å; R279-F281 PolarHBondContact O-N 3.43Å; F281-A283 PolarHBondContact O-N 2.85Å; F281-L363 HydrophobicContact CD1-CD1 4.25Å
282	I	87.4	Confident	80.3	Confident	2 Å²	2	57.8 Å²	57.8	1%	0.01	27%	0.272	C	S	.	.			trans	-77.3	106.5	179	-51.7	-166.5	0	0	0	109.2	F47 L273 L276 I277 G280 N364 E374 A378	F47-I282 HydrophobicContact CB-CD1 4.13Å; F47-I282 HydrophobicContact CB-CG1 4.22Å; F47-I282 HydrophobicContact CG-CD1 4.27Å; L273-I282 HydrophobicContact CD1-CD1 4.04Å; L276-I282 HydrophobicContact CB-CD1 4.03Å; L276-I282 HydrophobicContact CB-CG1 3.8Å; I277-I282 HydrophobicContact CG1-CD1 3.63Å; G280-I282 VanDerWaalsContact C-N 3.26Å; G280-I282 PolarHBondContact O-N 2.93Å; I282-N364 VanDerWaalsContact O-CB 3.3Å; I282-N364 WeakPolarHBondContact O-CB 3.46Å; I282-N364 PolarHBondContact O-ND2 3.35Å; I282-E374 HydrophobicContact CG2-CB 4.11Å; I282-A378 HydrophobicContact CD1-CB 3.28Å; I282-A378 HydrophobicContact CG2-CB 4.02Å
283	A	86	Confident	77.2	Confident	0 Å²	0	66 Å²	66	0%	0	31%	0.307	C	S	.	.			trans	-144.1	164.6	-177.7	0	0	0	0	0	111.2	F281 H287 Q288 L363	F281-A283 PolarHBondContact O-N 2.85Å; A283-H287 HydrophobicContact CB-CB 4.03Å; A283-Q288 HydrophobicContact CB-CG 4.1Å; A283-Q288 WeakPolarHBondContact O-CG 3.48Å; A283-Q288 PolarHBondContact O-NE2 2.86Å; A283-L363 VanDerWaalsContact CB-C 3.46Å; A283-L363 HydrophobicContact CB-CB 3.54Å; A283-L363 WeakPolarHBondContact CB-O 3.33Å
284	C	87.8	Confident	74.3	Confident	9 Å²	9	69.8 Å²	69.8	6%	0.061	34%	0.335	C	S	.	.			trans	-70.6	161.4	172.7	76.8	0	0	0	0	111.4	I286 H287 Q288 A370 C371	C284-I286 PolarHBondContact O-N 2.98Å; C284-I286 VanDerWaalsContact O-N 3.11Å; C284-H287 PolarHBondContact O-N 3.2Å; C284-H287 PolarHBondContact SG-ND1 3.29Å; C284-Q288 WeakPolarHBondContact O-CG 3.29Å; C284-Q288 PolarHBondContact O-N 2.9Å; C284-A370 HydrophobicContact CB-CB 3.51Å; C284-C371 PolarHBondContact N-SG 3.37Å; C284-C371 VanDerWaalsContact SG-SG 3.62Å
285	R	83.3	Confident	71.6	Confident	216 Å²	216	74.5 Å²	74.5	82%	0.815	36%	0.362	S	S	*	.	H	α-helix	trans	-50.8	-40.6	-177.1	-66.8	-176.4	179.7	-179	-0.7	113.7	H287 Q288 T289	R285-H287 VanDerWaalsContact C-N 3.29Å; R285-H287 PolarHBondContact O-N 3.46Å; R285-Q288 PolarHBondContact O-N 2.9Å; R285-T289 PolarHBondContact O-N 2.91Å; R285-T289 PolarHBondContact O-OG1 3Å
286	I	82.2	Confident	69	Low	96 Å²	96	80.2 Å²	80.2	49%	0.492	39%	0.392	S	S	.	.	H	α-helix	trans	-63.2	-36.1	-179.9	-59.7	172.7	0	0	0	111.9	C284 T289	C284-I286 PolarHBondContact O-N 2.98Å; C284-I286 VanDerWaalsContact O-N 3.11Å; I286-T289 PolarHBondContact O-OG1 3.19Å
287	H	82.5	Confident	66.4	Low	39 Å²	39	84.3 Å²	84.3	18%	0.181	42%	0.421	C	S	.	.	H	α-helix	trans	-89.5	-23.6	-178.9	-67	122.7	0	0	0	112.6	A283 C284 R285 T289 L363 V365 C368 C371	A283-H287 HydrophobicContact CB-CB 4.03Å; C284-H287 PolarHBondContact O-N 3.2Å; C284-H287 PolarHBondContact SG-ND1 3.29Å; R285-H287 VanDerWaalsContact C-N 3.29Å; R285-H287 PolarHBondContact O-N 3.46Å; H287-T289 VanDerWaalsContact C-N 3.34Å; H287-L363 WeakPolarHBondContact CB-O 3.34Å; H287-L363 WeakPolarHBondContact O-CD2 3.4Å; H287-V365 HydrophobicContact CB-CG2 4.46Å; H287-C368 PolarHBondContact CE1-SG 2.73Å; H287-C371 PolarHBondContact ND1-SG 3.47Å
288	Q	77.9	Confident	63.9	Low	36 Å²	36	91.9 Å²	91.9	17%	0.168	45%	0.447	C	S	.	.	H	α-helix	trans	-66.4	-35.6	170.3	-68.5	-179.2	5.8	0	0	112.5	A283 C284 R285	A283-Q288 HydrophobicContact CB-CG 4.1Å; A283-Q288 WeakPolarHBondContact O-CG 3.48Å; A283-Q288 PolarHBondContact O-NE2 2.86Å; C284-Q288 WeakPolarHBondContact O-CG 3.29Å; C284-Q288 PolarHBondContact O-N 2.9Å; R285-Q288 PolarHBondContact O-N 2.9Å
289	T	66.6	Low	61.5	Low	78 Å²	78	96.2 Å²	96.2	48%	0.479	46%	0.463	S	S	.	.	S	Bend	trans	-83.2	125.4	-179.9	53	0	0	0	0	111.3	R16 R285 I286 H287 R291	R16-T289 PolarHBondContact NH1-O 3.32Å; R285-T289 PolarHBondContact O-N 2.91Å; R285-T289 PolarHBondContact O-OG1 3Å; I286-T289 PolarHBondContact O-OG1 3.19Å; H287-T289 VanDerWaalsContact C-N 3.34Å; T289-R291 PolarHBondContact O-N 3.16Å
290	P	55.2	Low	59	Low	74 Å²	74	98.8 Å²	98.8	48%	0.481	48%	0.478	S	S	.	.			trans	-57.6	120.5	164.3	22.2	-27.6	0	0	0	108.7	R16 E292	R16-P290 VanDerWaalsContact NH1-CA 3.27Å; P290-E292 VanDerWaalsContact C-N 3.27Å; P290-E292 PolarHBondContact O-N 3.42Å
291	R	46.8	Very low	56.6	Low	169 Å²	169	102.8 Å²	102.8	64%	0.638	50%	0.504	S	S	*	.			trans	-71.3	89.7	170.3	-72.4	-174.3	-176.7	-176.7	1.1	107.4	T289	T289-R291 PolarHBondContact O-N 3.16Å
292	E	35.1	Very low	54.1	Low	150 Å²	150	114 Å²	114	70%	0.701	55%	0.546	S	S	*	.			trans	-65.7	135.1	156	-65.3	-176.9	170.2	0	0	106.6	P290	P290-E292 VanDerWaalsContact C-N 3.27Å; P290-E292 PolarHBondContact O-N 3.42Å
293	F	31.3	Very low	51.5	Low	172 Å²	172	121.5 Å²	121.5	75%	0.754	59%	0.586	S	S	*	*			trans	85.2	85.2	-178.6	-57.6	-86.7	0	0	0	118.9	I296	F293-I296 HydrophobicContact CD1-CD1 4.22Å
294	S	32.3	Very low	48.9	Very low	89 Å²	89	126.8 Å²	126.8	62%	0.622	62%	0.623	S	S	*	*			trans	-148.2	49.6	140.8	68.1	0	0	0	0	112.2
295	N	34.4	Very low	46.2	Very low	132 Å²	132	131.8 Å²	131.8	71%	0.706	66%	0.656	S	S	*	*	S	Bend	trans	-100.6	-0.2	163.7	-79.5	-20.9	0	0	0	112.9
296	I	36.5	Very low	43.6	Very low	131 Å²	131	132.6 Å²	132.6	67%	0.672	66%	0.659	S	S	*	*	S	Bend	trans	-81.6	-18.9	177.6	-64.4	174.4	0	0	0	112.1	F293	F293-I296 HydrophobicContact CD1-CD1 4.22Å
297	S	36.4	Very low	41.2	Very low	86 Å²	86	135.6 Å²	135.6	60%	0.601	67%	0.674	S	S	*	*	S	Bend	trans	-87	-10.8	176.8	48.2	0	0	0	0	114.6
298	R	35.5	Very low	38.8	Very low	200 Å²	200	144.2 Å²	144.2	76%	0.755	71%	0.705	S	S	*	*	S	Bend	trans	-91.8	-3.3	177.3	-98.7	-176.6	-166.7	171.4	5.3	115.4
299	M	34.1	Very low	36.6	Very low	177 Å²	177	153.8 Å²	153.8	87%	0.872	74%	0.74	S	S	*	*	S	Bend	trans	-109.9	7.7	175.4	-69.7	-150.8	92.2	0	0	115.2
300	K	34.9	Very low	34.8	Very low	195 Å²	195	158.3 Å²	158.3	85%	0.848	76%	0.76	S	S	*	*	S	Bend	trans	-120.6	11.3	175.4	-81.8	-172.2	175.8	-178.2	0	115.9
301	S	34.4	Very low	33.8	Very low	99 Å²	99	163.1 Å²	163.1	69%	0.692	78%	0.776	S	S	*	*			trans	-128.3	62.4	175.4	177.4	0	0	0	0	111
302	R	34.6	Very low	33.2	Very low	243 Å²	243	160 Å²	160	92%	0.917	78%	0.779	S	S	*	*	S	Bend	trans	-121.4	4.4	165.3	-120.3	178.4	175.2	174.7	-2.9	114.1
303	N	33.5	Very low	32.8	Very low	161 Å²	161	158.6 Å²	158.6	86%	0.861	79%	0.785	S	S	*	*	S	Bend	trans	-146.4	84.2	172.8	-80.1	-23.3	0	0	0	109.8
304	S	30.9	Very low	33	Very low	110 Å²	110	157.6 Å²	157.6	77%	0.769	79%	0.787	S	S	*	*			trans	-170.4	134.7	151.2	-162.2	0	0	0	0	109.5
305	P	32.6	Very low	33.2	Very low	115 Å²	115	158.3 Å²	158.3	75%	0.747	79%	0.792	S	S	*	*			trans	-82	155.5	-160.6	33.6	-33.8	0	0	0	113.4	I307	P305-I307 PolarHBondContact O-N 2.82Å
306	R	27.8	Very low	32.9	Very low	232 Å²	232	159.8 Å²	159.8	88%	0.875	80%	0.799	S	S	*	*			trans	-32.6	122.3	174.9	-69.9	168.9	171.3	155.3	-3.1	114.5
307	I	32.2	Very low	32.7	Very low	159 Å²	159	159.7 Å²	159.7	82%	0.815	81%	0.805	S	S	*	*			trans	-114.2	106.6	153.3	-62.6	177.3	0	0	0	107.3	P305	P305-I307 PolarHBondContact O-N 2.82Å
308	R	30.8	Very low	32.5	Very low	221 Å²	221	160.3 Å²	160.3	83%	0.834	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-69.6	121.1	166.9	-74.1	178.6	-177.7	168.2	0.1	107.7
309	R	32.2	Very low	32.3	Very low	237 Å²	237	155.2 Å²	155.2	89%	0.894	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-86.6	124.4	159.7	-86.4	-173.1	-173.4	168.1	2.5	108.5
310	L	29.4	Very low	32.3	Very low	172 Å²	172	155.7 Å²	155.7	90%	0.901	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-60.4	139	-178.7	-78.7	133.9	0	0	0	111.9
311	H	34.5	Very low	32.3	Very low	176 Å²	176	152.5 Å²	152.5	82%	0.815	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-69.3	146.6	164.5	-91.4	-101.7	0	0	0	111
312	S	34.3	Very low	32.4	Very low	102 Å²	102	155.5 Å²	155.5	71%	0.713	80%	0.795	S	S	*	*			trans	31.3	119.7	151.9	61.7	0	0	0	0	118.9	D314	S312-D314 PolarHBondContact O-N 3.05Å
313	C	26.5	Very low	32.3	Very low	121 Å²	121	150.3 Å²	150.3	82%	0.818	79%	0.785	S	S	*	*			trans	-44.4	119.7	145	-64.9	0	0	0	0	109.3
314	D	35.3	Very low	32.5	Very low	151 Å²	151	149.2 Å²	149.2	81%	0.807	78%	0.78	S	S	*	*			trans	-172	140.9	130.2	-87	-28.3	0	0	0	109.9	S312	S312-D314 PolarHBondContact O-N 3.05Å
315	S	35.8	Very low	32.7	Very low	104 Å²	104	148.8 Å²	148.8	73%	0.727	78%	0.776	S	S	*	*			trans	61.7	101.1	158.8	56.7	0	0	0	0	121.5
316	L	28.9	Very low	32.9	Very low	163 Å²	163	150.3 Å²	150.3	85%	0.853	78%	0.778	S	S	*	*				63.4	123	113.5	-74.1	160.3	0	0	0	121.1
317	V	32.9	Very low	33.3	Very low	129 Å²	129	143.8 Å²	143.8	78%	0.782	77%	0.768	S	S	*	*			trans	97.5	100.8	138.4	179.4	0	0	0	0	118.8
318	S	32.5	Very low	33.4	Very low	100 Å²	100	142.7 Å²	142.7	70%	0.699	76%	0.764	S	S	*	*				77.6	106.1	125.9	-153.1	0	0	0	0	122.1
319	S	31.4	Very low	33.6	Very low	92 Å²	92	140.3 Å²	140.3	64%	0.643	76%	0.762	S	S	*	*				86.8	127.9	117.8	70.5	0	0	0	0	122.4
320	K	34	Very low	33.8	Very low	188 Å²	188	136 Å²	136	82%	0.817	76%	0.757	S	S	*	*			trans	76.6	145.2	146.7	-71.5	-178.6	177.4	175.9	0	118.3
321	I	34	Very low	34.1	Very low	127 Å²	127	137.6 Å²	137.6	65%	0.651	75%	0.751	S	S	*	*			cis	-177.5	152.4	-17.2	-108.6	173.2	0	0	0	104.5
322	H	36	Very low	34.1	Very low	162 Å²	162	138.9 Å²	138.9	75%	0.75	75%	0.75	S	S	*	*			trans	83.9	103.1	158	-80.1	-51.5	0	0	0	123.8
323	N	33	Very low	34.1	Very low	134 Å²	134	138.8 Å²	138.8	72%	0.717	75%	0.747	S	S	*	*				26.4	145.7	119.8	-66.8	2.2	0	0	0	125.3
324	D	36.7	Very low	34.3	Very low	139 Å²	139	141.6 Å²	141.6	74%	0.743	75%	0.748	S	S	*	*			trans	112.2	105.8	142.7	-65.8	-33.9	0	0	0	115.9
325	S	36.1	Very low	34.2	Very low	100 Å²	100	141.3 Å²	141.3	70%	0.699	75%	0.752	S	S	*	*				94.5	130.6	65.5	-63.7	0	0	0	0	112.7
326	D	37.8	Very low	33.9	Very low	147 Å²	147	142.1 Å²	142.1	79%	0.786	76%	0.758	S	S	*	*			trans	88	102.6	155.1	-63.9	-19.6	0	0	0	124.6
327	S	35.1	Very low	34.2	Very low	95 Å²	95	139.6 Å²	139.6	66%	0.664	75%	0.754	S	S	*	*				88.2	147.8	110.2	82	0	0	0	0	123.3
328	N	35	Very low	34	Very low	137 Å²	137	140.2 Å²	140.2	73%	0.733	76%	0.758	S	S	*	*			trans	88.3	102.2	162.8	-62.8	-25.6	0	0	0	118.7
329	Q	35.3	Very low	34.1	Very low	170 Å²	170	141.7 Å²	141.7	79%	0.794	76%	0.763	S	S	*	*				71.2	111.6	79.9	-78.6	-160.3	12.4	0	0	115.5
330	N	36	Very low	33.9	Very low	148 Å²	148	147.6 Å²	147.6	79%	0.791	77%	0.771	S	S	*	*			trans	167.1	110.8	132.2	-84.7	-31.2	0	0	0	109.5
331	R	34.5	Very low	33.6	Very low	205 Å²	205	144.6 Å²	144.6	77%	0.774	77%	0.768	S	S	*	*				67.8	99.5	81.1	-98.8	-173.5	-175	-175.2	3.5	115.9
332	Y	34.6	Very low	33.4	Very low	202 Å²	202	144 Å²	144	79%	0.792	77%	0.77	S	S	*	*				147	147.5	119.7	-88.4	-76.8	0	0	0	113.9
333	P	36.1	Very low	33.1	Very low	100 Å²	100	145.5 Å²	145.5	65%	0.649	78%	0.775	S	S	*	*			trans	-116.6	171.7	-162.6	42.3	-29.3	0	0	0	116.2
334	E	30.1	Very low	33	Very low	180 Å²	180	144.1 Å²	144.1	84%	0.841	78%	0.775	S	S	*	*			trans	61	115.2	151.7	-75	177.6	-168.5	0	0	121.3
335	T	33.6	Very low	32.7	Very low	145 Å²	145	142 Å²	142	89%	0.89	77%	0.772	S	S	*	*			trans	-156	133.9	131.8	41.1	0	0	0	0	111.1
336	S	29.6	Very low	32.5	Very low	122 Å²	122	146.4 Å²	146.4	85%	0.853	78%	0.778	S	S	*	*			trans	-67.8	144.1	173.8	57.4	0	0	0	0	113.5
337	S	34.5	Very low	31.9	Very low	110 Å²	110	149 Å²	149	77%	0.769	78%	0.783	S	S	*	*			trans	-143.6	125.7	156.2	60.1	0	0	0	0	111.7
338	V	28.7	Very low	31.6	Very low	142 Å²	142	152.2 Å²	152.2	86%	0.861	79%	0.791	S	S	*	*			trans	-86.2	127.3	167.9	168.9	0	0	0	0	107.1
339	V	33.4	Very low	31.2	Very low	131 Å²	131	149.3 Å²	149.3	79%	0.794	79%	0.793	S	S	*	*			trans	-129.7	128.9	170.4	177.5	0	0	0	0	109.9
340	R	27.2	Very low	31	Very low	216 Å²	216	147 Å²	147	82%	0.815	80%	0.796	S	S	*	*			trans	-84.4	173.3	179	-79.5	176.5	167.2	150.7	-3.2	112.3
341	T	28.9	Very low	30.7	Very low	125 Å²	125	144.1 Å²	144.1	77%	0.767	79%	0.792	S	S	*	*			trans	90.1	137	144.8	-0.8	0	0	0	0	114.4
342	V	30.6	Very low	30.4	Very low	114 Å²	114	140.5 Å²	140.5	69%	0.691	80%	0.795	S	S	*	*			cis	-165.3	143.9	41.7	175.2	0	0	0	0	111.8
343	K	28.5	Very low	30.3	Very low	194 Å²	194	140.4 Å²	140.4	84%	0.843	80%	0.799	S	S	*	*			trans	20.7	143.2	146.2	-51	168.4	179.7	177.8	0	120.2
344	S	31.9	Very low	29.9	Very low	104 Å²	104	145.5 Å²	145.5	73%	0.727	81%	0.811	S	S	*	*				177.3	135	68.1	178.1	0	0	0	0	114.6
345	S	30.2	Very low	29.8	Very low	96 Å²	96	144.6 Å²	144.6	67%	0.671	81%	0.811	S	S	*	*			trans	69.5	123.9	137.3	70.4	0	0	0	0	125.6
346	K	32	Very low	29.5	Very low	192 Å²	192	145.5 Å²	145.5	84%	0.835	81%	0.809	S	S	*	*			trans	105.2	108.5	131.9	-81.8	171	-178.4	-178.8	0	120.2
347	F	24.4	Very low	29.4	Very low	201 Å²	201	144.4 Å²	144.4	88%	0.882	80%	0.801	S	S	*	*			trans	31.5	130.2	136.6	-76.3	-95.4	0	0	0	118
348	I	29.6	Very low	29.1	Very low	163 Å²	163	142.6 Å²	142.6	84%	0.836	80%	0.8	S	S	*	*				-166.1	148.1	68.7	-74.3	170.8	0	0	0	108.2
349	G	25.3	Very low	29.3	Very low	75 Å²	75	139.2 Å²	139.2	77%	0.773	78%	0.783	S	S	*	*			trans	-67.6	153.6	-171.2	0	0	0	0	0	117.1
350	S	30.9	Very low	29.5	Very low	122 Å²	122	136.9 Å²	136.9	85%	0.853	79%	0.785	S	S	*	*			trans	-146.8	136.6	161.1	55	0	0	0	0	110.5
351	A	30.3	Very low	30.8	Very low	87 Å²	87	131.6 Å²	131.6	72%	0.719	77%	0.772	S	S	*	*			trans	-64.3	162.2	-170.9	0	0	0	0	0	114.1	K353	A351-K353 PolarHBondContact O-N 3.1Å
352	P	28.8	Very low	32.2	Very low	129 Å²	129	127.2 Å²	127.2	84%	0.838	75%	0.752	S	S	*	*			trans	-73.8	119.3	-172.2	30.7	-31.1	0	0	0	110.4	K354	P352-K354 PolarHBondContact O-N 2.82Å; P352-K354 VanDerWaalsContact O-N 3.12Å
353	K	32.4	Very low	34.4	Very low	200 Å²	200	123.9 Å²	123.9	87%	0.87	73%	0.73	S	S	*	*			trans	-61.7	112.4	166.1	-73.2	-177.9	177.8	180	0	108.6	A351 L355	A351-K353 PolarHBondContact O-N 3.1Å; K353-L355 PolarHBondContact O-N 3.34Å
354	K	27.4	Very low	36.8	Very low	207 Å²	207	116.6 Å²	116.6	90%	0.9	70%	0.7	S	S	*	*			trans	-61.9	101.8	167.8	-123.8	177.9	-178.1	178.7	0	107.8	P352 I356	P352-K354 PolarHBondContact O-N 2.82Å; P352-K354 VanDerWaalsContact O-N 3.12Å; K354-I356 PolarHBondContact O-N 3.26Å
355	L	27.2	Very low	39.3	Very low	161 Å²	161	114 Å²	114	84%	0.843	68%	0.68	S	S	*	*			trans	-70.8	107.7	175.8	-150.8	85.9	0	0	0	108.5	K353 S357	K353-L355 PolarHBondContact O-N 3.34Å; L355-S357 PolarHBondContact O-N 3.12Å; L355-S357 VanDerWaalsContact O-N 3.15Å
