A0A077ZAZ7_TRITR Loading...

S-adenosylmethionine synthase

Catalyzes the formation of S-adenosylmethionine from methionine and ATP.

AlphaFold DB , UniProt , Accession A0A077ZAZ7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 424 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.8	Very low	38.1	Very low	238 Å²	238	136.5 Å²	136.5	100%	1.172	83%	0.826	S	S	*	*				0	116.5	0	-70.1	-179	-155.4	0	0	107.2
2	T	40.3	Very low	37.9	Very low	129 Å²	129	141.1 Å²	141.1	79%	0.791	83%	0.831	S	S	*	*			trans	47.9	95.9	155.2	42.5	0	0	0	0	117.8
3	T	35	Very low	38.1	Very low	144 Å²	144	146.2 Å²	146.2	88%	0.883	83%	0.827	S	S	*	*				35.8	119.1	72.2	65.9	0	0	0	0	115.8
4	G	38	Very low	38.5	Very low	82 Å²	82	142.2 Å²	142.2	85%	0.845	82%	0.822	S	S	*	*			trans	175.4	78.6	170.2	0	0	0	0	0	112.7
5	S	36.2	Very low	38.9	Very low	108 Å²	108	142 Å²	142	76%	0.755	82%	0.823	S	S	*	*			trans	-63.4	154.9	166.5	52.1	0	0	0	0	112.4
6	L	39.3	Very low	39.1	Very low	171 Å²	171	140.1 Å²	140.1	90%	0.895	82%	0.817	S	S	*	*			trans	-162.6	132.9	137.2	-100.5	159	0	0	0	110.8
7	T	35	Very low	39.2	Very low	119 Å²	119	137.2 Å²	137.2	73%	0.73	81%	0.813	S	S	*	*			trans	-87.4	167.7	-173.2	43.8	0	0	0	0	113.8
8	Q	41.9	Very low	39.3	Very low	172 Å²	172	137.8 Å²	137.8	80%	0.804	81%	0.812	S	S	*	*			trans	133.5	136.8	154.7	-78.4	-177.6	-21.2	0	0	109.3
9	D	40.2	Very low	39.3	Very low	141 Å²	141	139.5 Å²	139.5	75%	0.754	81%	0.811	S	S	*	*			cis	-166.5	149.4	-4.4	-99.2	-31.1	0	0	0	106.2
10	G	37	Very low	39.2	Very low	79 Å²	79	143.5 Å²	143.5	81%	0.814	81%	0.812	S	S	*	*			trans	49.7	108.8	148.1	0	0	0	0	0	121.9
11	D	37.2	Very low	39	Very low	119 Å²	119	148.3 Å²	148.3	64%	0.636	82%	0.817	S	S	*	*				-158.5	107	121	-159.5	15.4	0	0	0	109.3	R13	D11-R13 PolarHBondContact O-N 3.31Å; D11-R13 IonicContact OD2-CZ 3.36Å; D11-R13 IonicContact OD2-NE 3.02Å; D11-R13 PolarHBondContact OD2-NE 2.8Å; D11-R13 IonicContact OD2-NH2 2.8Å; D11-R13 PolarHBondContact OD2-NH2 3.02Å
12	E	35.9	Very low	39.2	Very low	191 Å²	191	145.2 Å²	145.2	89%	0.893	80%	0.803	S	S	*	*			trans	-70.4	109.1	170.3	-76.4	179.8	145.1	0	0	109.1
13	R	40	Very low	39.1	Very low	207 Å²	207	142.9 Å²	142.9	78%	0.781	80%	0.798	S	S	*	*			trans	-120.7	88.8	158.4	-72.7	-174.8	-134.1	178.5	6.5	109.9	D11 V15	D11-R13 PolarHBondContact O-N 3.31Å; D11-R13 IonicContact OD2-CZ 3.36Å; D11-R13 IonicContact OD2-NE 3.02Å; D11-R13 PolarHBondContact OD2-NE 2.8Å; D11-R13 IonicContact OD2-NH2 2.8Å; D11-R13 PolarHBondContact OD2-NH2 3.02Å; R13-V15 PolarHBondContact O-N 2.92Å
14	A	44.4	Very low	39.2	Very low	91 Å²	91	145 Å²	145	75%	0.752	80%	0.797	S	S	*	*			trans	-54.1	126.8	163.9	0	0	0	0	0	110.1	P16	A14-P16 VanDerWaalsContact O-CD 3.3Å; A14-P16 WeakPolarHBondContact O-CD 3.3Å