356	I	28.2	Very low	41.7	Very low	164 Å²	164	112.7 Å²	112.7	84%	0.841	68%	0.675	S	S	*	*			trans	-71.6	103	166.2	-61.8	172.6	0	0	0	106.3	K354 G358	K354-I356 PolarHBondContact O-N 3.26Å; I356-G358 VanDerWaalsContact C-N 3.33Å; I356-G358 PolarHBondContact O-N 2.78Å
357	S	27.5	Very low	44.2	Very low	99 Å²	99	112.4 Å²	112.4	69%	0.692	68%	0.676	S	S	*	*			trans	-72.1	87.8	175.1	-177.3	0	0	0	0	110	L355	L355-S357 PolarHBondContact O-N 3.12Å; L355-S357 VanDerWaalsContact O-N 3.15Å
358	G	27.6	Very low	47.2	Very low	72 Å²	72	104.1 Å²	104.1	74%	0.742	64%	0.643	S	S	*	*			trans	-103.8	62.2	165.6	0	0	0	0	0	110.6	I356 G360	I356-G358 VanDerWaalsContact C-N 3.33Å; I356-G358 PolarHBondContact O-N 2.78Å; G358-G360 PolarHBondContact O-N 3.23Å
359	S	33.3	Very low	50.1	Low	72 Å²	72	100.6 Å²	100.6	50%	0.503	63%	0.631	S	S	.	*			trans	-83	104.5	170.8	39.1	0	0	0	0	109.1	I361	S359-I361 PolarHBondContact O-N 3.48Å
360	G	36.3	Very low	53.2	Low	82 Å²	82	99.1 Å²	99.1	85%	0.845	61%	0.612	S	S	*	*			trans	-70.6	95.8	174	0	0	0	0	0	110.8	G358 G362	G358-G360 PolarHBondContact O-N 3.23Å; G360-G362 PolarHBondContact O-N 2.79Å
361	I	54.5	Low	56	Low	104 Å²	104	93.3 Å²	93.3	53%	0.533	57%	0.571	S	S	.	*			trans	-98.6	65.9	177.5	-48.9	160.5	0	0	0	109.3	S20 S359	S20-I361 VanDerWaalsContact CB-CG2 3.45Å; S359-I361 PolarHBondContact O-N 3.48Å
362	G	60.2	Low	58.8	Low	34 Å²	34	97 Å²	97	35%	0.351	57%	0.567	S	S	.	*			trans	-80.2	158.2	172.9	0	0	0	0	0	112.4	R279 G280 G360	R279-G362 WeakPolarHBondContact O-CA 3.24Å; G280-G362 CarbonylContact O-C 3.5Å; G360-G362 PolarHBondContact O-N 2.79Å
363	L	76.8	Confident	61.8	Low	44 Å²	44	95.1 Å²	95.1	23%	0.23	55%	0.549	C	S	.	.	S	Bend	trans	-83.5	-22.7	171.6	-62.3	166.5	0	0	0	112.1	H50 G280 F281 A283 H287	H50-L363 VanDerWaalsContact CE1-CD1 3.43Å; H50-L363 WeakPolarHBondContact CE1-CD1 3.45Å; H50-L363 WeakPolarHBondContact NE2-CD1 3.33Å; G280-L363 WeakPolarHBondContact O-CA 3.29Å; G280-L363 PolarHBondContact O-N 2.89Å; F281-L363 HydrophobicContact CD1-CD1 4.25Å; A283-L363 VanDerWaalsContact CB-C 3.46Å; A283-L363 HydrophobicContact CB-CB 3.54Å; A283-L363 WeakPolarHBondContact CB-O 3.33Å; H287-L363 WeakPolarHBondContact CB-O 3.34Å; H287-L363 WeakPolarHBondContact O-CD2 3.4Å
364	N	79	Confident	64.5	Low	41 Å²	41	87.9 Å²	87.9	22%	0.219	52%	0.519	C	S	.	.			trans	-64.8	135.8	-179.1	-165.7	-59.4	0	0	0	110.6	G280 I282	G280-N364 PolarHBondContact O-N 2.99Å; I282-N364 VanDerWaalsContact O-CB 3.3Å; I282-N364 WeakPolarHBondContact O-CB 3.46Å; I282-N364 PolarHBondContact O-ND2 3.35Å
365	V	83.8	Confident	67.5	Low	49 Å²	49	80.4 Å²	80.4	30%	0.297	49%	0.489	S	S	.	.			trans	-116.8	111.9	174.5	178.8	0	0	0	0	107.4	H287 H367 C368 C371	H287-V365 HydrophobicContact CB-CG2 4.46Å; V365-H367 VanDerWaalsContact C-N 3.26Å; V365-H367 PolarHBondContact O-N 3.15Å; V365-C368 HydrophobicContact CB-CB 3.94Å; V365-C368 HydrophobicContact CG1-CB 4.15Å; V365-C368 WeakPolarHBondContact O-CB 3.41Å; V365-C368 PolarHBondContact O-N 3.02Å; V365-C371 WeakPolarHBondContact O-CB 3.31Å
366	A	79.8	Confident	70.5	Confident	69 Å²	69	80.4 Å²	80.4	57%	0.57	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-38.6	-172.9	0	0	0	0	0	113.1	C368 R372	A366-C368 VanDerWaalsContact C-N 3.3Å; A366-C368 PolarHBondContact O-N 2.76Å; A366-R372 VanDerWaalsContact O-CD 3.25Å; A366-R372 WeakPolarHBondContact O-CD 3.35Å; A366-R372 WeakPolarHBondContact O-CG 3.46Å
367	H	83.8	Confident	73.5	Confident	186 Å²	186	79 Å²	79	86%	0.861	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-7.3	179.2	-54.4	-69.1	0	0	0	114.1	V365 C369	V365-H367 VanDerWaalsContact C-N 3.26Å; V365-H367 PolarHBondContact O-N 3.15Å; H367-C369 PolarHBondContact O-N 3.25Å
368	C	89.2	Confident	76.5	Confident	27 Å²	27	74.3 Å²	74.3	18%	0.182	43%	0.43	C	S	.	.			trans	-84.8	113.5	177.2	-178.6	0	0	0	0	110.6	H287 V365 A366 A370 C371 R372	H287-C368 PolarHBondContact CE1-SG 2.73Å; V365-C368 HydrophobicContact CB-CB 3.94Å; V365-C368 HydrophobicContact CG1-CB 4.15Å; V365-C368 WeakPolarHBondContact O-CB 3.41Å; V365-C368 PolarHBondContact O-N 3.02Å; A366-C368 VanDerWaalsContact C-N 3.3Å; A366-C368 PolarHBondContact O-N 2.76Å; C368-A370 PolarHBondContact O-N 3.23Å; C368-C371 HydrophobicContact CB-CB 3.93Å; C368-C371 PolarHBondContact O-N 3.37Å; C368-R372 PolarHBondContact O-N 3.26Å
369	C	90.5	Very high	79.4	Confident	88 Å²	88	75.4 Å²	75.4	60%	0.595	42%	0.417	S	S	*	.	H	α-helix	trans	-52.7	-41.5	175.9	-179.5	0	0	0	0	112.3	H367 C371 R372 N373	H367-C369 PolarHBondContact O-N 3.25Å; C369-C371 PolarHBondContact O-N 3.03Å; C369-R372 PolarHBondContact O-N 3.39Å; C369-N373 VanDerWaalsContact O-CG 3.27Å; C369-N373 PolarHBondContact O-N 2.85Å
370	A	90.5	Very high	82.1	Confident	44 Å²	44	76.7 Å²	76.7	36%	0.364	42%	0.419	S	S	.	.	H	α-helix	trans	-65.8	-37.4	177.7	0	0	0	0	0	113	C284 C368 N373 E374	C284-A370 HydrophobicContact CB-CB 3.51Å; C368-A370 PolarHBondContact O-N 3.23Å; A370-N373 PolarHBondContact O-N 3.36Å; A370-E374 WeakPolarHBondContact O-CG 3.39Å; A370-E374 PolarHBondContact O-N 2.91Å
371	C	89.4	Confident	84.7	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-67.5	-39.1	174	-70.3	0	0	0	0	111.7	C284 H287 V365 C368 C369 N373 E374 L375	C284-C371 PolarHBondContact N-SG 3.37Å; C284-C371 VanDerWaalsContact SG-SG 3.62Å; H287-C371 PolarHBondContact ND1-SG 3.47Å; V365-C371 WeakPolarHBondContact O-CB 3.31Å; C368-C371 HydrophobicContact CB-CB 3.93Å; C368-C371 PolarHBondContact O-N 3.37Å; C369-C371 PolarHBondContact O-N 3.03Å; C371-N373 VanDerWaalsContact C-N 3.34Å; C371-E374 PolarHBondContact O-N 3.24Å; C371-L375 WeakPolarHBondContact O-CB 3.42Å; C371-L375 PolarHBondContact O-N 2.9Å
372	R	89.3	Confident	86.4	Confident	165 Å²	165	71.7 Å²	71.7	62%	0.623	38%	0.38	S	S	*	.	H	α-helix	trans	-62.1	-41.7	174.2	-71.1	177.8	61.4	172.7	0.4	111.8	A366 C368 C369 L375 Y376	A366-R372 VanDerWaalsContact O-CD 3.25Å; A366-R372 WeakPolarHBondContact O-CD 3.35Å; A366-R372 WeakPolarHBondContact O-CG 3.46Å; C368-R372 PolarHBondContact O-N 3.26Å; C369-R372 PolarHBondContact O-N 3.39Å; R372-L375 PolarHBondContact O-N 3.39Å; R372-Y376 WeakPolarHBondContact O-CB 3.49Å; R372-Y376 PolarHBondContact O-N 2.82Å
373	N	91.2	Very high	87.9	Confident	89 Å²	89	70.3 Å²	70.3	48%	0.476	37%	0.365	S	S	.	.	H	α-helix	trans	-64.5	-43.5	176.5	-70.4	-11.3	0	0	0	111.7	C369 A370 C371 L375 Y376 R377	C369-N373 VanDerWaalsContact O-CG 3.27Å; C369-N373 PolarHBondContact O-N 2.85Å; A370-N373 PolarHBondContact O-N 3.36Å; C371-N373 VanDerWaalsContact C-N 3.34Å; N373-L375 VanDerWaalsContact C-N 3.34Å; N373-L375 PolarHBondContact O-N 3.49Å; N373-Y376 PolarHBondContact O-N 3.05Å; N373-R377 VanDerWaalsContact O-CG 3.29Å; N373-R377 WeakPolarHBondContact O-CG 3.4Å; N373-R377 PolarHBondContact O-N 2.94Å
374	E	89.7	Confident	88.6	Confident	49 Å²	49	70.4 Å²	70.4	23%	0.229	37%	0.368	C	S	.	.	H	α-helix	trans	-63.8	-39.4	175.2	-71.7	-56.3	131.8	0	0	112.1	I282 A370 C371 R377 A378	I282-E374 HydrophobicContact CG2-CB 4.11Å; A370-E374 WeakPolarHBondContact O-CG 3.39Å; A370-E374 PolarHBondContact O-N 2.91Å; C371-E374 PolarHBondContact O-N 3.24Å; E374-R377 PolarHBondContact O-N 2.81Å; E374-R377 IonicContact OE1-NH1 3.72Å; E374-R377 PolarHBondContact OE1-NH1 3.18Å; E374-R377 IonicContact OE2-NH1 2.64Å; E374-A378 WeakPolarHBondContact O-CB 3.41Å; E374-A378 PolarHBondContact O-N 3.16Å
375	L	90.4	Very high	89.1	Confident	50 Å²	50	73.3 Å²	73.3	26%	0.262	39%	0.391	S	S	.	.	H	α-helix	trans	-64.2	-42.4	173.9	-176	63.1	0	0	0	112.2	I277 C371 R372 N373 A378 I379	I277-L375 HydrophobicContact CG1-CD1 3.98Å; I277-L375 HydrophobicContact CG2-CD1 4.1Å; C371-L375 WeakPolarHBondContact O-CB 3.42Å; C371-L375 PolarHBondContact O-N 2.9Å; R372-L375 PolarHBondContact O-N 3.39Å; N373-L375 VanDerWaalsContact C-N 3.34Å; N373-L375 PolarHBondContact O-N 3.49Å; L375-A378 WeakPolarHBondContact O-CB 3.47Å; L375-A378 PolarHBondContact O-N 3.11Å; L375-A378 VanDerWaalsContact O-N 3.17Å; L375-I379 HydrophobicContact CD1-CD1 4.26Å; L375-I379 HydrophobicContact CD1-CG1 4.46Å; L375-I379 HydrophobicContact CG-CD1 3.96Å; L375-I379 WeakPolarHBondContact O-CG1 3.38Å; L375-I379 PolarHBondContact O-N 3.24Å
376	Y	89.5	Confident	89.3	Confident	160 Å²	160	73.3 Å²	73.3	63%	0.627	39%	0.393	S	S	*	.	H	α-helix	trans	-62.9	-41.5	175.7	-178.4	-96.3	0	0	0	111.9	R372 N373 A378 N380	R372-Y376 WeakPolarHBondContact O-CB 3.49Å; R372-Y376 PolarHBondContact O-N 2.82Å; N373-Y376 PolarHBondContact O-N 3.05Å; Y376-A378 VanDerWaalsContact C-N 3.26Å; Y376-A378 PolarHBondContact O-N 3.22Å; Y376-N380 WeakPolarHBondContact CE1-ND2 3.34Å; Y376-N380 VanDerWaalsContact CE2-ND2 3.32Å; Y376-N380 WeakPolarHBondContact CE2-ND2 3.32Å; Y376-N380 PolarHBondContact O-N 2.97Å; Y376-N380 PolarHBondContact O-ND2 2.62Å
377	R	91.6	Very high	89.7	Confident	135 Å²	135	70.1 Å²	70.1	51%	0.509	37%	0.367	S	S	.	.	H	α-helix	trans	-62.7	-35.6	173.6	-72.2	176.8	72.6	-167.1	5	112	N373 E374 S381	N373-R377 VanDerWaalsContact O-CG 3.29Å; N373-R377 WeakPolarHBondContact O-CG 3.4Å; N373-R377 PolarHBondContact O-N 2.94Å; E374-R377 PolarHBondContact O-N 2.81Å; E374-R377 IonicContact OE1-NH1 3.72Å; E374-R377 PolarHBondContact OE1-NH1 3.18Å; E374-R377 IonicContact OE2-NH1 2.64Å; R377-S381 WeakPolarHBondContact O-CB 3.3Å; R377-S381 PolarHBondContact O-N 3.36Å
378	A	90.2	Very high	89.9	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-70	-49.4	178.9	0	0	0	0	0	112.4	F47 L273 I282 E374 L375 Y376 N380 S381	F47-A378 HydrophobicContact CD1-CB 3.94Å; F47-A378 HydrophobicContact CE1-CB 3.77Å; F47-A378 HydrophobicContact CE2-CB 4.39Å; F47-A378 HydrophobicContact CG-CB 4.35Å; F47-A378 HydrophobicContact CZ-CB 4.02Å; L273-A378 HydrophobicContact CD1-CB 3.86Å; L273-A378 WeakPolarHBondContact CD2-O 3.47Å; I282-A378 HydrophobicContact CD1-CB 3.28Å; I282-A378 HydrophobicContact CG2-CB 4.02Å; E374-A378 WeakPolarHBondContact O-CB 3.41Å; E374-A378 PolarHBondContact O-N 3.16Å; L375-A378 WeakPolarHBondContact O-CB 3.47Å; L375-A378 PolarHBondContact O-N 3.11Å; L375-A378 VanDerWaalsContact O-N 3.17Å; Y376-A378 VanDerWaalsContact C-N 3.26Å; Y376-A378 PolarHBondContact O-N 3.22Å; A378-N380 PolarHBondContact O-N 3.15Å; A378-S381 WeakPolarHBondContact O-CB 3.27Å; A378-S381 PolarHBondContact O-N 3.37Å; A378-S381 PolarHBondContact O-OG 3.49Å
379	I	88.8	Confident	89.8	Confident	95 Å²	95	63.9 Å²	63.9	49%	0.487	34%	0.344	S	S	.	.	H	α-helix	trans	-58.6	-37.2	179.5	-69	165.8	0	0	0	111.5	I277 L375 S381	I277-I379 HydrophobicContact CD1-CG1 3.98Å; L375-I379 HydrophobicContact CD1-CD1 4.26Å; L375-I379 HydrophobicContact CD1-CG1 4.46Å; L375-I379 HydrophobicContact CG-CD1 3.96Å; L375-I379 WeakPolarHBondContact O-CG1 3.38Å; L375-I379 PolarHBondContact O-N 3.24Å; I379-S381 VanDerWaalsContact C-N 3.3Å; I379-S381 PolarHBondContact O-N 2.87Å
380	N	89.2	Confident	89.7	Confident	100 Å²	100	61 Å²	61	54%	0.535	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	14.4	179.2	-63.5	-55.9	0	0	0	113.8	Y376 A378	Y376-N380 WeakPolarHBondContact CE1-ND2 3.34Å; Y376-N380 VanDerWaalsContact CE2-ND2 3.32Å; Y376-N380 WeakPolarHBondContact CE2-ND2 3.32Å; Y376-N380 PolarHBondContact O-N 2.97Å; Y376-N380 PolarHBondContact O-ND2 2.62Å; A378-N380 PolarHBondContact O-N 3.15Å
381	S	90.3	Very high	89.5	Confident	12 Å²	12	59 Å²	59	8%	0.084	31%	0.306	C	S	.	.			trans	-99.2	153.6	-179.3	78.3	0	0	0	0	112.9	F47 Y269 R377 A378 I379	F47-S381 VanDerWaalsContact CE2-OG 3.23Å; F47-S381 WeakPolarHBondContact CE2-OG 3.45Å; F47-S381 VanDerWaalsContact CZ-OG 3.29Å; F47-S381 WeakPolarHBondContact CZ-OG 3.3Å; Y269-S381 VanDerWaalsContact OH-CB 3.29Å; Y269-S381 WeakPolarHBondContact OH-CB 3.49Å; Y269-S381 PolarHBondContact OH-OG 3.08Å; R377-S381 WeakPolarHBondContact O-CB 3.3Å; R377-S381 PolarHBondContact O-N 3.36Å; A378-S381 WeakPolarHBondContact O-CB 3.27Å; A378-S381 PolarHBondContact O-N 3.37Å; A378-S381 PolarHBondContact O-OG 3.49Å; I379-S381 VanDerWaalsContact C-N 3.3Å; I379-S381 PolarHBondContact O-N 2.87Å
382	S	91.7	Very high	89.2	Confident	68 Å²	68	65.3 Å²	65.3	48%	0.476	33%	0.33	S	S	.	.			trans	-138.3	172.4	172.7	57.3	0	0	0	0	109.7	Y269	Y269-S382 VanDerWaalsContact CE1-C 3.41Å; Y269-S382 VanDerWaalsContact CZ-O 3.31Å; Y269-S382 PolarHBondContact OH-O 3.4Å
383	L	90.6	Very high	88.8	Confident	6 Å²	6	61.9 Å²	61.9	3%	0.031	32%	0.324	C	S	.	.	S	Bend	trans	-54.5	134.7	170	-171.2	74.2	0	0	0	109.5	C42 A265 N266 Y269 S385 L387	C42-L383 HydrophobicContact CB-CD1 4.21Å; A265-L383 HydrophobicContact CB-CD2 3.85Å; N266-L383 WeakPolarHBondContact OD1-CB 3.5Å; N266-L383 WeakPolarHBondContact OD1-CD2 3.42Å; Y269-L383 HydrophobicContact CD2-CB 4.38Å; Y269-L383 HydrophobicContact CD2-CD1 3.94Å; Y269-L383 HydrophobicContact CG-CB 4.27Å; Y269-L383 HydrophobicContact CG-CD1 4.34Å; L383-S385 PolarHBondContact O-N 2.69Å; L383-L387 HydrophobicContact CD1-CD1 4.1Å; L383-L387 HydrophobicContact CD2-CB 4.41Å; L383-L387 HydrophobicContact CG-CB 4.38Å; L383-L387 HydrophobicContact CG-CD1 4.45Å
384	P	91.3	Very high	87.7	Confident	46 Å²	46	59.4 Å²	59.4	30%	0.299	31%	0.314	S	S	.	.			trans	-47.9	132	175.8	-29.7	34.1	0	0	0	112.5	S386 L387 S388	P384-S386 PolarHBondContact O-N 3.5Å; P384-L387 HydrophobicContact CB-CD1 4.05Å; P384-L387 HydrophobicContact CB-CG 4.32Å; P384-L387 HydrophobicContact CG-CD1 3.92Å; P384-L387 WeakPolarHBondContact O-CB 3.2Å; P384-L387 PolarHBondContact O-N 3.42Å; P384-L387 VanDerWaalsContact O-N 3.12Å; P384-S388 PolarHBondContact O-N 2.64Å
385	S	89.3	Confident	86.4	Confident	101 Å²	101	57.1 Å²	57.1	71%	0.706	30%	0.303	S	S	*	.	H	α-helix	trans	-60.9	-32.9	179.8	51.3	0	0	0	0	112.1	L383 L387 S388 S389	L383-S385 PolarHBondContact O-N 2.69Å; S385-L387 VanDerWaalsContact C-N 3.33Å; S385-L387 PolarHBondContact O-N 3.15Å; S385-S388 PolarHBondContact O-N 3.36Å; S385-S389 PolarHBondContact O-N 2.71Å; S385-S389 PolarHBondContact O-OG 3.28Å
386	S	88.7	Confident	85	Confident	49 Å²	49	61.8 Å²	61.8	34%	0.343	32%	0.321	S	S	.	.	H	α-helix	trans	-56.7	-42.8	174.1	58.2	0	0	0	0	112.5	P384 S389 L390	P384-S386 PolarHBondContact O-N 3.5Å; S386-S389 WeakPolarHBondContact CA-OG 3.09Å; S386-S389 PolarHBondContact O-OG 3.23Å; S386-L390 WeakPolarHBondContact O-CB 3.24Å; S386-L390 PolarHBondContact O-N 3.11Å
387	L	88.2	Confident	83.5	Confident	3 Å²	3	56.1 Å²	56.1	2%	0.016	30%	0.301	C	S	.	.	H	α-helix	trans	-67.7	-42.3	176.8	-73.6	167.2	0	0	0	111.1	C42 M76 D77 V80 L383 P384 S385 L390 I391	C42-L387 WeakPolarHBondContact SG-CD1 3.08Å; M76-L387 HydrophobicContact CB-CD1 4.46Å; M76-L387 HydrophobicContact CB-CD2 4.38Å; D77-L387 WeakPolarHBondContact OD1-CD2 3.28Å; D77-L387 VanDerWaalsContact OD1-CG 3.25Å; D77-L387 WeakPolarHBondContact OD1-CG 3.37Å; V80-L387 HydrophobicContact CB-CD2 4.02Å; V80-L387 HydrophobicContact CG2-CD2 3.56Å; L383-L387 HydrophobicContact CD1-CD1 4.1Å; L383-L387 HydrophobicContact CD2-CB 4.41Å; L383-L387 HydrophobicContact CG-CB 4.38Å; L383-L387 HydrophobicContact CG-CD1 4.45Å; P384-L387 HydrophobicContact CB-CD1 4.05Å; P384-L387 HydrophobicContact CB-CG 4.32Å; P384-L387 HydrophobicContact CG-CD1 3.92Å; P384-L387 WeakPolarHBondContact O-CB 3.2Å; P384-L387 PolarHBondContact O-N 3.42Å; P384-L387 VanDerWaalsContact O-N 3.12Å; S385-L387 VanDerWaalsContact C-N 3.33Å; S385-L387 PolarHBondContact O-N 3.15Å; L387-L390 PolarHBondContact O-N 3.01Å; L387-I391 VanDerWaalsContact O-CG1 3.26Å; L387-I391 WeakPolarHBondContact O-CG1 3.39Å; L387-I391 PolarHBondContact O-N 3.33Å
388	S	88.2	Confident	81.8	Confident	24 Å²	24	53.4 Å²	53.4	17%	0.168	30%	0.301	C	S	.	.	H	α-helix	trans	-62.4	-44.7	178.5	-64.2	0	0	0	0	111.9	P384 S385 R392	P384-S388 PolarHBondContact O-N 2.64Å; S385-S388 PolarHBondContact O-N 3.36Å; S388-R392 WeakPolarHBondContact O-CB 3Å; S388-R392 PolarHBondContact O-N 3.11Å; S388-R392 VanDerWaalsContact O-N 3.15Å
389	S	88.1	Confident	80	Confident	57 Å²	57	59.7 Å²	59.7	40%	0.399	33%	0.33	S	S	.	.	H	α-helix	trans	-64.3	-43.5	174.7	51.4	0	0	0	0	111.5	S385 S386 I391 R392 D393	S385-S389 PolarHBondContact O-N 2.71Å; S385-S389 PolarHBondContact O-OG 3.28Å; S386-S389 WeakPolarHBondContact CA-OG 3.09Å; S386-S389 PolarHBondContact O-OG 3.23Å; S389-I391 PolarHBondContact O-N 3.03Å; S389-R392 PolarHBondContact O-N 2.6Å; S389-D393 WeakPolarHBondContact O-CB 3.38Å; S389-D393 PolarHBondContact O-N 2.83Å
390	L	88.1	Confident	78.3	Confident	29 Å²	29	59.5 Å²	59.5	15%	0.152	34%	0.337	C	S	.	.	H	α-helix	trans	-60.8	-44.6	-179	-176.6	69.3	0	0	0	112.1	D77 V80 R81 S386 L387 S394	D77-L390 WeakPolarHBondContact O-CD2 3.41Å; V80-L390 HydrophobicContact CB-CD2 3.76Å; V80-L390 HydrophobicContact CG1-CB 4.47Å; V80-L390 HydrophobicContact CG1-CD2 3.53Å; V80-L390 HydrophobicContact CG1-CG 3.96Å; R81-L390 HydrophobicContact CG-CD1 3.65Å; R81-L390 HydrophobicContact CG-CD2 3.79Å; R81-L390 HydrophobicContact CG-CG 4.17Å; S386-L390 WeakPolarHBondContact O-CB 3.24Å; S386-L390 PolarHBondContact O-N 3.11Å; L387-L390 PolarHBondContact O-N 3.01Å; L390-S394 WeakPolarHBondContact O-CB 3.44Å; L390-S394 PolarHBondContact O-N 3.01Å; L390-S394 PolarHBondContact O-OG 2.72Å
391	I	85.3	Confident	76.4	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-63.6	-45.2	177	-64.5	165.4	0	0	0	110.1	L35 V80 L261 V262 A265 L387 S389 T395	L35-I391 HydrophobicContact CD1-CD1 4.38Å; L35-I391 HydrophobicContact CD1-CG1 4.43Å; L35-I391 HydrophobicContact CD1-CG2 4.13Å; L35-I391 HydrophobicContact CD2-CD1 4.2Å; L35-I391 HydrophobicContact CD2-CG1 4.41Å; V80-I391 HydrophobicContact CG1-CD1 4.33Å; V80-I391 HydrophobicContact CG1-CG1 3.48Å; V80-I391 VanDerWaalsContact CG1-CG1 3.48Å; L261-I391 HydrophobicContact CB-CG2 3.77Å; V262-I391 HydrophobicContact CG2-CB 3.8Å; V262-I391 HydrophobicContact CG2-CG2 3.57Å; A265-I391 HydrophobicContact CB-CD1 3.82Å; L387-I391 VanDerWaalsContact O-CG1 3.26Å; L387-I391 WeakPolarHBondContact O-CG1 3.39Å; L387-I391 PolarHBondContact O-N 3.33Å; S389-I391 PolarHBondContact O-N 3.03Å; I391-T395 WeakPolarHBondContact O-CG2 3.48Å; I391-T395 PolarHBondContact O-OG1 3.29Å
392	R	84.4	Confident	74.5	Confident	133 Å²	133	58.1 Å²	58.1	50%	0.502	33%	0.327	S	S	.	.	H	α-helix	trans	-64.6	-45.8	-178.3	-173.9	178.7	-73	168.4	2.4	112.3	D259 V262 S388 S389	D259-R392 IonicContact OD1-NE 3.68Å; V262-R392 HydrophobicContact CG2-CB 4.25Å; S388-R392 WeakPolarHBondContact O-CB 3Å; S388-R392 PolarHBondContact O-N 3.11Å; S388-R392 VanDerWaalsContact O-N 3.15Å; S389-R392 PolarHBondContact O-N 2.6Å
393	D	80.1	Confident	72.5	Confident	93 Å²	93	59.4 Å²	59.4	50%	0.497	33%	0.329	S	S	.	.	H	α-helix	trans	-74.3	-41.5	-175.9	-72.6	-33.8	0	0	0	112.5	S389 T395 K396	S389-D393 WeakPolarHBondContact O-CB 3.38Å; S389-D393 PolarHBondContact O-N 2.83Å; D393-T395 PolarHBondContact O-N 3.26Å; D393-T395 VanDerWaalsContact O-N 3.15Å; D393-K396 IonicContact OD1-NZ 3.5Å
394	S	68.6	Low	70.3	Confident	37 Å²	37	60.1 Å²	60.1	26%	0.259	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-6	-175.6	-52.1	0	0	0	0	113.6	C84 L390	C84-S394 VanDerWaalsContact CB-CB 3.48Å; L390-S394 WeakPolarHBondContact O-CB 3.44Å; L390-S394 PolarHBondContact O-N 3.01Å; L390-S394 PolarHBondContact O-OG 2.72Å
395	T	61.6	Low	68.3	Low	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.1	12.6	-173.7	62.6	0	0	0	0	113.8	C84 V87 R91 P258 L261 I391 D393 I397	C84-T395 HydrophobicContact CB-CG2 3.96Å; V87-T395 HydrophobicContact CG1-CG2 4.37Å; R91-T395 PolarHBondContact NH1-O 2.64Å; P258-T395 WeakPolarHBondContact CA-OG1 3.36Å; P258-T395 WeakPolarHBondContact CB-OG1 3.46Å; P258-T395 WeakPolarHBondContact CG-O 3.44Å; P258-T395 WeakPolarHBondContact CG-OG1 3.49Å; L261-T395 HydrophobicContact CD1-CG2 4.25Å; I391-T395 WeakPolarHBondContact O-CG2 3.48Å; I391-T395 PolarHBondContact O-OG1 3.29Å; D393-T395 PolarHBondContact O-N 3.26Å; D393-T395 VanDerWaalsContact O-N 3.15Å; T395-I397 PolarHBondContact O-N 3.12Å; T395-I397 VanDerWaalsContact O-N 3.14Å
396	K	61.6	Low	66	Low	149 Å²	149	60.4 Å²	60.4	65%	0.648	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-50.7	123.7	175.7	-73.8	-179	-177.3	169.1	0	110.8	D393	D393-K396 IonicContact OD1-NZ 3.5Å
397	I	57	Low	63.7	Low	40 Å²	40	61.1 Å²	61.1	21%	0.205	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-85.3	130	-172.2	-63.2	169.2	0	0	0	109.4	A257 P258 T395 Q399 Y401 L402	A257-I397 HydrophobicContact CB-CD1 4.37Å; P258-I397 VanDerWaalsContact CD-CD1 3.48Å; P258-I397 HydrophobicContact CG-CD1 4.26Å; P258-I397 HydrophobicContact CG-CG1 4.11Å; T395-I397 PolarHBondContact O-N 3.12Å; T395-I397 VanDerWaalsContact O-N 3.14Å; I397-Q399 PolarHBondContact O-N 3Å; I397-Y401 HydrophobicContact CG2-CD1 3.58Å; I397-Y401 HydrophobicContact CG2-CG 4.15Å; I397-L402 HydrophobicContact CD1-CD2 4.06Å; I397-L402 HydrophobicContact CG2-CD1 4.38Å; I397-L402 HydrophobicContact CG2-CD2 4.28Å; I397-L402 HydrophobicContact CG2-CG 3.76Å
398	P	57.4	Low	61.4	Low	78 Å²	78	63.7 Å²	63.7	51%	0.506	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-62.2	132.1	164.9	-19.9	32	0	0	0	110.6	S400 Y401	P398-S400 PolarHBondContact O-N 3.38Å; P398-Y401 WeakPolarHBondContact O-CB 3.39Å; P398-Y401 PolarHBondContact O-N 2.95Å
399	Q	50.9	Low	59	Low	133 Å²	133	68 Å²	68	62%	0.621	36%	0.358	S	S	*	.	H	α-helix	trans	-53.1	-29.9	-177.8	-160.7	72	9.3	0	0	113.5	I397 Y401 L402 N403	I397-Q399 PolarHBondContact O-N 3Å; Q399-Y401 VanDerWaalsContact C-N 3.3Å; Q399-Y401 PolarHBondContact O-N 3.18Å; Q399-L402 PolarHBondContact O-N 3.31Å; Q399-N403 PolarHBondContact O-N 2.95Å
400	S	53.3	Low	56.5	Low	90 Å²	90	72 Å²	72	63%	0.629	37%	0.365	S	S	*	.	H	α-helix	trans	-60.5	-34.4	173.9	52.4	0	0	0	0	113.5	P398 C404	P398-S400 PolarHBondContact O-N 3.38Å; S400-C404 VanDerWaalsContact O-CB 3.23Å; S400-C404 WeakPolarHBondContact O-CB 3.37Å; S400-C404 PolarHBondContact O-N 3.36Å
401	Y	49.3	Very low	53.8	Low	16 Å²	16	75.7 Å²	75.7	6%	0.063	38%	0.383	C	S	.	.	H	α-helix	trans	-73	-34.9	177.3	-175.5	-106.4	0	0	0	112.1	R91 W254 I397 P398 Q399 C404 I405	R91-Y401 HydrophobicContact CB-CD1 4.21Å; R91-Y401 HydrophobicContact CB-CD2 4.13Å; R91-Y401 HydrophobicContact CB-CE1 3.77Å; R91-Y401 HydrophobicContact CB-CE2 3.72Å; R91-Y401 HydrophobicContact CB-CG 4.36Å; R91-Y401 HydrophobicContact CG-CD1 4.34Å; R91-Y401 HydrophobicContact CG-CE1 3.52Å; R91-Y401 HydrophobicContact CG-CE2 4.17Å; R91-Y401 VanDerWaalsContact CG-CZ 3.45Å; R91-Y401 WeakPolarHBondContact CG-OH 3.28Å; R91-Y401 WeakPolarHBondContact O-CD2 3.28Å; R91-Y401 WeakPolarHBondContact O-CE2 3.47Å; W254-Y401 WeakPolarHBondContact CZ2-OH 3.35Å; W254-Y401 PolarHBondContact NE1-OH 3Å; I397-Y401 HydrophobicContact CG2-CD1 3.58Å; I397-Y401 HydrophobicContact CG2-CG 4.15Å; P398-Y401 WeakPolarHBondContact O-CB 3.39Å; P398-Y401 PolarHBondContact O-N 2.95Å; Q399-Y401 VanDerWaalsContact C-N 3.3Å; Q399-Y401 PolarHBondContact O-N 3.18Å; Y401-C404 PolarHBondContact O-N 2.94Å; Y401-I405 HydrophobicContact CD1-CD1 3.63Å; Y401-I405 HydrophobicContact CD1-CG1 4.26Å; Y401-I405 HydrophobicContact CE1-CD1 3.07Å; Y401-I405 HydrophobicContact CE1-CG1 3.93Å; Y401-I405 HydrophobicContact CE2-CD1 4.27Å; Y401-I405 HydrophobicContact CE2-CG1 4.33Å; Y401-I405 HydrophobicContact CG-CD1 4.45Å; Y401-I405 VanDerWaalsContact CZ-CD1 3.43Å; Y401-I405 WeakPolarHBondContact O-CB 3.43Å; Y401-I405 WeakPolarHBondContact O-CG1 3.46Å; Y401-I405 PolarHBondContact O-N 3.22Å
402	L	50.8	Low	51.4	Low	67 Å²	67	79.6 Å²	79.6	35%	0.351	40%	0.398	S	S	.	.	H	α-helix	trans	-65.2	-47	174.4	-74.4	170.5	0	0	0	111.5	I397 Q399 C404 I405 Q406	I397-L402 HydrophobicContact CD1-CD2 4.06Å; I397-L402 HydrophobicContact CG2-CD1 4.38Å; I397-L402 HydrophobicContact CG2-CD2 4.28Å; I397-L402 HydrophobicContact CG2-CG 3.76Å; Q399-L402 PolarHBondContact O-N 3.31Å; L402-C404 VanDerWaalsContact C-N 3.29Å; L402-C404 PolarHBondContact O-N 2.92Å; L402-I405 PolarHBondContact O-N 3.29Å; L402-Q406 WeakPolarHBondContact O-CB 3.35Å; L402-Q406 PolarHBondContact O-N 3.02Å
403	N	49.2	Very low	49	Very low	96 Å²	96	75 Å²	75	51%	0.513	39%	0.391	S	S	.	.	H	α-helix	trans	-64.1	-36.2	177.4	-67.5	-9.2	0	0	0	111.7	Q399 S407	Q399-N403 PolarHBondContact O-N 2.95Å; N403-S407 WeakPolarHBondContact O-CB 3.21Å; N403-S407 PolarHBondContact O-N 3.03Å; N403-S407 PolarHBondContact O-OG 3.08Å
404	C	45.4	Very low	46.9	Very low	20 Å²	20	73.5 Å²	73.5	14%	0.135	39%	0.388	C	S	.	.	H	α-helix	trans	-66.2	-49	174.3	-173	0	0	0	0	111.6	S400 Y401 L402 Q406 S407 H408	S400-C404 VanDerWaalsContact O-CB 3.23Å; S400-C404 WeakPolarHBondContact O-CB 3.37Å; S400-C404 PolarHBondContact O-N 3.36Å; Y401-C404 PolarHBondContact O-N 2.94Å; L402-C404 VanDerWaalsContact C-N 3.29Å; L402-C404 PolarHBondContact O-N 2.92Å; C404-Q406 VanDerWaalsContact C-N 3.28Å; C404-Q406 PolarHBondContact O-N 3.45Å; C404-S407 WeakPolarHBondContact CA-OG 3.2Å; C404-S407 PolarHBondContact O-N 3.29Å; C404-S407 PolarHBondContact O-OG 3.14Å; C404-H408 VanDerWaalsContact O-CB 3.25Å; C404-H408 WeakPolarHBondContact O-CB 3.48Å; C404-H408 PolarHBondContact O-N 2.95Å
405	I	47.9	Very low	45.2	Very low	33 Å²	33	74.1 Å²	74.1	17%	0.169	39%	0.393	C	S	.	.	H	α-helix	trans	-57.2	-42.9	174.3	-80.6	-178.5	0	0	0	111.1	W254 Y401 L402 H408 L409	W254-I405 HydrophobicContact CZ2-CD1 4.34Å; W254-I405 HydrophobicContact CZ2-CG1 3.99Å; Y401-I405 HydrophobicContact CD1-CD1 3.63Å; Y401-I405 HydrophobicContact CD1-CG1 4.26Å; Y401-I405 HydrophobicContact CE1-CD1 3.07Å; Y401-I405 HydrophobicContact CE1-CG1 3.93Å; Y401-I405 HydrophobicContact CE2-CD1 4.27Å; Y401-I405 HydrophobicContact CE2-CG1 4.33Å; Y401-I405 HydrophobicContact CG-CD1 4.45Å; Y401-I405 VanDerWaalsContact CZ-CD1 3.43Å; Y401-I405 WeakPolarHBondContact O-CB 3.43Å; Y401-I405 WeakPolarHBondContact O-CG1 3.46Å; Y401-I405 PolarHBondContact O-N 3.22Å; L402-I405 PolarHBondContact O-N 3.29Å; I405-H408 PolarHBondContact O-N 3.2Å; I405-L409 HydrophobicContact CG2-CD1 3.41Å; I405-L409 VanDerWaalsContact CG2-CD1 3.41Å; I405-L409 HydrophobicContact CG2-CG 4.22Å; I405-L409 WeakPolarHBondContact O-CB 3.17Å; I405-L409 WeakPolarHBondContact O-CG 3.14Å; I405-L409 PolarHBondContact O-N 3.06Å
406	Q	41	Very low	43.9	Very low	121 Å²	121	78.1 Å²	78.1	57%	0.565	41%	0.414	S	S	*	.	H	α-helix	trans	-70.1	-35.4	-176.1	-157.5	170.5	3.7	0	0	111.9	L402 C404	L402-Q406 WeakPolarHBondContact O-CB 3.35Å; L402-Q406 PolarHBondContact O-N 3.02Å; C404-Q406 VanDerWaalsContact C-N 3.28Å; C404-Q406 PolarHBondContact O-N 3.45Å
407	S	41.3	Very low	42.6	Very low	63 Å²	63	74.9 Å²	74.9	44%	0.441	41%	0.409	S	S	.	.	H	α-helix	trans	-77	-31.6	173.2	47.6	0	0	0	0	113.1	N403 C404 W410 M411	N403-S407 WeakPolarHBondContact O-CB 3.21Å; N403-S407 PolarHBondContact O-N 3.03Å; N403-S407 PolarHBondContact O-OG 3.08Å; C404-S407 WeakPolarHBondContact CA-OG 3.2Å; C404-S407 PolarHBondContact O-N 3.29Å; C404-S407 PolarHBondContact O-OG 3.14Å; S407-W410 VanDerWaalsContact O-CB 3.31Å; S407-W410 WeakPolarHBondContact O-CB 3.46Å; S407-W410 PolarHBondContact O-N 2.95Å; S407-M411 PolarHBondContact O-N 3.49Å; S407-M411 VanDerWaalsContact O-N 3.11Å
408	H	40.5	Very low	41.6	Very low	57 Å²	57	74 Å²	74	26%	0.264	41%	0.406	S	S	.	.	H	α-helix	trans	-89.3	-24.4	179.5	-88.5	-69.5	0	0	0	114.8	C404 I405 W410 M411 Y412	C404-H408 VanDerWaalsContact O-CB 3.25Å; C404-H408 WeakPolarHBondContact O-CB 3.48Å; C404-H408 PolarHBondContact O-N 2.95Å; I405-H408 PolarHBondContact O-N 3.2Å; H408-W410 PolarHBondContact O-N 2.81Å; H408-M411 PolarHBondContact O-N 2.74Å; H408-Y412 HydrophobicContact CB-CD2 3.83Å; H408-Y412 HydrophobicContact CB-CE2 4.19Å; H408-Y412 AromaticContact CE1-CE2 3.63Å; H408-Y412 AromaticContact CG-CD2 3.89Å; H408-Y412 AromaticContact CG-CE2 3.78Å; H408-Y412 AromaticContact ND1-CD2 3.32Å; H408-Y412 VanDerWaalsContact ND1-CD2 3.32Å; H408-Y412 WeakPolarHBondContact ND1-CD2 3.44Å; H408-Y412 AromaticContact ND1-CE2 2.97Å; H408-Y412 WeakPolarHBondContact ND1-CE2 3.09Å; H408-Y412 AromaticContact ND1-CZ 3.97Å; H408-Y412 WeakPolarHBondContact O-CA 3.05Å; H408-Y412 VanDerWaalsContact O-CB 3.23Å; H408-Y412 WeakPolarHBondContact O-CB 3.38Å; H408-Y412 WeakPolarHBondContact O-CD2 3.28Å; H408-Y412 PolarHBondContact O-N 3.37Å
409	L	37.5	Very low	40.5	Very low	115 Å²	115	74.6 Å²	74.6	60%	0.602	40%	0.403	S	S	*	.	H	α-helix	trans	-60.9	-29.3	160.9	-87.8	158.2	0	0	0	110.5	I405 G413	I405-L409 HydrophobicContact CG2-CD1 3.41Å; I405-L409 VanDerWaalsContact CG2-CD1 3.41Å; I405-L409 HydrophobicContact CG2-CG 4.22Å; I405-L409 WeakPolarHBondContact O-CB 3.17Å; I405-L409 WeakPolarHBondContact O-CG 3.14Å; I405-L409 PolarHBondContact O-N 3.06Å; L409-G413 WeakPolarHBondContact O-CA 3.49Å; L409-G413 PolarHBondContact O-N 3.39Å
410	W	35.1	Very low	39.8	Very low	140 Å²	140	71.1 Å²	71.1	53%	0.53	39%	0.394	S	S	.	.	H	α-helix	trans	-78	-35.6	176.3	-152	80.8	0	0	0	112.5	S407 H408 S414 N519 W523	S407-W410 VanDerWaalsContact O-CB 3.31Å; S407-W410 WeakPolarHBondContact O-CB 3.46Å; S407-W410 PolarHBondContact O-N 2.95Å; H408-W410 PolarHBondContact O-N 2.81Å; W410-S414 PolarHBondContact O-OG 2.88Å; W410-S414 VanDerWaalsContact O-OG 3.12Å; W410-N519 WeakPolarHBondContact CZ2-OD1 3.4Å; W410-N519 PolarHBondContact NE1-OD1 2.8Å; W410-W523 AromaticContact CD1-NE1 3.66Å; W410-W523 AromaticContact NE1-NE1 3.7Å
411	M	30.8	Very low	39.3	Very low	108 Å²	108	70 Å²	70	53%	0.532	38%	0.378	S	S	.	.	H	α-helix	trans	-85.3	-34.6	177.3	-92.9	-66.8	-44.1	0	0	114.8	S407 H408 S414	S407-M411 PolarHBondContact O-N 3.49Å; S407-M411 VanDerWaalsContact O-N 3.11Å; H408-M411 PolarHBondContact O-N 2.74Å; M411-S414 PolarHBondContact O-OG 3.12Å
412	Y	36.2	Very low	38.9	Very low	83 Å²	83	73.8 Å²	73.8	33%	0.325	40%	0.395	S	S	.	.	H	α-helix	trans	-100.9	-19.7	-179.7	-68.7	-69.5	0	0	0	112.9	L95 H408 S414 S415 L416	L95-Y412 HydrophobicContact CD2-CE2 4.12Å; L95-Y412 WeakPolarHBondContact CD2-OH 3.36Å; H408-Y412 HydrophobicContact CB-CD2 3.83Å; H408-Y412 HydrophobicContact CB-CE2 4.19Å; H408-Y412 AromaticContact CE1-CE2 3.63Å; H408-Y412 AromaticContact CG-CD2 3.89Å; H408-Y412 AromaticContact CG-CE2 3.78Å; H408-Y412 AromaticContact ND1-CD2 3.32Å; H408-Y412 VanDerWaalsContact ND1-CD2 3.32Å; H408-Y412 WeakPolarHBondContact ND1-CD2 3.44Å; H408-Y412 AromaticContact ND1-CE2 2.97Å; H408-Y412 WeakPolarHBondContact ND1-CE2 3.09Å; H408-Y412 AromaticContact ND1-CZ 3.97Å; H408-Y412 WeakPolarHBondContact O-CA 3.05Å; H408-Y412 VanDerWaalsContact O-CB 3.23Å; H408-Y412 WeakPolarHBondContact O-CB 3.38Å; H408-Y412 WeakPolarHBondContact O-CD2 3.28Å; H408-Y412 PolarHBondContact O-N 3.37Å; Y412-S414 PolarHBondContact O-N 3.41Å; Y412-S414 VanDerWaalsContact O-N 3.16Å; Y412-S415 PolarHBondContact O-N 3.46Å; Y412-L416 WeakPolarHBondContact O-CA 3.16Å; Y412-L416 WeakPolarHBondContact O-CB 3.48Å; Y412-L416 PolarHBondContact O-N 2.9Å
413	G	33.7	Very low	38.5	Very low	35 Å²	35	76.8 Å²	76.8	36%	0.361	41%	0.41	S	S	.	.	H	α-helix	trans	-59.3	-24.7	168.1	0	0	0	0	0	112.5	L409 C417	L409-G413 WeakPolarHBondContact O-CA 3.49Å; L409-G413 PolarHBondContact O-N 3.39Å; G413-C417 WeakPolarHBondContact O-CB 3.29Å; G413-C417 PolarHBondContact O-SG 2.85Å
414	S	35.9	Very low	38.3	Very low	62 Å²	62	76.2 Å²	76.2	43%	0.434	41%	0.41	S	S	.	.	H	α-helix	trans	-91.6	-38.4	172.6	34.9	0	0	0	0	112.6	W410 M411 Y412 S418	W410-S414 PolarHBondContact O-OG 2.88Å; W410-S414 VanDerWaalsContact O-OG 3.12Å; M411-S414 PolarHBondContact O-OG 3.12Å; Y412-S414 PolarHBondContact O-N 3.41Å; Y412-S414 VanDerWaalsContact O-N 3.16Å; S414-S418 WeakPolarHBondContact O-CB 3.44Å; S414-S418 PolarHBondContact O-N 3.49Å
415	S	33.5	Very low	38.3	Very low	50 Å²	50	75.3 Å²	75.3	35%	0.35	40%	0.404	S	S	.	.	H	α-helix	trans	-84.3	-35.4	-179.3	176.3	0	0	0	0	115.7	Y412 S418 M419	Y412-S415 PolarHBondContact O-N 3.46Å; S415-S418 CarbonylContact O-C 3.47Å; S415-S418 WeakPolarHBondContact O-CB 3.26Å; S415-S418 PolarHBondContact O-N 2.88Å; S415-M419 WeakPolarHBondContact O-CB 3.13Å; S415-M419 PolarHBondContact O-N 3.43Å
416	L	33.5	Very low	38.6	Very low	85 Å²	85	80.5 Å²	80.5	45%	0.445	43%	0.426	S	S	.	.	H	α-helix	trans	-75.4	-29.3	169.5	-78	161.1	0	0	0	111.4	Y412 S420	Y412-L416 WeakPolarHBondContact O-CA 3.16Å; Y412-L416 WeakPolarHBondContact O-CB 3.48Å; Y412-L416 PolarHBondContact O-N 2.9Å; L416-S420 WeakPolarHBondContact O-CA 3.43Å; L416-S420 WeakPolarHBondContact O-CB 3.41Å; L416-S420 PolarHBondContact O-N 2.86Å; L416-S420 PolarHBondContact O-OG 2.9Å
417	C	33.6	Very low	38.8	Very low	81 Å²	81	77.5 Å²	77.5	55%	0.547	42%	0.417	S	S	.	.	H	α-helix	trans	-60.7	-51.7	160.8	-92	0	0	0	0	109.1	G413 M419 S420 F421	G413-C417 WeakPolarHBondContact O-CB 3.29Å; G413-C417 PolarHBondContact O-SG 2.85Å; C417-M419 VanDerWaalsContact C-N 3.35Å; C417-M419 PolarHBondContact O-N 3Å; C417-S420 PolarHBondContact O-N 3.13Å; C417-F421 WeakPolarHBondContact O-CA 3.35Å; C417-F421 WeakPolarHBondContact O-CB 3.37Å; C417-F421 PolarHBondContact O-N 3.28Å
418	S	36.7	Very low	39.3	Very low	21 Å²	21	77.6 Å²	77.6	15%	0.147	41%	0.412	C	S	.	.	H	α-helix	trans	-56.3	-41.2	175.9	178.6	0	0	0	0	113.8	S414 S415 K422 E477	S414-S418 WeakPolarHBondContact O-CB 3.44Å; S414-S418 PolarHBondContact O-N 3.49Å; S415-S418 CarbonylContact O-C 3.47Å; S415-S418 WeakPolarHBondContact O-CB 3.26Å; S415-S418 PolarHBondContact O-N 2.88Å; S418-K422 VanDerWaalsContact O-CB 3.29Å; S418-K422 WeakPolarHBondContact O-CB 3.48Å; S418-K422 WeakPolarHBondContact O-CD 3.43Å; S418-K422 WeakPolarHBondContact O-CG 3.21Å; S418-K422 PolarHBondContact O-N 3.32Å; S418-K422 PolarHBondContact OG-NZ 2.94Å; S418-E477 WeakPolarHBondContact CB-OE1 3.45Å; S418-E477 PolarHBondContact OG-OE1 2.97Å
419	M	35.5	Very low	40.1	Very low	90 Å²	90	77.7 Å²	77.7	44%	0.443	41%	0.41	S	S	.	.	H	α-helix	trans	-79	-42	-178.7	-78.3	-84.9	68.3	0	0	113.9	S415 C417 F421 K422 L423	S415-M419 WeakPolarHBondContact O-CB 3.13Å; S415-M419 PolarHBondContact O-N 3.43Å; C417-M419 VanDerWaalsContact C-N 3.35Å; C417-M419 PolarHBondContact O-N 3Å; M419-F421 VanDerWaalsContact C-N 3.29Å; M419-K422 HydrophobicContact CE-CB 3.76Å; M419-K422 HydrophobicContact CE-CD 3.57Å; M419-K422 HydrophobicContact CE-CG 4.26Å; M419-K422 PolarHBondContact O-N 2.87Å; M419-L423 WeakPolarHBondContact O-CB 3.29Å; M419-L423 PolarHBondContact O-N 2.67Å
420	S	35.7	Very low	41.3	Very low	61 Å²	61	77.4 Å²	77.4	43%	0.427	41%	0.408	S	S	.	.	H	α-helix	trans	-67.4	-34.5	172.3	-51.2	0	0	0	0	110.3	L416 C417 K422 V424	L416-S420 WeakPolarHBondContact O-CA 3.43Å; L416-S420 WeakPolarHBondContact O-CB 3.41Å; L416-S420 PolarHBondContact O-N 2.86Å; L416-S420 PolarHBondContact O-OG 2.9Å; C417-S420 PolarHBondContact O-N 3.13Å; S420-K422 VanDerWaalsContact C-N 3.34Å; S420-V424 WeakPolarHBondContact O-CA 3.34Å; S420-V424 WeakPolarHBondContact O-CB 3.45Å; S420-V424 WeakPolarHBondContact O-CG2 3.41Å; S420-V424 PolarHBondContact O-N 3.48Å
421	F	41.9	Very low	42.2	Very low	67 Å²	67	76.6 Å²	76.6	29%	0.294	41%	0.411	S	S	.	.	H	α-helix	trans	-74.2	-21.5	172.9	-157.4	-89.7	0	0	0	112	C417 M419 G425 L470 V473	C417-F421 WeakPolarHBondContact O-CA 3.35Å; C417-F421 WeakPolarHBondContact O-CB 3.37Å; C417-F421 PolarHBondContact O-N 3.28Å; M419-F421 VanDerWaalsContact C-N 3.29Å; F421-G425 WeakPolarHBondContact O-CA 3.2Å; F421-G425 PolarHBondContact O-N 3.44Å; F421-L470 HydrophobicContact CE1-CD2 3.75Å; F421-L470 HydrophobicContact CE2-CD2 4.11Å; F421-L470 HydrophobicContact CZ-CD2 3.4Å; F421-V473 HydrophobicContact CD1-CG1 4.12Å; F421-V473 HydrophobicContact CE1-CB 4.03Å; F421-V473 HydrophobicContact CE1-CG1 3.51Å; F421-V473 HydrophobicContact CZ-CB 4.31Å; F421-V473 HydrophobicContact CZ-CG1 3.96Å; F421-V473 HydrophobicContact CZ-CG2 4.43Å
422	K	40.6	Very low	43.5	Very low	95 Å²	95	72.5 Å²	72.5	41%	0.413	39%	0.39	S	S	.	.	H	α-helix	trans	-80.7	-40.6	168.6	-78.9	165	-175.5	169.2	0	112.5	S418 M419 S420 E477	S418-K422 VanDerWaalsContact O-CB 3.29Å; S418-K422 WeakPolarHBondContact O-CB 3.48Å; S418-K422 WeakPolarHBondContact O-CD 3.43Å; S418-K422 WeakPolarHBondContact O-CG 3.21Å; S418-K422 PolarHBondContact O-N 3.32Å; S418-K422 PolarHBondContact OG-NZ 2.94Å; M419-K422 HydrophobicContact CE-CB 3.76Å; M419-K422 HydrophobicContact CE-CD 3.57Å; M419-K422 HydrophobicContact CE-CG 4.26Å; M419-K422 PolarHBondContact O-N 2.87Å; S420-K422 VanDerWaalsContact C-N 3.34Å; K422-E477 WeakPolarHBondContact CE-OE2 3.39Å; K422-E477 IonicContact NZ-OE1 3.94Å; K422-E477 IonicContact NZ-OE2 3.78Å; K422-E477 PolarHBondContact NZ-OE2 3.3Å
423	L	42.9	Very low	45	Very low	129 Å²	129	73.4 Å²	73.4	68%	0.675	40%	0.396	S	S	*	.	H	α-helix	trans	-75	-37.3	177.8	-95.9	136.1	0	0	0	113.5	M419 P427	M419-L423 WeakPolarHBondContact O-CB 3.29Å; M419-L423 PolarHBondContact O-N 2.67Å; L423-P427 WeakPolarHBondContact O-CD 3.29Å; L423-P427 WeakPolarHBondContact O-CG 3.21Å
424	V	44.6	Very low	46.3	Very low	84 Å²	84	78.1 Å²	78.1	51%	0.509	41%	0.407	S	S	.	.	H	α-helix	trans	-94.5	-32.8	177.3	-177.1	0	0	0	0	110.9	S420 F426 P427 L428	S420-V424 WeakPolarHBondContact O-CA 3.34Å; S420-V424 WeakPolarHBondContact O-CB 3.45Å; S420-V424 WeakPolarHBondContact O-CG2 3.41Å; S420-V424 PolarHBondContact O-N 3.48Å; V424-F426 VanDerWaalsContact C-N 3.34Å; V424-F426 PolarHBondContact O-N 3.16Å; V424-P427 WeakPolarHBondContact O-CD 3.34Å; V424-P427 VanDerWaalsContact O-CG 3.24Å; V424-P427 WeakPolarHBondContact O-CG 3.32Å; V424-L428 WeakPolarHBondContact O-CB 3.46Å; V424-L428 PolarHBondContact O-N 2.82Å
425	G	46.8	Very low	47.5	Very low	1 Å²	1	78.8 Å²	78.8	1%	0.01	41%	0.405	C	S	.	.	H	α-helix	trans	-71	-24.4	-178.4	0	0	0	0	0	114	F421 R429	F421-G425 WeakPolarHBondContact O-CA 3.2Å; F421-G425 PolarHBondContact O-N 3.44Å; G425-R429 WeakPolarHBondContact O-CB 3.24Å; G425-R429 WeakPolarHBondContact O-CD 3.5Å; G425-R429 WeakPolarHBondContact O-CG 3.46Å; G425-R429 PolarHBondContact O-N 2.96Å
426	F	53.7	Low	49.1	Very low	143 Å²	143	77.4 Å²	77.4	63%	0.627	39%	0.394	S	S	*	.	H	α-helix	trans	-64.2	-55.6	169.5	-178.7	-96	0	0	0	112.5	V424 L428 R429 L430	V424-F426 VanDerWaalsContact C-N 3.34Å; V424-F426 PolarHBondContact O-N 3.16Å; F426-L428 VanDerWaalsContact C-N 3.34Å; F426-L428 PolarHBondContact O-N 3Å; F426-R429 PolarHBondContact O-N 2.84Å; F426-L430 HydrophobicContact CZ-CD1 4.29Å; F426-L430 PolarHBondContact O-N 3.34Å; F426-L430 VanDerWaalsContact O-N 3.12Å
427	P	46.1	Very low	50.7	Low	57 Å²	57	79.7 Å²	79.7	37%	0.37	40%	0.397	S	S	.	.	H	α-helix	trans	-64.6	-35.4	175.1	20.3	-28.3	0	0	0	112.9	L423 V424 L430 Q431	L423-P427 WeakPolarHBondContact O-CD 3.29Å; L423-P427 WeakPolarHBondContact O-CG 3.21Å; V424-P427 WeakPolarHBondContact O-CD 3.34Å; V424-P427 VanDerWaalsContact O-CG 3.24Å; V424-P427 WeakPolarHBondContact O-CG 3.32Å; P427-L430 PolarHBondContact O-N 3.4Å; P427-Q431 WeakPolarHBondContact O-CB 3.06Å; P427-Q431 VanDerWaalsContact O-CG 3.28Å; P427-Q431 WeakPolarHBondContact O-CG 2.92Å; P427-Q431 PolarHBondContact O-N 2.92Å
428	L	51.5	Low	52	Low	65 Å²	65	78 Å²	78	34%	0.34	38%	0.384	S	S	.	.	H	α-helix	trans	-65.7	-41.4	176.9	-162.3	80.4	0	0	0	112	V424 F426 L430 Q431 I432 L470	V424-L428 WeakPolarHBondContact O-CB 3.46Å; V424-L428 PolarHBondContact O-N 2.82Å; F426-L428 VanDerWaalsContact C-N 3.34Å; F426-L428 PolarHBondContact O-N 3Å; L428-L430 VanDerWaalsContact C-N 3.34Å; L428-L430 PolarHBondContact O-N 3.45Å; L428-Q431 PolarHBondContact O-N 3.41Å; L428-I432 HydrophobicContact CD2-CD1 4.41Å; L428-I432 HydrophobicContact CG-CD1 4.04Å; L428-I432 WeakPolarHBondContact O-CB 3.05Å; L428-I432 WeakPolarHBondContact O-CG1 3.42Å; L428-I432 PolarHBondContact O-N 3.34Å; L428-L470 HydrophobicContact CD2-CD1 4.12Å; L428-L470 HydrophobicContact CD2-CD2 4.14Å
429	R	57	Low	53.3	Low	59 Å²	59	77.5 Å²	77.5	22%	0.223	38%	0.38	C	S	.	.	H	α-helix	trans	-60.9	-42.3	172.4	-80.1	172.6	-174.8	171	9.4	111.5	G425 F426 K433 L470 N474	G425-R429 WeakPolarHBondContact O-CB 3.24Å; G425-R429 WeakPolarHBondContact O-CD 3.5Å; G425-R429 WeakPolarHBondContact O-CG 3.46Å; G425-R429 PolarHBondContact O-N 2.96Å; F426-R429 PolarHBondContact O-N 2.84Å; R429-K433 WeakPolarHBondContact O-CB 3.49Å; R429-K433 WeakPolarHBondContact O-CG 3.44Å; R429-K433 PolarHBondContact O-N 3.14Å; R429-L470 HydrophobicContact CG-CB 4.1Å; R429-L470 HydrophobicContact CG-CD1 4.36Å; R429-L470 PolarHBondContact NE-O 2.9Å; R429-L470 PolarHBondContact NH2-O 2.92Å; R429-N474 PolarHBondContact NH1-ND2 2.75Å; R429-N474 PolarHBondContact NH2-OD1 3.26Å
430	L	61.5	Low	55	Low	109 Å²	109	75.6 Å²	75.6	57%	0.571	38%	0.376	S	S	*	.	H	α-helix	trans	-64.2	-42.5	177.6	-134.2	88.7	0	0	0	111.2	F426 P427 L428 F434	F426-L430 HydrophobicContact CZ-CD1 4.29Å; F426-L430 PolarHBondContact O-N 3.34Å; F426-L430 VanDerWaalsContact O-N 3.12Å; P427-L430 PolarHBondContact O-N 3.4Å; L428-L430 VanDerWaalsContact C-N 3.34Å; L428-L430 PolarHBondContact O-N 3.45Å; L430-F434 VanDerWaalsContact O-CB 3.29Å; L430-F434 WeakPolarHBondContact O-CB 3.42Å; L430-F434 PolarHBondContact O-N 3.44Å
431	Q	55.6	Low	56.6	Low	124 Å²	124	80.8 Å²	80.8	58%	0.579	39%	0.386	S	S	*	.	H	α-helix	trans	-65.6	-45.1	177.9	-76	173.8	-22.9	0	0	112.3	P427 L428 F434 L435	P427-Q431 WeakPolarHBondContact O-CB 3.06Å; P427-Q431 VanDerWaalsContact O-CG 3.28Å; P427-Q431 WeakPolarHBondContact O-CG 2.92Å; P427-Q431 PolarHBondContact O-N 2.92Å; L428-Q431 PolarHBondContact O-N 3.41Å; Q431-F434 PolarHBondContact O-N 3.29Å; Q431-L435 VanDerWaalsContact O-CB 3.29Å; Q431-L435 WeakPolarHBondContact O-CB 3.21Å; Q431-L435 PolarHBondContact O-N 2.8Å
432	I	58.2	Low	57.5	Low	21 Å²	21	84.8 Å²	84.8	11%	0.108	40%	0.4	C	S	.	.	H	α-helix	trans	-65.9	-43.3	177.6	-73	163.5	0	0	0	110.8	L428 F434 L435 I436 Q467 L470	L428-I432 HydrophobicContact CD2-CD1 4.41Å; L428-I432 HydrophobicContact CG-CD1 4.04Å; L428-I432 WeakPolarHBondContact O-CB 3.05Å; L428-I432 WeakPolarHBondContact O-CG1 3.42Å; L428-I432 PolarHBondContact O-N 3.34Å; I432-F434 VanDerWaalsContact C-N 3.34Å; I432-F434 PolarHBondContact O-N 2.69Å; I432-L435 PolarHBondContact O-N 3.19Å; I432-I436 HydrophobicContact CG2-CD1 3.81Å; I432-I436 HydrophobicContact CG2-CG1 4.42Å; I432-I436 WeakPolarHBondContact O-CB 3.47Å; I432-I436 VanDerWaalsContact O-CG1 3.26Å; I432-I436 WeakPolarHBondContact O-CG1 3.29Å; I432-I436 PolarHBondContact O-N 3.39Å; I432-Q467 HydrophobicContact CG2-CB 3.98Å; I432-L470 HydrophobicContact CD1-CD1 3.21Å
433	K	65.7	Low	58.7	Low	102 Å²	102	81.7 Å²	81.7	44%	0.443	39%	0.389	S	S	.	.	H	α-helix	trans	-60.7	-42	174.1	-76.4	-174.4	177.3	-170.5	0	112.4	R429 Y437 E471	R429-K433 WeakPolarHBondContact O-CB 3.49Å; R429-K433 WeakPolarHBondContact O-CG 3.44Å; R429-K433 PolarHBondContact O-N 3.14Å; K433-Y437 WeakPolarHBondContact O-CB 3.47Å; K433-Y437 PolarHBondContact O-N 3.48Å; K433-E471 WeakPolarHBondContact CE-OE1 3.04Å; K433-E471 IonicContact NZ-OE1 2.73Å; K433-E471 PolarHBondContact NZ-OE1 2.88Å
434	F	62.1	Low	59.7	Low	135 Å²	135	78 Å²	78	59%	0.592	38%	0.382	S	S	*	.	H	α-helix	trans	-64.2	-43	175.3	-178.7	-100.2	0	0	0	111.8	L430 Q431 I432 Y437 V438	L430-F434 VanDerWaalsContact O-CB 3.29Å; L430-F434 WeakPolarHBondContact O-CB 3.42Å; L430-F434 PolarHBondContact O-N 3.44Å; Q431-F434 PolarHBondContact O-N 3.29Å; I432-F434 VanDerWaalsContact C-N 3.34Å; I432-F434 PolarHBondContact O-N 2.69Å; F434-Y437 WeakPolarHBondContact O-CB 2.84Å; F434-Y437 PolarHBondContact O-N 3.5Å; F434-V438 HydrophobicContact CD1-CG2 4.14Å; F434-V438 HydrophobicContact CE1-CG2 3.74Å; F434-V438 HydrophobicContact CE2-CG2 4.26Å; F434-V438 HydrophobicContact CZ-CG2 3.8Å; F434-V438 WeakPolarHBondContact O-CG2 2.92Å; F434-V438 PolarHBondContact O-N 2.85Å
435	L	61.9	Low	60.5	Low	76 Å²	76	78 Å²	78	40%	0.398	39%	0.39	S	S	.	.	H	α-helix	trans	-66.8	-40.5	179.9	-162.3	66.5	0	0	0	111.6	Q431 I432 V438 I439 L463	Q431-L435 VanDerWaalsContact O-CB 3.29Å; Q431-L435 WeakPolarHBondContact O-CB 3.21Å; Q431-L435 PolarHBondContact O-N 2.8Å; I432-L435 PolarHBondContact O-N 3.19Å; L435-V438 PolarHBondContact O-N 2.72Å; L435-I439 HydrophobicContact CD1-CD1 4.29Å; L435-I439 HydrophobicContact CG-CD1 3.83Å; L435-I439 WeakPolarHBondContact O-CB 3.38Å; L435-I439 WeakPolarHBondContact O-CG1 3.1Å; L435-I439 PolarHBondContact O-N 3.22Å; L435-L463 HydrophobicContact CB-CD1 4.2Å; L435-L463 HydrophobicContact CD2-CD1 3.55Å; L435-L463 HydrophobicContact CD2-CD2 3.62Å; L435-L463 HydrophobicContact CD2-CG 4.23Å; L435-L463 HydrophobicContact CG-CD1 3.66Å; L435-L463 HydrophobicContact CG-CD2 4.47Å
436	I	66.7	Low	61	Low	20 Å²	20	80.6 Å²	80.6	10%	0.103	40%	0.404	C	S	.	.	H	α-helix	trans	-60.1	-44.8	171.3	-70.1	168.8	0	0	0	110.7	I432 S440 L460 L463 Q467	I432-I436 HydrophobicContact CG2-CD1 3.81Å; I432-I436 HydrophobicContact CG2-CG1 4.42Å; I432-I436 WeakPolarHBondContact O-CB 3.47Å; I432-I436 VanDerWaalsContact O-CG1 3.26Å; I432-I436 WeakPolarHBondContact O-CG1 3.29Å; I432-I436 PolarHBondContact O-N 3.39Å; I436-S440 WeakPolarHBondContact O-CB 3.13Å; I436-S440 PolarHBondContact O-N 2.86Å; I436-S440 PolarHBondContact O-OG 3.29Å; I436-L460 HydrophobicContact CG2-CD1 4.11Å; I436-L463 HydrophobicContact CD1-CB 4.19Å; I436-L463 HydrophobicContact CG1-CB 3.66Å; I436-Q467 HydrophobicContact CD1-CB 3.87Å; I436-Q467 HydrophobicContact CD1-CG 4.44Å
437	Y	65.8	Low	61	Low	134 Å²	134	82.3 Å²	82.3	53%	0.525	41%	0.414	S	S	.	.	H	α-helix	trans	-61	-46.8	177.1	173.4	-96.5	0	0	0	112.1	K433 F434 R441	K433-Y437 WeakPolarHBondContact O-CB 3.47Å; K433-Y437 PolarHBondContact O-N 3.48Å; F434-Y437 WeakPolarHBondContact O-CB 2.84Å; F434-Y437 PolarHBondContact O-N 3.5Å; Y437-R441 WeakPolarHBondContact O-CB 3.36Å; Y437-R441 PolarHBondContact O-N 2.77Å; Y437-R441 PolarHBondContact OH-NH1 3Å
438	V	62.7	Low	61.3	Low	44 Å²	44	88.5 Å²	88.5	27%	0.267	44%	0.438	S	S	.	.	H	α-helix	trans	-63.1	-50.9	179	171.3	0	0	0	0	110.9	F434 L435 R441 Y442	F434-V438 HydrophobicContact CD1-CG2 4.14Å; F434-V438 HydrophobicContact CE1-CG2 3.74Å; F434-V438 HydrophobicContact CE2-CG2 4.26Å; F434-V438 HydrophobicContact CZ-CG2 3.8Å; F434-V438 WeakPolarHBondContact O-CG2 2.92Å; F434-V438 PolarHBondContact O-N 2.85Å; L435-V438 PolarHBondContact O-N 2.72Å; V438-R441 PolarHBondContact O-N 3.02Å; V438-Y442 HydrophobicContact CG1-CD2 3.97Å; V438-Y442 HydrophobicContact CG1-CE2 4.2Å; V438-Y442 WeakPolarHBondContact O-CD2 2.95Å; V438-Y442 PolarHBondContact O-N 3.06Å
439	I	63.1	Low	60.8	Low	12 Å²	12	87.7 Å²	87.7	6%	0.062	44%	0.438	C	S	.	.	H	α-helix	trans	-66.8	-40.5	-177.7	-68.3	164.3	0	0	0	110.8	L435 R441 Y442 V443 L456 L459 L460 L463	L435-I439 HydrophobicContact CD1-CD1 4.29Å; L435-I439 HydrophobicContact CG-CD1 3.83Å; L435-I439 WeakPolarHBondContact O-CB 3.38Å; L435-I439 WeakPolarHBondContact O-CG1 3.1Å; L435-I439 PolarHBondContact O-N 3.22Å; I439-R441 VanDerWaalsContact C-N 3.3Å; I439-R441 PolarHBondContact O-N 3.35Å; I439-Y442 PolarHBondContact O-N 3.44Å; I439-Y442 VanDerWaalsContact O-N 3.16Å; I439-V443 HydrophobicContact CG2-CG2 4.19Å; I439-V443 VanDerWaalsContact O-CG2 3.31Å; I439-V443 WeakPolarHBondContact O-CG2 3.42Å; I439-V443 PolarHBondContact O-N 2.93Å; I439-L456 HydrophobicContact CG2-CD2 4.05Å; I439-L459 HydrophobicContact CD1-CD2 3.49Å; I439-L459 VanDerWaalsContact CD1-CD2 3.49Å; I439-L459 HydrophobicContact CD1-CG 3.82Å; I439-L459 HydrophobicContact CG1-CD2 4.42Å; I439-L460 HydrophobicContact CB-CD1 4.47Å; I439-L460 HydrophobicContact CG2-CB 3.98Å; I439-L460 HydrophobicContact CG2-CD1 4.15Å; I439-L463 HydrophobicContact CD1-CD1 3.29Å
440	S	71.2	Confident	60.6	Low	50 Å²	50	93.6 Å²	93.6	35%	0.35	47%	0.467	S	S	.	.	H	α-helix	trans	-61.9	-38.6	176	-59.9	0	0	0	0	111.9	I436 G444 L460	I436-S440 WeakPolarHBondContact O-CB 3.13Å; I436-S440 PolarHBondContact O-N 2.86Å; I436-S440 PolarHBondContact O-OG 3.29Å; S440-G444 PolarHBondContact O-N 2.69Å; S440-L460 WeakPolarHBondContact OG-CD1 3.48Å
441	R	69	Low	60	Low	170 Å²	170	92.4 Å²	92.4	64%	0.642	46%	0.461	S	S	*	.	H	α-helix	trans	-69.2	-35.7	175.2	-166.8	-179.8	179.5	155.8	-0.4	112.3	Y437 V438 I439 A445	Y437-R441 WeakPolarHBondContact O-CB 3.36Å; Y437-R441 PolarHBondContact O-N 2.77Å; Y437-R441 PolarHBondContact OH-NH1 3Å; V438-R441 PolarHBondContact O-N 3.02Å; I439-R441 VanDerWaalsContact C-N 3.3Å; I439-R441 PolarHBondContact O-N 3.35Å; R441-A445 WeakPolarHBondContact O-CB 3.1Å; R441-A445 PolarHBondContact O-N 3.27Å
442	Y	60.1	Low	59.5	Low	150 Å²	150	88.2 Å²	88.2	59%	0.588	45%	0.451	S	S	*	.	H	α-helix	trans	-68.3	-44.9	173.7	-98.6	-90.9	0	0	0	112	V438 I439 G444 A445 L446	V438-Y442 HydrophobicContact CG1-CD2 3.97Å; V438-Y442 HydrophobicContact CG1-CE2 4.2Å; V438-Y442 WeakPolarHBondContact O-CD2 2.95Å; V438-Y442 PolarHBondContact O-N 3.06Å; I439-Y442 PolarHBondContact O-N 3.44Å; I439-Y442 VanDerWaalsContact O-N 3.16Å; Y442-G444 PolarHBondContact O-N 3.35Å; Y442-A445 PolarHBondContact O-N 2.92Å; Y442-A445 VanDerWaalsContact O-N 3.15Å; Y442-L446 HydrophobicContact CD1-CD1 4.32Å; Y442-L446 WeakPolarHBondContact O-CB 3.37Å; Y442-L446 WeakPolarHBondContact O-CD1 2.91Å; Y442-L446 WeakPolarHBondContact O-CG 3.18Å; Y442-L446 PolarHBondContact O-N 3.44Å; Y442-L446 VanDerWaalsContact O-N 3.11Å
443	V	65.8	Low	59.4	Low	31 Å²	31	88.6 Å²	88.6	19%	0.188	45%	0.454	C	S	.	.	H	α-helix	trans	-61.8	-42.6	176.6	171.6	0	0	0	0	110.9	I439 A445 L446 L456 L457	I439-V443 HydrophobicContact CG2-CG2 4.19Å; I439-V443 VanDerWaalsContact O-CG2 3.31Å; I439-V443 WeakPolarHBondContact O-CG2 3.42Å; I439-V443 PolarHBondContact O-N 2.93Å; V443-A445 VanDerWaalsContact C-N 3.27Å; V443-A445 PolarHBondContact O-N 2.85Å; V443-L446 PolarHBondContact O-N 3.25Å; V443-L456 HydrophobicContact CG2-CB 3.69Å; V443-L457 HydrophobicContact CG1-CD2 4.42Å
444	G	64.2	Low	58.8	Low	52 Å²	52	91.3 Å²	91.3	54%	0.536	46%	0.462	S	S	.	.	H	α-helix	trans	-68.7	-20.4	175.5	0	0	0	0	0	114.7	S440 Y442	S440-G444 PolarHBondContact O-N 2.69Å; Y442-G444 PolarHBondContact O-N 3.35Å
445	A	61.4	Low	58.3	Low	82 Å²	82	88.3 Å²	88.3	68%	0.678	45%	0.45	S	S	*	.	H	α-helix	trans	-89.7	-12.8	174.5	0	0	0	0	0	113.3	R441 Y442 V443	R441-A445 WeakPolarHBondContact O-CB 3.1Å; R441-A445 PolarHBondContact O-N 3.27Å; Y442-A445 PolarHBondContact O-N 2.92Å; Y442-A445 VanDerWaalsContact O-N 3.15Å; V443-A445 VanDerWaalsContact C-N 3.27Å; V443-A445 PolarHBondContact O-N 2.85Å
446	L	57.2	Low	57.9	Low	56 Å²	56	86.6 Å²	86.6	29%	0.293	44%	0.441	S	S	.	.			trans	-104.4	28.9	-172.6	-83.2	162.7	0	0	0	113.1	Y442 V443 Q448 S449 T453 L456	Y442-L446 HydrophobicContact CD1-CD1 4.32Å; Y442-L446 WeakPolarHBondContact O-CB 3.37Å; Y442-L446 WeakPolarHBondContact O-CD1 2.91Å; Y442-L446 WeakPolarHBondContact O-CG 3.18Å; Y442-L446 PolarHBondContact O-N 3.44Å; Y442-L446 VanDerWaalsContact O-N 3.11Å; V443-L446 PolarHBondContact O-N 3.25Å; L446-Q448 PolarHBondContact O-N 2.69Å; L446-S449 PolarHBondContact O-N 3.28Å; L446-T453 HydrophobicContact CB-CG2 4.16Å; L446-L456 HydrophobicContact CD1-CD1 3.56Å
447	E	54.7	Low	57.8	Low	179 Å²	179	89.2 Å²	89.2	84%	0.836	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	3.2	-177.9	-89.8	-175.2	158.6	0	0	116.4
448	Q	50.9	Low	57.6	Low	188 Å²	188	86.1 Å²	86.1	88%	0.879	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.5	8.8	-173.6	-70.9	-178.7	-14.7	0	0	117	L446	L446-Q448 PolarHBondContact O-N 2.69Å
449	S	42.5	Very low	57.3	Low	48 Å²	48	87.5 Å²	87.5	34%	0.336	46%	0.459	S	S	.	.			trans	-123.2	107.9	178.7	66.1	0	0	0	0	113.1	L446 I451 T453	L446-S449 PolarHBondContact O-N 3.28Å; S449-I451 VanDerWaalsContact C-N 3.32Å; S449-I451 PolarHBondContact O-N 2.9Å; S449-T453 VanDerWaalsContact O-CG2 3.3Å; S449-T453 WeakPolarHBondContact O-CG2 3.43Å; S449-T453 PolarHBondContact O-OG1 2.95Å
450	H	53.2	Low	57.5	Low	182 Å²	182	87.4 Å²	87.4	84%	0.843	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-15.7	-170.3	-85.9	-79.1	0	0	0	116.7
451	I	47.6	Very low	57.3	Low	85 Å²	85	89.2 Å²	89.2	44%	0.436	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-35.9	-173.2	-63.6	160.3	0	0	0	111.9	S449 L549	S449-I451 VanDerWaalsContact C-N 3.32Å; S449-I451 PolarHBondContact O-N 2.9Å; I451-L549 HydrophobicContact CG2-CD1 4.41Å
452	G	46.1	Very low	57	Low	35 Å²	35	86.3 Å²	86.3	36%	0.361	46%	0.46	S	S	.	.	H	α-helix	trans	-75.8	-27.3	177.9	0	0	0	0	0	113.9	L456	G452-L456 WeakPolarHBondContact O-CD1 3.46Å; G452-L456 WeakPolarHBondContact O-CG 3.49Å; G452-L456 PolarHBondContact O-N 3.26Å
453	T	55.6	Low	57.1	Low	29 Å²	29	80 Å²	80	18%	0.178	44%	0.437	C	S	.	.	H	α-helix	trans	-70.3	-34.5	-179.7	44.8	0	0	0	0	112.7	L446 S449 L456 L457	L446-T453 HydrophobicContact CB-CG2 4.16Å; S449-T453 VanDerWaalsContact O-CG2 3.3Å; S449-T453 WeakPolarHBondContact O-CG2 3.43Å; S449-T453 PolarHBondContact O-OG1 2.95Å; T453-L456 PolarHBondContact O-N 3.34Å; T453-L457 VanDerWaalsContact O-CB 3.29Å; T453-L457 WeakPolarHBondContact O-CB 3.28Å; T453-L457 WeakPolarHBondContact O-CD1 3.42Å; T453-L457 WeakPolarHBondContact O-CG 3.41Å; T453-L457 PolarHBondContact O-N 2.99Å
454	Y	54.1	Low	57.3	Low	159 Å²	159	83.2 Å²	83.2	62%	0.624	45%	0.448	S	S	*	.	H	α-helix	trans	-64.2	-45.7	-179.6	-175.7	-98.5	0	0	0	112.9	L457 S458	Y454-L457 PolarHBondContact O-N 2.9Å; Y454-S458 WeakPolarHBondContact O-CB 3.19Å; Y454-S458 PolarHBondContact O-N 3.37Å
455	H	50.1	Low	57.5	Low	72 Å²	72	86.6 Å²	86.6	33%	0.333	45%	0.45	S	S	.	.	H	α-helix	trans	-67.9	-37.4	177	-69.6	-63.3	0	0	0	112.6	L459	H455-L459 VanDerWaalsContact O-CB 3.29Å; H455-L459 WeakPolarHBondContact O-CB 3.4Å; H455-L459 PolarHBondContact O-N 3.42Å
456	L	53.5	Low	57.3	Low	40 Å²	40	84.4 Å²	84.4	21%	0.209	43%	0.43	C	S	.	.	H	α-helix	trans	-67.9	-35.5	174.9	-77.8	163.3	0	0	0	112.1	I439 V443 L446 G452 T453 L460	I439-L456 HydrophobicContact CG2-CD2 4.05Å; V443-L456 HydrophobicContact CG2-CB 3.69Å; L446-L456 HydrophobicContact CD1-CD1 3.56Å; G452-L456 WeakPolarHBondContact O-CD1 3.46Å; G452-L456 WeakPolarHBondContact O-CG 3.49Å; G452-L456 PolarHBondContact O-N 3.26Å; T453-L456 PolarHBondContact O-N 3.34Å; L456-L460 WeakPolarHBondContact O-CB 3.49Å; L456-L460 PolarHBondContact O-N 3.43Å
457	L	64.8	Low	57.8	Low	76 Å²	76	83.9 Å²	83.9	40%	0.398	43%	0.426	S	S	.	.	H	α-helix	trans	-67.7	-46.1	173.6	-79.1	159.9	0	0	0	111.7	V443 T453 Y454 L459 L460 D461	V443-L457 HydrophobicContact CG1-CD2 4.42Å; T453-L457 VanDerWaalsContact O-CB 3.29Å; T453-L457 WeakPolarHBondContact O-CB 3.28Å; T453-L457 WeakPolarHBondContact O-CD1 3.42Å; T453-L457 WeakPolarHBondContact O-CG 3.41Å; T453-L457 PolarHBondContact O-N 2.99Å; Y454-L457 PolarHBondContact O-N 2.9Å; L457-L459 VanDerWaalsContact C-N 3.34Å; L457-L459 PolarHBondContact O-N 3.26Å; L457-L460 WeakPolarHBondContact O-CB 3.31Å; L457-L460 PolarHBondContact O-N 2.86Å; L457-L460 VanDerWaalsContact O-N 3.13Å; L457-D461 PolarHBondContact O-N 3.48Å
458	S	61.6	Low	58.7	Low	68 Å²	68	82.7 Å²	82.7	48%	0.476	41%	0.414	S	S	.	.	H	α-helix	trans	-61.5	-41.4	175.8	179	0	0	0	0	112.2	Y454 D461 L462	Y454-S458 WeakPolarHBondContact O-CB 3.19Å; Y454-S458 PolarHBondContact O-N 3.37Å; S458-D461 PolarHBondContact O-N 3.29Å; S458-L462 WeakPolarHBondContact O-CB 3.49Å; S458-L462 PolarHBondContact O-N 2.83Å
459	L	57.1	Low	59.1	Low	74 Å²	74	80.5 Å²	80.5	39%	0.387	40%	0.398	S	S	.	.	H	α-helix	trans	-65.7	-39	173.5	-175.8	65.3	0	0	0	111.8	I439 H455 L457 L462 L463	I439-L459 HydrophobicContact CD1-CD2 3.49Å; I439-L459 VanDerWaalsContact CD1-CD2 3.49Å; I439-L459 HydrophobicContact CD1-CG 3.82Å; I439-L459 HydrophobicContact CG1-CD2 4.42Å; H455-L459 VanDerWaalsContact O-CB 3.29Å; H455-L459 WeakPolarHBondContact O-CB 3.4Å; H455-L459 PolarHBondContact O-N 3.42Å; L457-L459 VanDerWaalsContact C-N 3.34Å; L457-L459 PolarHBondContact O-N 3.26Å; L459-L462 PolarHBondContact O-N 3.02Å; L459-L463 HydrophobicContact CD1-CD1 4.49Å; L459-L463 HydrophobicContact CG-CD1 4.13Å; L459-L463 WeakPolarHBondContact O-CB 3.33Å; L459-L463 WeakPolarHBondContact O-CG 3.06Å; L459-L463 PolarHBondContact O-N 3.4Å
460	L	66.6	Low	59.8	Low	10 Å²	10	78.6 Å²	78.6	5%	0.052	39%	0.385	C	S	.	.	H	α-helix	trans	-64.5	-40.8	176.6	-176.4	63.1	0	0	0	111.8	I436 I439 S440 L456 L457 L463 K464	I436-L460 HydrophobicContact CG2-CD1 4.11Å; I439-L460 HydrophobicContact CB-CD1 4.47Å; I439-L460 HydrophobicContact CG2-CB 3.98Å; I439-L460 HydrophobicContact CG2-CD1 4.15Å; S440-L460 WeakPolarHBondContact OG-CD1 3.48Å; L456-L460 WeakPolarHBondContact O-CB 3.49Å; L456-L460 PolarHBondContact O-N 3.43Å; L457-L460 WeakPolarHBondContact O-CB 3.31Å; L457-L460 PolarHBondContact O-N 2.86Å; L457-L460 VanDerWaalsContact O-N 3.13Å; L460-L463 PolarHBondContact O-N 3Å; L460-K464 HydrophobicContact CG-CD 4.35Å; L460-K464 WeakPolarHBondContact O-CB 3.4Å; L460-K464 VanDerWaalsContact O-CG 3.31Å; L460-K464 WeakPolarHBondContact O-CG 3.4Å; L460-K464 PolarHBondContact O-N 2.84Å
461	D	66.4	Low	60.3	Low	88 Å²	88	73.6 Å²	73.6	47%	0.471	36%	0.361	S	S	.	.	H	α-helix	trans	-67.2	-43.2	176.9	-72.6	-20.2	0	0	0	111.4	L457 S458 L463 K464 E465	L457-D461 PolarHBondContact O-N 3.48Å; S458-D461 PolarHBondContact O-N 3.29Å; D461-L463 VanDerWaalsContact C-N 3.28Å; D461-L463 PolarHBondContact O-N 3.33Å; D461-K464 PolarHBondContact O-N 2.91Å; D461-E465 WeakPolarHBondContact O-CB 3.35Å; D461-E465 WeakPolarHBondContact O-CG 2.97Å; D461-E465 PolarHBondContact O-N 3.41Å
462	L	64.4	Low	61.1	Low	108 Å²	108	71.2 Å²	71.2	57%	0.565	35%	0.351	S	S	*	.	H	α-helix	trans	-59.4	-39.9	173.9	-171.8	71.8	0	0	0	111.9	S458 L459 S466	S458-L462 WeakPolarHBondContact O-CB 3.49Å; S458-L462 PolarHBondContact O-N 2.83Å; L459-L462 PolarHBondContact O-N 3.02Å; L462-S466 WeakPolarHBondContact O-CB 3.32Å; L462-S466 PolarHBondContact O-N 3.44Å
463	L	61.8	Low	61.5	Low	17 Å²	17	71.4 Å²	71.4	9%	0.089	35%	0.345	C	S	.	.	H	α-helix	trans	-72	-38.6	178.4	-71.3	169.5	0	0	0	112.5	L435 I436 I439 L459 L460 D461 S466 Q467	L435-L463 HydrophobicContact CB-CD1 4.2Å; L435-L463 HydrophobicContact CD2-CD1 3.55Å; L435-L463 HydrophobicContact CD2-CD2 3.62Å; L435-L463 HydrophobicContact CD2-CG 4.23Å; L435-L463 HydrophobicContact CG-CD1 3.66Å; L435-L463 HydrophobicContact CG-CD2 4.47Å; I436-L463 HydrophobicContact CD1-CB 4.19Å; I436-L463 HydrophobicContact CG1-CB 3.66Å; I439-L463 HydrophobicContact CD1-CD1 3.29Å; L459-L463 HydrophobicContact CD1-CD1 4.49Å; L459-L463 HydrophobicContact CG-CD1 4.13Å; L459-L463 WeakPolarHBondContact O-CB 3.33Å; L459-L463 WeakPolarHBondContact O-CG 3.06Å; L459-L463 PolarHBondContact O-N 3.4Å; L460-L463 PolarHBondContact O-N 3Å; D461-L463 VanDerWaalsContact C-N 3.28Å; D461-L463 PolarHBondContact O-N 3.33Å; L463-S466 WeakPolarHBondContact CA-OG 3.48Å; L463-S466 PolarHBondContact O-N 2.72Å; L463-S466 PolarHBondContact O-OG 3.36Å; L463-Q467 PolarHBondContact O-N 2.7Å
464	K	70.4	Confident	61.3	Low	99 Å²	99	72.8 Å²	72.8	43%	0.43	35%	0.352	S	S	.	.	H	α-helix	trans	-63.4	-42.3	173.2	-76.1	172	179.4	171.6	0	111.9	L460 D461 S466 Q467 W468	L460-K464 HydrophobicContact CG-CD 4.35Å; L460-K464 WeakPolarHBondContact O-CB 3.4Å; L460-K464 VanDerWaalsContact O-CG 3.31Å; L460-K464 WeakPolarHBondContact O-CG 3.4Å; L460-K464 PolarHBondContact O-N 2.84Å; D461-K464 PolarHBondContact O-N 2.91Å; K464-S466 VanDerWaalsContact C-N 3.34Å; K464-Q467 PolarHBondContact O-N 3.39Å; K464-W468 WeakPolarHBondContact O-CB 3.23Å; K464-W468 PolarHBondContact O-N 3.16Å
465	E	67.9	Low	60.7	Low	124 Å²	124	71.5 Å²	71.5	58%	0.579	35%	0.351	S	S	*	.	H	α-helix	trans	-60.7	-43.2	172.6	-78.8	-64.6	150.7	0	0	111.4	D461 Q467 W468 Y469	D461-E465 WeakPolarHBondContact O-CB 3.35Å; D461-E465 WeakPolarHBondContact O-CG 2.97Å; D461-E465 PolarHBondContact O-N 3.41Å; E465-Q467 VanDerWaalsContact C-N 3.34Å; E465-Q467 PolarHBondContact O-N 2.7Å; E465-W468 PolarHBondContact O-N 3.22Å; E465-Y469 WeakPolarHBondContact O-CB 3.2Å; E465-Y469 PolarHBondContact O-N 3.21Å
466	S	56.7	Low	60.2	Low	36 Å²	36	72.4 Å²	72.4	25%	0.252	36%	0.362	S	S	.	.	H	α-helix	trans	-65.3	-35.8	176	79	0	0	0	0	112.8	L462 L463 K464 L470	L462-S466 WeakPolarHBondContact O-CB 3.32Å; L462-S466 PolarHBondContact O-N 3.44Å; L463-S466 WeakPolarHBondContact CA-OG 3.48Å; L463-S466 PolarHBondContact O-N 2.72Å; L463-S466 PolarHBondContact O-OG 3.36Å; K464-S466 VanDerWaalsContact C-N 3.34Å; S466-L470 WeakPolarHBondContact O-CB 3.2Å; S466-L470 WeakPolarHBondContact O-CD1 3.41Å; S466-L470 VanDerWaalsContact O-CG 3.28Å; S466-L470 WeakPolarHBondContact O-CG 3.38Å; S466-L470 PolarHBondContact O-N 3.31Å
467	Q	68.5	Low	59.5	Low	44 Å²	44	73.5 Å²	73.5	21%	0.206	37%	0.366	C	S	.	.	H	α-helix	trans	-66.7	-47.8	174	-177.3	-173.5	-15.1	0	0	110.7	I432 I436 L463 K464 E465 Y469 L470 E471	I432-Q467 HydrophobicContact CG2-CB 3.98Å; I436-Q467 HydrophobicContact CD1-CB 3.87Å; I436-Q467 HydrophobicContact CD1-CG 4.44Å; L463-Q467 PolarHBondContact O-N 2.7Å; K464-Q467 PolarHBondContact O-N 3.39Å; E465-Q467 VanDerWaalsContact C-N 3.34Å; E465-Q467 PolarHBondContact O-N 2.7Å; Q467-Y469 VanDerWaalsContact C-N 3.31Å; Q467-Y469 PolarHBondContact O-N 2.9Å; Q467-L470 PolarHBondContact O-N 2.96Å; Q467-L470 VanDerWaalsContact O-N 3.13Å; Q467-E471 HydrophobicContact CG-CG 4.36Å; Q467-E471 PolarHBondContact NE2-OE1 2.79Å; Q467-E471 WeakPolarHBondContact O-CB 3.35Å; Q467-E471 WeakPolarHBondContact O-CG 3.19Å; Q467-E471 PolarHBondContact O-N 3.49Å
468	W	72.4	Confident	58	Low	154 Å²	154	76.6 Å²	76.6	58%	0.583	38%	0.378	S	S	*	.	H	α-helix	trans	-58.4	-43.7	177.9	178.2	82.7	0	0	0	111.3	K464 E465 L470 E471 T472	K464-W468 WeakPolarHBondContact O-CB 3.23Å; K464-W468 PolarHBondContact O-N 3.16Å; E465-W468 PolarHBondContact O-N 3.22Å; W468-L470 PolarHBondContact O-N 3.3Å; W468-E471 PolarHBondContact O-N 2.73Å; W468-T472 HydrophobicContact CD2-CG2 4.17Å; W468-T472 HydrophobicContact CH2-CG2 4.49Å; W468-T472 HydrophobicContact CZ2-CG2 3.85Å; W468-T472 WeakPolarHBondContact O-CB 3.4Å; W468-T472 PolarHBondContact O-N 2.96Å; W468-T472 PolarHBondContact O-OG1 2.67Å
469	Y	58.9	Low	56.5	Low	142 Å²	142	77.8 Å²	77.8	56%	0.557	38%	0.383	S	S	*	.	H	α-helix	trans	-61.4	-43.9	174.4	-172.4	-97.8	0	0	0	112	E465 Q467 E471 T472 V473	E465-Y469 WeakPolarHBondContact O-CB 3.2Å; E465-Y469 PolarHBondContact O-N 3.21Å; Q467-Y469 VanDerWaalsContact C-N 3.31Å; Q467-Y469 PolarHBondContact O-N 2.9Å; Y469-E471 VanDerWaalsContact C-N 3.32Å; Y469-E471 PolarHBondContact O-N 2.68Å; Y469-T472 WeakPolarHBondContact CA-OG1 3.41Å; Y469-T472 PolarHBondContact O-OG1 3.26Å; Y469-V473 HydrophobicContact CD1-CG2 4.28Å; Y469-V473 HydrophobicContact CE1-CG2 4.04Å; Y469-V473 HydrophobicContact CE2-CG2 4.49Å; Y469-V473 WeakPolarHBondContact O-CB 3.23Å; Y469-V473 WeakPolarHBondContact O-CG2 3.1Å; Y469-V473 PolarHBondContact O-N 3.18Å; Y469-V473 VanDerWaalsContact O-N 3.17Å
470	L	57.8	Low	55.4	Low	9 Å²	9	77.5 Å²	77.5	5%	0.047	39%	0.387	C	S	.	.	H	α-helix	trans	-68.8	-27.5	178.3	-77.1	165.4	0	0	0	113.8	F421 L428 R429 I432 S466 Q467 W468	F421-L470 HydrophobicContact CE1-CD2 3.75Å; F421-L470 HydrophobicContact CE2-CD2 4.11Å; F421-L470 HydrophobicContact CZ-CD2 3.4Å; L428-L470 HydrophobicContact CD2-CD1 4.12Å; L428-L470 HydrophobicContact CD2-CD2 4.14Å; R429-L470 HydrophobicContact CG-CB 4.1Å; R429-L470 HydrophobicContact CG-CD1 4.36Å; R429-L470 PolarHBondContact NE-O 2.9Å; R429-L470 PolarHBondContact NH2-O 2.92Å; I432-L470 HydrophobicContact CD1-CD1 3.21Å; S466-L470 WeakPolarHBondContact O-CB 3.2Å; S466-L470 WeakPolarHBondContact O-CD1 3.41Å; S466-L470 VanDerWaalsContact O-CG 3.28Å; S466-L470 WeakPolarHBondContact O-CG 3.38Å; S466-L470 PolarHBondContact O-N 3.31Å; Q467-L470 PolarHBondContact O-N 2.96Å; Q467-L470 VanDerWaalsContact O-N 3.13Å; W468-L470 PolarHBondContact O-N 3.3Å
471	E	65	Low	53.7	Low	76 Å²	76	81 Å²	81	36%	0.355	41%	0.409	S	S	.	.	H	α-helix	trans	-82.2	-42.2	178	-73	177.5	167.9	0	0	111.5	K433 Q467 W468 Y469 V473 N474	K433-E471 WeakPolarHBondContact CE-OE1 3.04Å; K433-E471 IonicContact NZ-OE1 2.73Å; K433-E471 PolarHBondContact NZ-OE1 2.88Å; Q467-E471 HydrophobicContact CG-CG 4.36Å; Q467-E471 PolarHBondContact NE2-OE1 2.79Å; Q467-E471 WeakPolarHBondContact O-CB 3.35Å; Q467-E471 WeakPolarHBondContact O-CG 3.19Å; Q467-E471 PolarHBondContact O-N 3.49Å; W468-E471 PolarHBondContact O-N 2.73Å; Y469-E471 VanDerWaalsContact C-N 3.32Å; Y469-E471 PolarHBondContact O-N 2.68Å; E471-V473 PolarHBondContact O-N 3.22Å; E471-N474 WeakPolarHBondContact O-CB 3.37Å; E471-N474 PolarHBondContact O-N 2.78Å
472	T	63.1	Low	52	Low	35 Å²	35	80.2 Å²	80.2	22%	0.215	41%	0.41	C	S	.	.	H	α-helix	trans	-70.2	-30.1	178.4	44.2	0	0	0	0	114.4	W468 Y469 N474 E475 T476	W468-T472 HydrophobicContact CD2-CG2 4.17Å; W468-T472 HydrophobicContact CH2-CG2 4.49Å; W468-T472 HydrophobicContact CZ2-CG2 3.85Å; W468-T472 WeakPolarHBondContact O-CB 3.4Å; W468-T472 PolarHBondContact O-N 2.96Å; W468-T472 PolarHBondContact O-OG1 2.67Å; Y469-T472 WeakPolarHBondContact CA-OG1 3.41Å; Y469-T472 PolarHBondContact O-OG1 3.26Å; T472-N474 PolarHBondContact O-N 2.78Å; T472-E475 PolarHBondContact O-N 3.49Å; T472-T476 PolarHBondContact O-N 2.67Å; T472-T476 PolarHBondContact O-OG1 3.08Å
473	V	55.4	Low	50.5	Low	40 Å²	40	79.8 Å²	79.8	24%	0.242	41%	0.412	C	S	.	.	H	α-helix	trans	-64.2	-19.9	173.1	171.7	0	0	0	0	112	F421 Y469 E471	F421-V473 HydrophobicContact CD1-CG1 4.12Å; F421-V473 HydrophobicContact CE1-CB 4.03Å; F421-V473 HydrophobicContact CE1-CG1 3.51Å; F421-V473 HydrophobicContact CZ-CB 4.31Å; F421-V473 HydrophobicContact CZ-CG1 3.96Å; F421-V473 HydrophobicContact CZ-CG2 4.43Å; Y469-V473 HydrophobicContact CD1-CG2 4.28Å; Y469-V473 HydrophobicContact CE1-CG2 4.04Å; Y469-V473 HydrophobicContact CE2-CG2 4.49Å; Y469-V473 WeakPolarHBondContact O-CB 3.23Å; Y469-V473 WeakPolarHBondContact O-CG2 3.1Å; Y469-V473 PolarHBondContact O-N 3.18Å; Y469-V473 VanDerWaalsContact O-N 3.17Å; E471-V473 PolarHBondContact O-N 3.22Å
474	N	50.9	Low	49	Very low	58 Å²	58	84.4 Å²	84.4	31%	0.31	44%	0.436	S	S	.	.	H	α-helix	trans	-85.3	-31.4	176	-123.8	38.3	0	0	0	113.3	R429 E471 T472	R429-N474 PolarHBondContact NH1-ND2 2.75Å; R429-N474 PolarHBondContact NH2-OD1 3.26Å; E471-N474 WeakPolarHBondContact O-CB 3.37Å; E471-N474 PolarHBondContact O-N 2.78Å; T472-N474 PolarHBondContact O-N 2.78Å
475	E	40.7	Very low	47.2	Very low	131 Å²	131	84.9 Å²	84.9	61%	0.612	44%	0.444	S	S	*	.	H	α-helix	trans	-77.5	-29.5	-177.5	-68	-177.3	162.7	0	0	112.6	T472 Q478 T479	T472-E475 PolarHBondContact O-N 3.49Å; E475-Q478 PolarHBondContact O-N 2.9Å; E475-T479 PolarHBondContact O-OG1 3.36Å
476	T	39.7	Very low	45.6	Very low	92 Å²	92	87.3 Å²	87.3	56%	0.564	45%	0.452	S	S	*	.	H	α-helix	trans	-74.5	-23.8	176.8	32.6	0	0	0	0	113.4	T472 T479 S480	T472-T476 PolarHBondContact O-N 2.67Å; T472-T476 PolarHBondContact O-OG1 3.08Å; T476-T479 PolarHBondContact O-OG1 3Å; T476-S480 PolarHBondContact O-OG 3.23Å
477	E	38.9	Very low	44.4	Very low	63 Å²	63	88.6 Å²	88.6	29%	0.294	47%	0.465	S	S	.	.	H	α-helix	trans	-80.1	-28	172.8	-81	-165.8	163.2	0	0	113.2	S418 K422 S480 T481	S418-E477 WeakPolarHBondContact CB-OE1 3.45Å; S418-E477 PolarHBondContact OG-OE1 2.97Å; K422-E477 WeakPolarHBondContact CE-OE2 3.39Å; K422-E477 IonicContact NZ-OE1 3.94Å; K422-E477 IonicContact NZ-OE2 3.78Å; K422-E477 PolarHBondContact NZ-OE2 3.3Å; E477-S480 PolarHBondContact O-OG 2.91Å; E477-T481 PolarHBondContact O-N 3.42Å; E477-T481 PolarHBondContact O-OG1 2.7Å
478	Q	33.2	Very low	42.8	Very low	140 Å²	140	92.2 Å²	92.2	65%	0.654	49%	0.485	S	S	*	.	H	α-helix	trans	-75.6	-30	180	-76.1	-175	-10.2	0	0	113.1	E475 T481	E475-Q478 PolarHBondContact O-N 2.9Å; Q478-T481 PolarHBondContact O-OG1 3.42Å
479	T	32	Very low	40.8	Very low	93 Å²	93	91.9 Å²	91.9	57%	0.571	49%	0.494	S	S	*	.	H	α-helix	trans	-78.4	-31.8	178.9	26.6	0	0	0	0	112.6	E475 T476 S482 T483	E475-T479 PolarHBondContact O-OG1 3.36Å; T476-T479 PolarHBondContact O-OG1 3Å; T479-S482 PolarHBondContact O-OG 3.5Å; T479-T483 PolarHBondContact O-OG1 3.13Å
480	S	33.4	Very low	39.5	Very low	69 Å²	69	93.8 Å²	93.8	48%	0.483	51%	0.506	S	S	.	.	H	α-helix	trans	-85	-21.9	-176.8	40.2	0	0	0	0	114.2	T476 E477	T476-S480 PolarHBondContact O-OG 3.23Å; E477-S480 PolarHBondContact O-OG 2.91Å
481	T	31.3	Very low	38.2	Very low	82 Å²	82	98.5 Å²	98.5	50%	0.503	54%	0.535	S	S	.	.	H	α-helix	trans	-79.4	-24.2	174.8	37.8	0	0	0	0	113.7	E477 Q478 N485	E477-T481 PolarHBondContact O-N 3.42Å; E477-T481 PolarHBondContact O-OG1 2.7Å; Q478-T481 PolarHBondContact O-OG1 3.42Å; T481-N485 PolarHBondContact O-ND2 2.99Å
482	S	30.6	Very low	36.5	Very low	72 Å²	72	102.2 Å²	102.2	50%	0.503	56%	0.556	S	S	.	*	H	α-helix	trans	-74.3	-26.4	177.7	78.5	0	0	0	0	114	T479	T479-S482 PolarHBondContact O-OG 3.5Å
483	T	33.1	Very low	34.7	Very low	99 Å²	99	106.2 Å²	106.2	61%	0.607	58%	0.582	S	S	*	*	H	α-helix	trans	-88	-29.7	-177.6	-25.1	0	0	0	0	112.1	T479	T479-T483 PolarHBondContact O-OG1 3.13Å
484	L	29.5	Very low	33.3	Very low	114 Å²	114	113.2 Å²	113.2	60%	0.597	62%	0.615	S	S	*	*	H	α-helix	trans	-77.2	-37.6	-180	-150	78.6	0	0	0	112.2	K486 A487 I488	L484-K486 VanDerWaalsContact C-N 3.27Å; L484-K486 PolarHBondContact O-N 2.91Å; L484-A487 PolarHBondContact O-N 2.98Å; L484-I488 HydrophobicContact CD2-CD1 4.46Å; L484-I488 HydrophobicContact CG-CD1 4.24Å; L484-I488 WeakPolarHBondContact O-CG1 3.1Å; L484-I488 PolarHBondContact O-N 3.49Å
485	N	32.7	Very low	32.2	Very low	109 Å²	109	116.1 Å²	116.1	58%	0.583	64%	0.639	S	S	*	*	H	α-helix	trans	-68.7	-22.1	177.5	-71.3	-17.5	0	0	0	113.2	T481	T481-N485 PolarHBondContact O-ND2 2.99Å
486	K	34.2	Very low	31.6	Very low	175 Å²	175	117.5 Å²	117.5	76%	0.761	65%	0.65	S	S	*	*	H	α-helix	trans	-82	-17.1	173	-83.2	179.7	176.6	174.9	0	114.3	L484	L484-K486 VanDerWaalsContact C-N 3.27Å; L484-K486 PolarHBondContact O-N 2.91Å
487	A	32.2	Very low	31	Very low	63 Å²	63	120.9 Å²	120.9	52%	0.521	67%	0.665	S	S	.	*	H	α-helix	trans	-93.4	-22	-179	0	0	0	0	0	113	L484	L484-A487 PolarHBondContact O-N 2.98Å
488	I	33.4	Very low	30.4	Very low	121 Å²	121	122.1 Å²	122.1	62%	0.621	68%	0.681	S	S	*	*	H	α-helix	trans	-83.7	-24.4	-177.1	-66.7	168.6	0	0	0	112.1	L484 K490	L484-I488 HydrophobicContact CD2-CD1 4.46Å; L484-I488 HydrophobicContact CG-CD1 4.24Å; L484-I488 WeakPolarHBondContact O-CG1 3.1Å; L484-I488 PolarHBondContact O-N 3.49Å; I488-K490 PolarHBondContact O-N 3.34Å
489	D	30.3	Very low	30	Very low	146 Å²	146	122.3 Å²	122.3	78%	0.781	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	2.5	-179	-85.4	-17	0	0	0	115.7
490	K	32.9	Very low	29.9	Very low	182 Å²	182	125 Å²	125	79%	0.791	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.3	3.7	-170.2	-88	-172.2	176.8	-177.3	0	117.9	I488	I488-K490 PolarHBondContact O-N 3.34Å
491	T	29.6	Very low	29.5	Very low	109 Å²	109	131 Å²	131	67%	0.669	72%	0.72	S	S	*	*	S	Bend	trans	-143.7	84.2	-172.7	-13.2	0	0	0	0	116.2
492	I	29.6	Very low	29.2	Very low	153 Å²	153	136.8 Å²	136.8	79%	0.785	74%	0.738	S	S	*	*				87.1	136.3	130	-60.5	174.3	0	0	0	120.4
493	P	25.9	Very low	29	Very low	120 Å²	120	137.7 Å²	137.7	78%	0.779	75%	0.745	S	S	*	*			trans	-94.1	174.5	-170.5	10.5	13.8	0	0	0	114.4
494	M	25.2	Very low	28.5	Very low	186 Å²	186	139.6 Å²	139.6	92%	0.916	76%	0.76	S	S	*	*			trans	-59	137.5	-177.6	-60.3	162.2	57.7	0	0	116.1
495	S	28.4	Very low	28.2	Very low	119 Å²	119	141.6 Å²	141.6	83%	0.832	77%	0.766	S	S	*	*			trans	-171.4	137.7	133.6	59.3	0	0	0	0	112.7
496	L	27	Very low	27.7	Very low	160 Å²	160	148.1 Å²	148.1	84%	0.838	78%	0.783	S	S	*	*			trans	-61	144.9	173.1	-94.7	68.9	0	0	0	113
497	D	26.7	Very low	27.2	Very low	163 Å²	163	149 Å²	149	87%	0.872	79%	0.787	S	S	*	*				-170.1	159.5	117.2	-108.2	-19.2	0	0	0	113.6
498	S	27.1	Very low	26.8	Very low	90 Å²	90	150.9 Å²	150.9	63%	0.629	80%	0.796	S	S	*	*			trans	-81.1	169.1	-164.4	52.3	0	0	0	0	116.1
499	D	25.6	Very low	26.5	Very low	144 Å²	144	150.7 Å²	150.7	77%	0.77	80%	0.801	S	S	*	*			trans	76.5	96.3	160.6	-58.2	-40.4	0	0	0	118.6
500	T	29	Very low	26.3	Very low	149 Å²	149	151.5 Å²	151.5	91%	0.914	81%	0.805	S	S	*	*				-173.9	125.2	118.6	15.6	0	0	0	0	112.5
501	K	25.6	Very low	26.2	Very low	195 Å²	195	146.6 Å²	146.6	85%	0.848	79%	0.794	S	S	*	*			trans	-72	143.8	166.9	-97.7	172.9	176	168.8	0	110.2
502	K	24.6	Very low	26.3	Very low	203 Å²	203	147.6 Å²	147.6	88%	0.883	79%	0.79	S	S	*	*			trans	78	97.5	161	-61	173.3	178.1	-179	0	117.1
503	S	25.6	Very low	26.3	Very low	92 Å²	92	144.9 Å²	144.9	64%	0.643	78%	0.783	S	S	*	*				-163.2	133.6	122.2	67.4	0	0	0	0	110.6	H505	S503-H505 PolarHBondContact O-N 2.86Å; S503-H505 PolarHBondContact OG-CD2 2.9Å
504	C	22.6	Very low	26.5	Very low	138 Å²	138	143 Å²	143	93%	0.932	77%	0.769	S	S	*	*			trans	-63.7	112.9	164.9	-81.3	0	0	0	0	108.8
505	H	24.4	Very low	26.9	Very low	156 Å²	156	138.4 Å²	138.4	72%	0.722	75%	0.747	S	S	*	*			trans	-112.7	109.7	159.1	-85.1	-70.7	0	0	0	109.9	S503 F507	S503-H505 PolarHBondContact O-N 2.86Å; S503-H505 PolarHBondContact OG-CD2 2.9Å; H505-F507 PolarHBondContact O-N 3.21Å
506	R	21.8	Very low	27	Very low	247 Å²	247	136.2 Å²	136.2	93%	0.932	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-52.1	116.6	160.1	-81.8	175.9	-179.9	167.9	0.1	108.3
507	F	23.3	Very low	27.2	Very low	193 Å²	193	134.2 Å²	134.2	85%	0.846	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-94	120.1	155.2	-104.3	-87.2	0	0	0	108.9	H505 T509	H505-F507 PolarHBondContact O-N 3.21Å; F507-T509 PolarHBondContact O-N 3.05Å
508	S	23.6	Very low	27.4	Very low	102 Å²	102	130.3 Å²	130.3	71%	0.713	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-64.1	120.8	170.8	-179.7	0	0	0	0	109
509	T	28.4	Very low	27.7	Very low	117 Å²	117	128.3 Å²	128.3	72%	0.718	68%	0.68	S	S	*	*			trans	-119.4	104.8	164	57.3	0	0	0	0	107.9	F507 S511	F507-T509 PolarHBondContact O-N 3.05Å; T509-S511 VanDerWaalsContact C-N 3.27Å; T509-S511 PolarHBondContact O-N 2.7Å
510	N	25.1	Very low	27.9	Very low	163 Å²	163	123.8 Å²	123.8	87%	0.872	66%	0.66	S	S	*	*			trans	-54.5	91.7	162.3	-83	-20.8	0	0	0	108.7	H512	N510-H512 PolarHBondContact O-N 2.97Å
511	S	30.7	Very low	28	Very low	79 Å²	79	121.3 Å²	121.3	55%	0.552	64%	0.64	S	S	*	*			trans	-84.4	110.9	174.6	57.5	0	0	0	0	109	T509	T509-S511 VanDerWaalsContact C-N 3.27Å; T509-S511 PolarHBondContact O-N 2.7Å
512	H	31.8	Very low	28.3	Very low	130 Å²	130	118.4 Å²	118.4	60%	0.602	63%	0.628	S	S	*	*			trans	-46	139.6	173.2	-135.5	-86.2	0	0	0	110.9	N510 V514 I515	N510-H512 PolarHBondContact O-N 2.97Å; H512-V514 PolarHBondContact O-N 2.78Å; H512-I515 HydrophobicContact CB-CD1 4.36Å; H512-I515 PolarHBondContact O-N 3.3Å
513	P	30.6	Very low	28.5	Very low	96 Å²	96	116.1 Å²	116.1	62%	0.623	61%	0.613	S	S	*	*	H	α-helix	trans	-56.2	-21	-177.9	18.4	-31	0	0	0	113.7	S516 M517	P513-S516 PolarHBondContact O-OG 3.34Å; P513-M517 WeakPolarHBondContact O-CB 3.46Å; P513-M517 PolarHBondContact O-N 3.05Å; P513-M517 VanDerWaalsContact O-N 3.09Å
514	V	30.3	Very low	28.8	Very low	80 Å²	80	117.8 Å²	117.8	49%	0.485	61%	0.609	S	S	.	*	H	α-helix	trans	-71.2	-34.1	176.3	-177.6	0	0	0	0	112.2	H512 M517 I518	H512-V514 PolarHBondContact O-N 2.78Å; V514-M517 PolarHBondContact O-N 3.11Å; V514-I518 HydrophobicContact CG1-CD1 3.75Å; V514-I518 HydrophobicContact CG1-CG1 4.34Å; V514-I518 WeakPolarHBondContact O-CB 3.31Å; V514-I518 WeakPolarHBondContact O-CD1 3.26Å; V514-I518 WeakPolarHBondContact O-CG1 3.16Å; V514-I518 PolarHBondContact O-N 3.41Å
515	I	31.8	Very low	29	Very low	90 Å²	90	111.6 Å²	111.6	46%	0.462	57%	0.569	S	S	.	*	H	α-helix	trans	-76.7	-33.1	-180	-67.7	162.4	0	0	0	111.1	H512 N519	H512-I515 HydrophobicContact CB-CD1 4.36Å; H512-I515 PolarHBondContact O-N 3.3Å; I515-N519 VanDerWaalsContact O-CB 3.29Å; I515-N519 WeakPolarHBondContact O-CB 3.29Å; I515-N519 PolarHBondContact O-N 2.76Å; I515-N519 PolarHBondContact O-ND2 3Å
516	S	32.1	Very low	29.3	Very low	73 Å²	73	107.4 Å²	107.4	51%	0.51	56%	0.561	S	S	.	*	H	α-helix	trans	-72.2	-32.6	170.5	85.4	0	0	0	0	111.6	P513 S520	P513-S516 PolarHBondContact O-OG 3.34Å; S516-S520 WeakPolarHBondContact O-CB 3.47Å; S516-S520 PolarHBondContact O-N 3.39Å
517	M	30.4	Very low	29.6	Very low	119 Å²	119	101.8 Å²	101.8	59%	0.586	55%	0.55	S	S	*	.	H	α-helix	trans	-67.3	-46.4	174	-160.8	176	-154.1	0	0	111.7	P513 V514 S520 I521	P513-M517 WeakPolarHBondContact O-CB 3.46Å; P513-M517 PolarHBondContact O-N 3.05Å; P513-M517 VanDerWaalsContact O-N 3.09Å; V514-M517 PolarHBondContact O-N 3.11Å; M517-S520 CarbonylContact O-C 3.5Å; M517-S520 PolarHBondContact O-N 2.76Å; M517-S520 VanDerWaalsContact O-N 3.14Å; M517-S520 PolarHBondContact O-OG 3.48Å; M517-I521 HydrophobicContact CG-CD1 3.93Å; M517-I521 WeakPolarHBondContact O-CB 3.4Å; M517-I521 WeakPolarHBondContact O-CD1 3.43Å; M517-I521 WeakPolarHBondContact O-CG1 3.47Å; M517-I521 PolarHBondContact O-N 3.45Å
518	I	31.4	Very low	29.8	Very low	80 Å²	80	100.7 Å²	100.7	41%	0.41	54%	0.54	S	S	.	.	H	α-helix	trans	-63.7	-40.3	175.1	-69.1	166.2	0	0	0	110.8	V514 S520 I521 F522	V514-I518 HydrophobicContact CG1-CD1 3.75Å; V514-I518 HydrophobicContact CG1-CG1 4.34Å; V514-I518 WeakPolarHBondContact O-CB 3.31Å; V514-I518 WeakPolarHBondContact O-CD1 3.26Å; V514-I518 WeakPolarHBondContact O-CG1 3.16Å; V514-I518 PolarHBondContact O-N 3.41Å; I518-S520 VanDerWaalsContact C-N 3.33Å; I518-S520 PolarHBondContact O-N 3.15Å; I518-I521 CarbonylContact O-C 3.29Å; I518-I521 PolarHBondContact O-N 3.12Å; I518-F522 HydrophobicContact CG2-CD2 3.86Å; I518-F522 HydrophobicContact CG2-CE2 4.19Å; I518-F522 WeakPolarHBondContact O-CB 3.26Å; I518-F522 PolarHBondContact O-N 3.46Å
519	N	31.9	Very low	30.1	Very low	49 Å²	49	101 Å²	101	26%	0.262	53%	0.533	S	S	.	.	H	α-helix	trans	-64.2	-37.3	172.4	-85.3	-45.1	0	0	0	112.4	W410 I515 W523	W410-N519 WeakPolarHBondContact CZ2-OD1 3.4Å; W410-N519 PolarHBondContact NE1-OD1 2.8Å; I515-N519 VanDerWaalsContact O-CB 3.29Å; I515-N519 WeakPolarHBondContact O-CB 3.29Å; I515-N519 PolarHBondContact O-N 2.76Å; I515-N519 PolarHBondContact O-ND2 3Å; N519-W523 VanDerWaalsContact O-CB 3.3Å; N519-W523 WeakPolarHBondContact O-CB 3.46Å; N519-W523 PolarHBondContact O-N 2.81Å
520	S	31.9	Very low	30.2	Very low	48 Å²	48	97.7 Å²	97.7	34%	0.336	52%	0.515	S	S	.	.	H	α-helix	trans	-70.7	-30.5	173	89.6	0	0	0	0	112.4	S516 M517 I518 K524	S516-S520 WeakPolarHBondContact O-CB 3.47Å; S516-S520 PolarHBondContact O-N 3.39Å; M517-S520 CarbonylContact O-C 3.5Å; M517-S520 PolarHBondContact O-N 2.76Å; M517-S520 VanDerWaalsContact O-N 3.14Å; M517-S520 PolarHBondContact O-OG 3.48Å; I518-S520 VanDerWaalsContact C-N 3.33Å; I518-S520 PolarHBondContact O-N 3.15Å; S520-K524 VanDerWaalsContact O-CA 3.27Å; S520-K524 WeakPolarHBondContact O-CA 3.46Å; S520-K524 WeakPolarHBondContact O-CB 3.45Å; S520-K524 WeakPolarHBondContact O-CG 3.45Å; S520-K524 PolarHBondContact O-N 3.36Å
521	I	30.9	Very low	30.4	Very low	98 Å²	98	91.1 Å²	91.1	50%	0.503	49%	0.485	S	S	.	.	H	α-helix	trans	-79	-32.4	178.1	-69	161.6	0	0	0	110.8	M517 I518 G525	M517-I521 HydrophobicContact CG-CD1 3.93Å; M517-I521 WeakPolarHBondContact O-CB 3.4Å; M517-I521 WeakPolarHBondContact O-CD1 3.43Å; M517-I521 WeakPolarHBondContact O-CG1 3.47Å; M517-I521 PolarHBondContact O-N 3.45Å; I518-I521 CarbonylContact O-C 3.29Å; I518-I521 PolarHBondContact O-N 3.12Å; I521-G525 WeakPolarHBondContact O-CA 3.23Å; I521-G525 PolarHBondContact O-N 3.03Å
522	F	30.3	Very low	30.3	Very low	134 Å²	134	92.8 Å²	92.8	59%	0.588	49%	0.488	S	S	*	.	H	α-helix	trans	-77.2	-38.9	173.9	-96.6	-91.9	0	0	0	112.2	I518	I518-F522 HydrophobicContact CG2-CD2 3.86Å; I518-F522 HydrophobicContact CG2-CE2 4.19Å; I518-F522 WeakPolarHBondContact O-CB 3.26Å; I518-F522 PolarHBondContact O-N 3.46Å
523	W	30.6	Very low	30.3	Very low	154 Å²	154	90 Å²	90	58%	0.583	48%	0.476	S	S	*	.	H	α-helix	trans	-88.8	-26.4	-179.5	-75.9	99.7	0	0	0	114.6	W410 N519	W410-W523 AromaticContact CD1-NE1 3.66Å; W410-W523 AromaticContact NE1-NE1 3.7Å; N519-W523 VanDerWaalsContact O-CB 3.3Å; N519-W523 WeakPolarHBondContact O-CB 3.46Å; N519-W523 PolarHBondContact O-N 2.81Å
524	K	30.4	Very low	30.3	Very low	127 Å²	127	90 Å²	90	55%	0.552	47%	0.47	S	S	*	.	H	α-helix	trans	-95.9	-7.7	166.5	-56.9	177.8	169	176.2	0	112.7	S520 D527 R528	S520-K524 VanDerWaalsContact O-CA 3.27Å; S520-K524 WeakPolarHBondContact O-CA 3.46Å; S520-K524 WeakPolarHBondContact O-CB 3.45Å; S520-K524 WeakPolarHBondContact O-CG 3.45Å; S520-K524 PolarHBondContact O-N 3.36Å; K524-D527 CarbonylContact O-C 3.26Å; K524-D527 PolarHBondContact O-N 3.26Å; K524-R528 WeakPolarHBondContact O-CA 3.41Å; K524-R528 WeakPolarHBondContact O-CB 3.46Å; K524-R528 VanDerWaalsContact O-CG 3.28Å; K524-R528 WeakPolarHBondContact O-CG 3.25Å; K524-R528 PolarHBondContact O-N 2.91Å
525	G	27.7	Very low	30.2	Very low	8 Å²	8	95.8 Å²	95.8	8%	0.082	48%	0.484	C	S	.	.	H	α-helix	trans	-88.7	-12.1	178.1	0	0	0	0	0	114.6	I521 L529	I521-G525 WeakPolarHBondContact O-CA 3.23Å; I521-G525 PolarHBondContact O-N 3.03Å; G525-L529 WeakPolarHBondContact O-CA 3.31Å; G525-L529 WeakPolarHBondContact O-CB 3.48Å; G525-L529 VanDerWaalsContact O-CD1 3.23Å; G525-L529 WeakPolarHBondContact O-CD1 3.3Å; G525-L529 PolarHBondContact O-N 3.17Å
526	A	30.2	Very low	30.2	Very low	69 Å²	69	96.8 Å²	96.8	57%	0.57	49%	0.489	S	S	*	.	H	α-helix	trans	-67.8	-31.6	161.5	0	0	0	0	0	111.1
527	D	28	Very low	30.1	Very low	129 Å²	129	98.1 Å²	98.1	69%	0.69	49%	0.491	S	S	*	.	H	α-helix	trans	-97.4	-8	176.9	-63.6	-29.8	0	0	0	113.7	K524 S530	K524-D527 CarbonylContact O-C 3.26Å; K524-D527 PolarHBondContact O-N 3.26Å; D527-S530 VanDerWaalsContact C-OG 3.22Å; D527-S530 PolarHBondContact O-OG 2.97Å
528	R	27.4	Very low	30	Very low	169 Å²	169	96.8 Å²	96.8	64%	0.638	49%	0.493	S	S	*	.	H	α-helix	trans	-116.7	-10	173.8	-73.7	-172.2	175.1	-167	-1.1	114.1	K524 S530 G531 L532	K524-R528 WeakPolarHBondContact O-CA 3.41Å; K524-R528 WeakPolarHBondContact O-CB 3.46Å; K524-R528 VanDerWaalsContact O-CG 3.28Å; K524-R528 WeakPolarHBondContact O-CG 3.25Å; K524-R528 PolarHBondContact O-N 2.91Å; R528-S530 VanDerWaalsContact C-N 3.28Å; R528-G531 VanDerWaalsContact C-N 3.3Å; R528-G531 CarbonylContact O-C 3.58Å; R528-G531 VanDerWaalsContact O-C 3.26Å; R528-G531 VanDerWaalsContact O-CA 3.29Å; R528-G531 WeakPolarHBondContact O-CA 2.99Å; R528-G531 PolarHBondContact O-N 3.18Å; R528-G531 VanDerWaalsContact O-N 3.08Å; R528-L532 VanDerWaalsContact O-CB 3.31Å; R528-L532 WeakPolarHBondContact O-CB 3.28Å; R528-L532 PolarHBondContact O-N 2.87Å
529	L	29.2	Very low	29.9	Very low	108 Å²	108	101.1 Å²	101.1	57%	0.565	51%	0.509	S	S	*	.	H	α-helix	trans	-68.4	-37.4	162.5	-108.7	87.8	0	0	0	108.6	G525 G531 L532 I533	G525-L529 WeakPolarHBondContact O-CA 3.31Å; G525-L529 WeakPolarHBondContact O-CB 3.48Å; G525-L529 VanDerWaalsContact O-CD1 3.23Å; G525-L529 WeakPolarHBondContact O-CD1 3.3Å; G525-L529 PolarHBondContact O-N 3.17Å; L529-G531 VanDerWaalsContact C-N 3.27Å; L529-G531 PolarHBondContact O-N 3.5Å; L529-L532 PolarHBondContact O-N 3.26Å; L529-I533 HydrophobicContact CB-CD1 4.42Å; L529-I533 HydrophobicContact CD2-CD1 4.36Å; L529-I533 WeakPolarHBondContact O-CB 3.1Å; L529-I533 WeakPolarHBondContact O-CD1 3.41Å; L529-I533 WeakPolarHBondContact O-CG1 3.47Å; L529-I533 PolarHBondContact O-N 3.36Å
530	S	30.6	Very low	29.7	Very low	48 Å²	48	107.6 Å²	107.6	34%	0.336	54%	0.538	S	S	.	.	H	α-helix	trans	-55.1	-47.9	162.4	55.7	0	0	0	0	109.2	D527 R528 L532 L534	D527-S530 VanDerWaalsContact C-OG 3.22Å; D527-S530 PolarHBondContact O-OG 2.97Å; R528-S530 VanDerWaalsContact C-N 3.28Å; S530-L532 PolarHBondContact O-N 3.14Å; S530-L534 WeakPolarHBondContact O-CA 3.18Å; S530-L534 WeakPolarHBondContact O-CB 3.29Å; S530-L534 WeakPolarHBondContact O-CD1 3.39Å; S530-L534 WeakPolarHBondContact O-CG 3.36Å; S530-L534 PolarHBondContact O-N 3.16Å
531	G	29.3	Very low	29.7	Very low	25 Å²	25	111.8 Å²	111.8	26%	0.258	56%	0.556	S	S	.	*	H	α-helix	trans	-64.9	-23.6	175	0	0	0	0	0	117.5	R528 L529 R535	R528-G531 VanDerWaalsContact C-N 3.3Å; R528-G531 CarbonylContact O-C 3.58Å; R528-G531 VanDerWaalsContact O-C 3.26Å; R528-G531 VanDerWaalsContact O-CA 3.29Å; R528-G531 WeakPolarHBondContact O-CA 2.99Å; R528-G531 PolarHBondContact O-N 3.18Å; R528-G531 VanDerWaalsContact O-N 3.08Å; L529-G531 VanDerWaalsContact C-N 3.27Å; L529-G531 PolarHBondContact O-N 3.5Å; G531-R535 VanDerWaalsContact O-CB 3.26Å; G531-R535 WeakPolarHBondContact O-CB 3.27Å; G531-R535 WeakPolarHBondContact O-CG 2.92Å; G531-R535 PolarHBondContact O-N 3.48Å
532	L	29.2	Very low	29.8	Very low	115 Å²	115	109.6 Å²	109.6	60%	0.602	55%	0.548	S	S	*	.	H	α-helix	trans	-95.4	-34.1	-177.9	-135.9	133	0	0	0	110.2	R528 L529 S530 R535 L536	R528-L532 VanDerWaalsContact O-CB 3.31Å; R528-L532 WeakPolarHBondContact O-CB 3.28Å; R528-L532 PolarHBondContact O-N 2.87Å; L529-L532 PolarHBondContact O-N 3.26Å; S530-L532 PolarHBondContact O-N 3.14Å; L532-R535 PolarHBondContact O-N 2.75Å; L532-L536 WeakPolarHBondContact O-CB 3.48Å; L532-L536 WeakPolarHBondContact O-CD1 3.39Å; L532-L536 VanDerWaalsContact O-CG 3.26Å; L532-L536 WeakPolarHBondContact O-CG 3.17Å; L532-L536 PolarHBondContact O-N 2.84Å
533	I	31.6	Very low	30	Very low	70 Å²	70	106.9 Å²	106.9	36%	0.359	54%	0.542	S	S	.	.	H	α-helix	trans	-69.1	-37.4	164.8	-64	167.5	0	0	0	109.5	L529 L536 N537	L529-I533 HydrophobicContact CB-CD1 4.42Å; L529-I533 HydrophobicContact CD2-CD1 4.36Å; L529-I533 WeakPolarHBondContact O-CB 3.1Å; L529-I533 WeakPolarHBondContact O-CD1 3.41Å; L529-I533 WeakPolarHBondContact O-CG1 3.47Å; L529-I533 PolarHBondContact O-N 3.36Å; I533-L536 PolarHBondContact O-N 3.22Å; I533-N537 WeakPolarHBondContact O-CB 3.45Å; I533-N537 PolarHBondContact O-N 2.81Å; I533-N537 PolarHBondContact O-ND2 3.36Å; I533-N537 PolarHBondContact O-OD1 3.17Å
534	L	30.6	Very low	30.3	Very low	96 Å²	96	103.1 Å²	103.1	50%	0.503	55%	0.545	S	S	.	.	H	α-helix	trans	-73.2	-27.3	173.4	-73	162.9	0	0	0	113	S530 N537	S530-L534 WeakPolarHBondContact O-CA 3.18Å; S530-L534 WeakPolarHBondContact O-CB 3.29Å; S530-L534 WeakPolarHBondContact O-CD1 3.39Å; S530-L534 WeakPolarHBondContact O-CG 3.36Å; S530-L534 PolarHBondContact O-N 3.16Å; L534-N537 PolarHBondContact O-N 3.37Å
535	R	29.6	Very low	30.6	Very low	202 Å²	202	104.8 Å²	104.8	76%	0.762	56%	0.556	S	S	*	*	H	α-helix	trans	-81.3	-20.9	170.3	-82.5	178	-169.1	-166	1	113.5	G531 L532 N537 S538	G531-R535 VanDerWaalsContact O-CB 3.26Å; G531-R535 WeakPolarHBondContact O-CB 3.27Å; G531-R535 WeakPolarHBondContact O-CG 2.92Å; G531-R535 PolarHBondContact O-N 3.48Å; L532-R535 PolarHBondContact O-N 2.75Å; R535-N537 VanDerWaalsContact C-N 3.33Å; R535-S538 PolarHBondContact O-OG 3.45Å
536	L	31.4	Very low	31.1	Very low	111 Å²	111	109.8 Å²	109.8	58%	0.581	58%	0.581	S	S	*	*	H	α-helix	trans	-77.2	-25	165.7	-73.7	162.9	0	0	0	111.1	L532 I533 S538	L532-L536 WeakPolarHBondContact O-CB 3.48Å; L532-L536 WeakPolarHBondContact O-CD1 3.39Å; L532-L536 VanDerWaalsContact O-CG 3.26Å; L532-L536 WeakPolarHBondContact O-CG 3.17Å; L532-L536 PolarHBondContact O-N 2.84Å; I533-L536 PolarHBondContact O-N 3.22Å; L536-S538 VanDerWaalsContact C-N 3.3Å; L536-S538 PolarHBondContact O-N 2.79Å
537	N	30.2	Very low	31.4	Very low	102 Å²	102	107.6 Å²	107.6	55%	0.545	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.9	3.4	176.3	-70.4	-16.7	0	0	0	115	I533 L534 R535 F539	I533-N537 WeakPolarHBondContact O-CB 3.45Å; I533-N537 PolarHBondContact O-N 2.81Å; I533-N537 PolarHBondContact O-ND2 3.36Å; I533-N537 PolarHBondContact O-OD1 3.17Å; L534-N537 PolarHBondContact O-N 3.37Å; R535-N537 VanDerWaalsContact C-N 3.33Å; N537-F539 VanDerWaalsContact C-N 3.34Å
538	S	27.4	Very low	31.6	Very low	90 Å²	90	104.4 Å²	104.4	63%	0.629	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	14.7	170.8	48.5	0	0	0	0	113.7	R535 L536 E540	R535-S538 PolarHBondContact O-OG 3.45Å; L536-S538 VanDerWaalsContact C-N 3.3Å; L536-S538 PolarHBondContact O-N 2.79Å; S538-E540 PolarHBondContact O-N 3.33Å
539	F	28.9	Very low	31.9	Very low	172 Å²	172	101.7 Å²	101.7	75%	0.754	56%	0.556	S	S	*	*			trans	-79.2	98.8	160.7	-98.9	-87.3	0	0	0	108.4	N537 L541	N537-F539 VanDerWaalsContact C-N 3.34Å; F539-L541 VanDerWaalsContact C-N 3.33Å; F539-L541 PolarHBondContact O-N 3.03Å
540	E	28.9	Very low	32.2	Very low	184 Å²	184	103.9 Å²	103.9	86%	0.86	56%	0.563	S	S	*	*			trans	-54.2	102.4	160.8	-81.5	178.3	154.3	0	0	107.6	S538	S538-E540 PolarHBondContact O-N 3.33Å
541	L	31.4	Very low	32.1	Very low	137 Å²	137	109.2 Å²	109.2	72%	0.717	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-58	123.2	162.1	-86.5	146.1	0	0	0	106	F539 T543	F539-L541 VanDerWaalsContact C-N 3.33Å; F539-L541 PolarHBondContact O-N 3.03Å; L541-T543 PolarHBondContact O-N 2.9Å; L541-T543 VanDerWaalsContact O-N 3.16Å
542	P	33.2	Very low	32.1	Very low	52 Å²	52	116.6 Å²	116.6	34%	0.338	62%	0.62	S	S	.	*	P	Polyproline II helix	trans	-56.6	127.2	-178.9	22.2	-29.9	0	0	0	107.7	D546 C547	P542-D546 HydrophobicContact CB-CB 3.57Å; P542-C547 VanDerWaalsContact CB-SG 3.6Å; P542-C547 VanDerWaalsContact CG-SG 3.55Å
543	T	35.1	Very low	32	Very low	76 Å²	76	115.5 Å²	115.5	47%	0.466	62%	0.622	S	S	.	*	P	Polyproline II helix	trans	-59.6	162.6	176.7	58.6	0	0	0	0	109.4	L541 M545 D546 C547	L541-T543 PolarHBondContact O-N 2.9Å; L541-T543 VanDerWaalsContact O-N 3.16Å; T543-M545 PolarHBondContact O-N 3.38Å; T543-M545 WeakPolarHBondContact OG1-CB 3.32Å; T543-D546 WeakPolarHBondContact CB-OD2 3.18Å; T543-D546 PolarHBondContact N-OD2 3.29Å; T543-D546 WeakPolarHBondContact O-CA 3.45Å; T543-D546 PolarHBondContact O-N 3.09Å; T543-D546 PolarHBondContact OG1-N 3.46Å; T543-D546 PolarHBondContact OG1-OD2 2.93Å; T543-C547 PolarHBondContact O-N 2.84Å; T543-C547 PolarHBondContact O-SG 3.32Å
544	A	35.8	Very low	31.8	Very low	76 Å²	76	123.5 Å²	123.5	63%	0.628	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.2	-21.3	171.2	0	0	0	0	0	112.5
545	M	37.1	Very low	31.6	Very low	162 Å²	162	124.3 Å²	124.3	80%	0.798	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-37.9	172.2	-144.4	176.5	-66	0	0	112.4	T543	T543-M545 PolarHBondContact O-N 3.38Å; T543-M545 WeakPolarHBondContact OG1-CB 3.32Å
546	D	39	Very low	31.5	Very low	113 Å²	113	120.3 Å²	120.3	60%	0.604	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	-18.5	179.9	-55.8	-44.2	0	0	0	113.3	P542 T543	P542-D546 HydrophobicContact CB-CB 3.57Å; T543-D546 WeakPolarHBondContact CB-OD2 3.18Å; T543-D546 PolarHBondContact N-OD2 3.29Å; T543-D546 WeakPolarHBondContact O-CA 3.45Å; T543-D546 PolarHBondContact O-N 3.09Å; T543-D546 PolarHBondContact OG1-N 3.46Å; T543-D546 PolarHBondContact OG1-OD2 2.93Å
547	C	36.4	Very low	31.4	Very low	23 Å²	23	124.2 Å²	124.2	16%	0.155	68%	0.681	C	S	.	*	T	Hydrogen-bonded Turn	trans	-91.4	3.3	179.5	-64.5	0	0	0	0	114.4	P542 T543 L549	P542-C547 VanDerWaalsContact CB-SG 3.6Å; P542-C547 VanDerWaalsContact CG-SG 3.55Å; T543-C547 PolarHBondContact O-N 2.84Å; T543-C547 PolarHBondContact O-SG 3.32Å; C547-L549 HydrophobicContact CB-CD1 3.83Å; C547-L549 HydrophobicContact CB-CG 4.22Å; C547-L549 PolarHBondContact O-N 3.26Å; C547-L549 VanDerWaalsContact O-N 3.08Å
548	G	32.2	Very low	31.3	Very low	61 Å²	61	129.3 Å²	129.3	63%	0.629	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	58.8	23.2	-178.2	0	0	0	0	0	114	E550	G548-E550 PolarHBondContact O-N 3.26Å
549	L	33.8	Very low	31.4	Very low	112 Å²	112	130.9 Å²	130.9	59%	0.586	71%	0.71	S	S	*	*			trans	-89.4	44.6	-178.8	-79.4	162.6	0	0	0	111.1	I451 C547 L551	I451-L549 HydrophobicContact CG2-CD1 4.41Å; C547-L549 HydrophobicContact CB-CD1 3.83Å; C547-L549 HydrophobicContact CB-CG 4.22Å; C547-L549 PolarHBondContact O-N 3.26Å; C547-L549 VanDerWaalsContact O-N 3.08Å; L549-L551 PolarHBondContact O-N 3.46Å
550	E	34.2	Very low	31.3	Very low	154 Å²	154	130 Å²	130	72%	0.72	72%	0.718	S	S	*	*			trans	-85.2	55.3	165.4	-72.8	-151.5	153.5	0	0	110.9	G548	G548-E550 PolarHBondContact O-N 3.26Å
551	L	29.8	Very low	31.4	Very low	161 Å²	161	124.9 Å²	124.9	84%	0.843	71%	0.707	S	S	*	*	S	Bend	trans	-144	37.9	176.2	-85.5	176.8	0	0	0	113.1	L549	L549-L551 PolarHBondContact O-N 3.46Å
552	L	29.4	Very low	31.3	Very low	180 Å²	180	125.8 Å²	125.8	94%	0.942	71%	0.713	S	S	*	*	S	Bend	trans	-144.5	14.7	158.7	-76.2	-178.7	0	0	0	113.6
553	S	26.2	Very low	31.2	Very low	92 Å²	92	128.4 Å²	128.4	64%	0.643	73%	0.73	S	S	*	*			trans	-108.1	74.6	176.6	48.2	0	0	0	0	111
554	Y	26.9	Very low	30.9	Very low	237 Å²	237	130.7 Å²	130.7	93%	0.929	75%	0.748	S	S	*	*			trans	-130	127.6	161.1	-112.9	-92.7	0	0	0	109.8
555	S	27.7	Very low	30.4	Very low	113 Å²	113	135.3 Å²	135.3	79%	0.79	76%	0.761	S	S	*	*	S	Bend	trans	94.3	72.4	172	-153.3	0	0	0	0	118.2
556	S	27.7	Very low	30	Very low	118 Å²	118	135.1 Å²	135.1	83%	0.825	76%	0.762	S	S	*	*				168.5	79.4	116	-82.1	0	0	0	0	111.3
557	Q	27.3	Very low	29.4	Very low	194 Å²	194	137.8 Å²	137.8	91%	0.907	77%	0.771	S	S	*	*			trans	-85.5	119.7	153	-83.4	179.1	-27.7	0	0	108
558	K	28.6	Very low	28.8	Very low	209 Å²	209	143.5 Å²	143.5	91%	0.909	80%	0.797	S	S	*	*			trans	-175.4	87.7	145.6	-105	178	-175.5	-173.4	0	110.7
559	S	29.2	Very low	28.6	Very low	123 Å²	123	146.9 Å²	146.9	86%	0.86	80%	0.801	S	S	*	*			trans	167.3	101	130.1	44.5	0	0	0	0	108.5
560	V	26.9	Very low	28.3	Very low	152 Å²	152	149.2 Å²	149.2	92%	0.921	81%	0.813	S	S	*	*			trans	-115.9	121.3	168.2	167.9	0	0	0	0	105.8
561	A	30.9	Very low	28.1	Very low	78 Å²	78	150.3 Å²	150.3	65%	0.645	82%	0.824	S	S	*	*			trans	179.1	134.8	150.8	0	0	0	0	0	105.3
562	N	30.2	Very low	28	Very low	156 Å²	156	152 Å²	152	83%	0.834	83%	0.827	S	S	*	*			cis	-148.5	158.9	28.1	-111.4	-19.3	0	0	0	113.3
563	P	30.9	Very low	28.1	Very low	107 Å²	107	148.1 Å²	148.1	70%	0.695	82%	0.815	S	S	*	*			trans	-100.4	162.4	-170.3	39.8	-32.3	0	0	0	112.7
564	C	29.3	Very low	28.4	Very low	124 Å²	124	151.1 Å²	151.1	84%	0.838	82%	0.824	S	S	*	*			trans	-164.2	83.7	145.6	-104.1	0	0	0	0	110.6
565	L	24.4	Very low	28.5	Very low	173 Å²	173	146.9 Å²	146.9	91%	0.906	82%	0.815	S	S	*	*			trans	-68.8	129.7	144.8	-91.2	153.1	0	0	0	107.5
566	L	28.8	Very low	28.6	Very low	157 Å²	157	145.7 Å²	145.7	82%	0.822	81%	0.807	S	S	*	*			trans	-126.4	117.6	159.6	-83.8	172.4	0	0	0	109.7
567	H	26	Very low	28.7	Very low	169 Å²	169	148.8 Å²	148.8	78%	0.782	81%	0.809	S	S	*	*			trans	4.6	125.6	155.2	-96.5	-114.1	0	0	0	118.9
568	M	25.3	Very low	28.9	Very low	144 Å²	144	143.4 Å²	143.4	71%	0.709	80%	0.798	S	S	*	*				62.6	113.4	81.9	-81.5	-78.1	-153.1	0	0	113.8
569	N	26.4	Very low	29	Very low	132 Å²	132	141.3 Å²	141.3	71%	0.706	80%	0.796	S	S	*	*			trans	56	96.5	149.6	-55.3	-15.8	0	0	0	117.3
570	D	29	Very low	28.9	Very low	160 Å²	160	141 Å²	141	86%	0.856	79%	0.793	S	S	*	*			trans	-177.9	87.7	145.4	-87.5	-26.6	0	0	0	108.1
571	L	30.1	Very low	29	Very low	178 Å²	178	145.7 Å²	145.7	93%	0.932	79%	0.794	S	S	*	*			trans	177.7	61.1	147.1	-117.9	75.2	0	0	0	111
572	E	27.4	Very low	28.8	Very low	197 Å²	197	147.7 Å²	147.7	92%	0.921	80%	0.802	S	S	*	*			trans	-141.3	79.5	162.2	-110.1	-171.1	175	0	0	108.8
573	S	30.3	Very low	28.9	Very low	98 Å²	98	149.7 Å²	149.7	69%	0.685	80%	0.803	S	S	*	*			trans	-176	102.8	155.1	54.6	0	0	0	0	109.8
574	D	33.3	Very low	28.9	Very low	154 Å²	154	150.3 Å²	150.3	82%	0.824	81%	0.805	S	S	*	*				174.9	71.8	128.1	-83.9	-11.6	0	0	0	110.7
575	I	28.5	Very low	29.1	Very low	148 Å²	148	152.7 Å²	152.7	76%	0.759	80%	0.803	S	S	*	*				29.3	101	112.7	-60.9	178.7	0	0	0	116.3
576	S	29.5	Very low	29.5	Very low	88 Å²	88	150.9 Å²	150.9	62%	0.615	80%	0.795	S	S	*	*				95.7	148.4	117.1	83.8	0	0	0	0	122.1
577	Q	31.1	Very low	29.7	Very low	184 Å²	184	149.8 Å²	149.8	86%	0.86	79%	0.79	S	S	*	*			trans	75.2	139.2	158.3	-67.4	177.1	-8.4	0	0	116.8
578	A	29.9	Very low	30.1	Very low	81 Å²	81	148.3 Å²	148.3	67%	0.669	79%	0.788	S	S	*	*			cis	-170.7	151.5	-17.7	0	0	0	0	0	105.1
579	D	31.8	Very low	30.6	Very low	165 Å²	165	147.3 Å²	147.3	88%	0.882	80%	0.795	S	S	*	*			trans	76.4	123.6	150.6	-82.3	-28.7	0	0	0	123.6
580	C	26.8	Very low	30.7	Very low	117 Å²	117	144.1 Å²	144.1	79%	0.791	79%	0.793	S	S	*	*			trans	-64.8	143.5	165	-61.1	0	0	0	0	111.7
581	R	29.4	Very low	30.7	Very low	250 Å²	250	144.5 Å²	144.5	94%	0.943	79%	0.793	S	S	*	*				-165	134.9	125.6	-109.5	169.6	-171.7	-161.3	3.5	113.3
582	C	26.7	Very low	30.5	Very low	120 Å²	120	141.4 Å²	141.4	81%	0.811	79%	0.785	S	S	*	*			trans	-62.8	147.7	177.6	-55.2	0	0	0	0	112.9
583	K	31.9	Very low	30.5	Very low	197 Å²	197	138 Å²	138	86%	0.857	78%	0.782	S	S	*	*				178.6	118.6	110.1	-97	176.5	179.1	-175.2	0	112.3
584	V	30.2	Very low	30.4	Very low	121 Å²	121	139.5 Å²	139.5	73%	0.733	79%	0.787	S	S	*	*			trans	14.4	123.3	136.2	-150.6	0	0	0	0	117.5
585	E	33.8	Very low	30.5	Very low	173 Å²	173	137.5 Å²	137.5	81%	0.808	78%	0.782	S	S	*	*				173.2	117.9	103.9	-89.3	-177.4	179.1	0	0	112.2
586	N	32.5	Very low	30.4	Very low	135 Å²	135	134.9 Å²	134.9	72%	0.722	78%	0.777	S	S	*	*			trans	33.9	115.9	132.4	-70.9	-3	0	0	0	119.9
587	N	35	Very low	30.4	Very low	135 Å²	135	137.8 Å²	137.8	72%	0.722	79%	0.786	S	S	*	*				166.9	131.6	91.5	-96.8	-15.8	0	0	0	112.5
588	D	33.4	Very low	30.4	Very low	138 Å²	138	133.8 Å²	133.8	74%	0.738	78%	0.778	S	S	*	*			trans	48.5	136.8	134.1	-69.8	-22.8	0	0	0	124
589	S	34.8	Very low	30.4	Very low	123 Å²	123	135.8 Å²	135.8	86%	0.86	78%	0.782	S	S	*	*			trans	73.1	135.7	153.5	74.7	0	0	0	0	115.7
590	G	29.8	Very low	30.4	Very low	64 Å²	64	134.4 Å²	134.4	66%	0.66	77%	0.773	S	S	*	*			cis	158	138	8.6	0	0	0	0	0	107.2
591	I	29.3	Very low	30.7	Very low	168 Å²	168	135.6 Å²	135.6	86%	0.862	77%	0.767	S	S	*	*			trans	77.3	114.5	148.6	-52.2	172	0	0	0	118.5
592	C	24.7	Very low	31	Very low	113 Å²	113	128.7 Å²	128.7	76%	0.764	75%	0.749	S	S	*	*			trans	-3.6	136.2	146.2	-58.6	0	0	0	0	119.7
593	C	28.4	Very low	31.4	Very low	127 Å²	127	131.3 Å²	131.3	86%	0.858	75%	0.747	S	S	*	*				171.8	138.4	101.3	-91.2	0	0	0	0	112
594	T	27.8	Very low	31.2	Very low	129 Å²	129	130 Å²	130	79%	0.791	74%	0.742	S	S	*	*			trans	-56.6	-175.7	168.8	49.9	0	0	0	0	114.6
595	P	35.2	Very low	31.3	Very low	111 Å²	111	130.2 Å²	130.2	72%	0.721	74%	0.738	S	S	*	*				-134.6	-166.4	-52.2	38.9	-20.7	0	0	0	111.9
596	S	26.9	Very low	31.2	Very low	93 Å²	93	128.1 Å²	128.1	65%	0.65	73%	0.732	S	S	*	*			trans	106.3	137.2	148.2	76.8	0	0	0	0	120.4
597	N	28.5	Very low	31.1	Very low	150 Å²	150	126.6 Å²	126.6	80%	0.802	73%	0.727	S	S	*	*			trans	74.9	138	158.4	-61.1	-18.9	0	0	0	115.5
598	S	30.9	Very low	31.1	Very low	100 Å²	100	125.9 Å²	125.9	70%	0.699	72%	0.724	S	S	*	*			cis	174.8	136	23	36.5	0	0	0	0	104.4
599	V	30	Very low	30.9	Very low	122 Å²	122	125.6 Å²	125.6	74%	0.739	72%	0.722	S	S	*	*				125.3	152.4	78.9	150.7	0	0	0	0	110.5
600	L	32.7	Very low	30.9	Very low	136 Å²	136	125.6 Å²	125.6	71%	0.712	72%	0.716	S	S	*	*			trans	78.3	136.1	163.4	-73.2	148.1	0	0	0	118.2
601	E	33.6	Very low	30.8	Very low	142 Å²	142	129.5 Å²	129.5	66%	0.664	72%	0.722	S	S	*	*			cis	-179.3	159.4	-10.1	-140.1	-178.5	-162.7	0	0	109.4
602	N	34.9	Very low	30.9	Very low	105 Å²	105	127.4 Å²	127.4	56%	0.561	71%	0.712	S	S	*	*			trans	74.2	137.3	148.7	-69.6	-29.3	0	0	0	119.8
603	K	34.2	Very low	31	Very low	175 Å²	175	128.6 Å²	128.6	76%	0.761	71%	0.71	S	S	*	*			cis	-164.5	133.5	19.9	-117	166	179.6	179.5	0	108.5
604	F	29.3	Very low	31.2	Very low	170 Å²	170	127.6 Å²	127.6	75%	0.746	71%	0.705	S	S	*	*				67.5	129.2	101.1	-86.1	-113.3	0	0	0	114.2
605	L	31.8	Very low	31.5	Very low	125 Å²	125	125.9 Å²	125.9	65%	0.654	70%	0.698	S	S	*	*			cis	-172.4	154	26.3	-95.9	158.7	0	0	0	113
606	L	30.7	Very low	31.4	Very low	130 Å²	130	127.2 Å²	127.2	68%	0.681	70%	0.704	S	S	*	*			trans	66.1	113.5	133.3	-70.6	166	0	0	0	120.5
607	T	31.8	Very low	31.9	Very low	102 Å²	102	127.8 Å²	127.8	63%	0.626	71%	0.706	S	S	*	*				107.7	148.2	81.9	43.9	0	0	0	0	110.2
608	D	34.5	Very low	32.1	Very low	121 Å²	121	131.5 Å²	131.5	65%	0.647	71%	0.71	S	S	*	*			cis	-164	150.4	17.6	-108.3	-29.9	0	0	0	108.4
609	N	30.2	Very low	32.1	Very low	131 Å²	131	130.7 Å²	130.7	70%	0.701	71%	0.705	S	S	*	*			trans	44.6	141.2	135	-47.6	-36.9	0	0	0	120
610	V	33.2	Very low	32.2	Very low	123 Å²	123	133 Å²	133	75%	0.745	71%	0.707	S	S	*	*				-170.6	117.1	53.4	171.8	0	0	0	0	108.8
611	N	29.1	Very low	32.2	Very low	146 Å²	146	138.9 Å²	138.9	78%	0.781	73%	0.728	S	S	*	*				44.2	142.1	112.4	-126	10.1	0	0	0	124.5
612	I	30.1	Very low	32.2	Very low	125 Å²	125	138.8 Å²	138.8	64%	0.641	73%	0.731	S	S	*	*			trans	115.3	104.8	140.3	-61.3	154.3	0	0	0	118.2
613	D	27.6	Very low	32	Very low	138 Å²	138	140.5 Å²	140.5	74%	0.738	74%	0.74	S	S	*	*			trans	34.1	129.8	131.5	-54.5	-34.4	0	0	0	120.5
614	S	31.9	Very low	31.9	Very low	106 Å²	106	138.6 Å²	138.6	74%	0.741	74%	0.738	S	S	*	*				166.4	141.3	90.9	48.2	0	0	0	0	113.3
615	S	33.9	Very low	32	Very low	93 Å²	93	136.8 Å²	136.8	65%	0.65	74%	0.738	S	S	*	*			trans	70.2	102.3	141.5	64.2	0	0	0	0	121
616	T	33.4	Very low	32.1	Very low	138 Å²	138	137.5 Å²	137.5	85%	0.847	74%	0.743	S	S	*	*				92.5	144.9	117.8	49.5	0	0	0	0	122.4
617	P	37.7	Very low	32.2	Very low	105 Å²	105	138 Å²	138	68%	0.682	75%	0.747	S	S	*	*			trans	-112.6	158.1	-164.1	40.4	-26	0	0	0	113.6
618	Y	32.6	Very low	32.2	Very low	229 Å²	229	140.6 Å²	140.6	90%	0.898	76%	0.756	S	S	*	*			trans	-158.6	102.1	160.1	-98.3	-89.2	0	0	0	106.3
619	S	30.8	Very low	32	Very low	83 Å²	83	142.1 Å²	142.1	58%	0.58	77%	0.765	S	S	*	*				74.8	120.7	86.3	78.8	0	0	0	0	115.1
620	E	31.7	Very low	32.2	Very low	170 Å²	170	143 Å²	143	79%	0.794	77%	0.77	S	S	*	*			trans	69.6	110.4	143	-63.9	179.9	166	0	0	119.7
621	F	33.9	Very low	32.1	Very low	260 Å²	260	144.8 Å²	144.8	100%	1.14	77%	0.772	S	S	*	*				-163	0	89.7	-110	-82.8	0	0	0	112

Retrieved 621 of 621 residues in 125.4 ms (Link to these results)

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