15	V	44.5	Very low	39.1	Very low	139 Å²	139	147.4 Å²	147.4	84%	0.842	80%	0.8	S	S	*	*			trans	-79.3	112.2	163.5	178.8	0	0	0	0	106.5	R13	R13-V15 PolarHBondContact O-N 2.92Å
16	P	41.2	Very low	39.2	Very low	112 Å²	112	145 Å²	145	73%	0.727	79%	0.793	S	S	*	*			trans	-73.9	131.9	177.7	-11.8	28.8	0	0	0	109.8	A14 D18	A14-P16 VanDerWaalsContact O-CD 3.3Å; A14-P16 WeakPolarHBondContact O-CD 3.3Å; P16-D18 PolarHBondContact O-N 3.45Å
17	A	41.9	Very low	39	Very low	90 Å²	90	141.9 Å²	141.9	74%	0.744	79%	0.785	S	S	*	*			trans	-60.3	118.2	162.3	0	0	0	0	0	109.3	Q19	A17-Q19 PolarHBondContact O-N 2.77Å
18	D	41.2	Very low	39.2	Very low	149 Å²	149	144.7 Å²	144.7	80%	0.797	80%	0.795	S	S	*	*			trans	-77.6	76.3	169.6	-162.9	-5.3	0	0	0	109.7	P16 R20	P16-D18 PolarHBondContact O-N 3.45Å; D18-R20 PolarHBondContact OD1-N 3.24Å
19	Q	39.6	Very low	39.6	Very low	169 Å²	169	139.4 Å²	139.4	79%	0.79	79%	0.787	S	S	*	*			trans	-85.6	94.3	147.3	-79.4	179.2	-16.3	0	0	107	A17	A17-Q19 PolarHBondContact O-N 2.77Å
20	R	35.8	Very low	40.6	Very low	220 Å²	220	138.5 Å²	138.5	83%	0.83	78%	0.778	S	S	*	*			trans	179.7	95.4	150.7	-103.2	168.6	-110.7	-163.2	-3.5	111.8	D18	D18-R20 PolarHBondContact OD1-N 3.24Å
21	R	35.1	Very low	42.9	Very low	244 Å²	244	142.8 Å²	142.8	92%	0.921	78%	0.777	S	S	*	*			trans	178.8	68.6	134.3	-96.1	168.2	-162.9	-149.9	6.3	109.9	A23	R21-A23 PolarHBondContact O-N 3.16Å
22	I	43.2	Very low	45.6	Very low	173 Å²	173	141 Å²	141	89%	0.887	77%	0.774	S	S	*	*			trans	-75.6	96.4	137.8	-64.4	175.2	0	0	0	102.8	Q24	I22-Q24 PolarHBondContact O-N 3.28Å; I22-Q24 VanDerWaalsContact O-N 3.16Å
23	A	39.3	Very low	48.5	Very low	81 Å²	81	134.4 Å²	134.4	67%	0.669	74%	0.743	S	S	*	*			trans	-56.4	122.1	172.5	0	0	0	0	0	106.8	R21 C25	R21-A23 PolarHBondContact O-N 3.16Å; A23-C25 PolarHBondContact O-N 3.13Å; A23-C25 VanDerWaalsContact O-N 3.13Å
24	Q	37.2	Very low	51.3	Low	187 Å²	187	129 Å²	129	87%	0.874	73%	0.729	S	S	*	*			trans	-50.1	122	168	-74.7	169.7	-31.2	0	0	107.3	I22 G26	I22-Q24 PolarHBondContact O-N 3.28Å; I22-Q24 VanDerWaalsContact O-N 3.16Å; Q24-G26 PolarHBondContact O-N 3.23Å
25	C	36	Very low	53.9	Low	134 Å²	134	127.1 Å²	127.1	91%	0.905	70%	0.704	S	S	*	*			trans	-66.1	83.6	169	-157.9	0	0	0	0	106.6	A23	A23-C25 PolarHBondContact O-N 3.13Å; A23-C25 VanDerWaalsContact O-N 3.13Å
26	G	36.7	Very low	56.5	Low	58 Å²	58	123.4 Å²	123.4	60%	0.598	68%	0.681	S	S	*	*			trans	-103.3	105.1	-175.3	0	0	0	0	0	109.8	Q24	Q24-G26 PolarHBondContact O-N 3.23Å
27	S	35.9	Very low	59.2	Low	105 Å²	105	118.2 Å²	118.2	73%	0.734	65%	0.648	S	S	*	*	S	Bend	trans	40.6	106.6	143.4	60.9	0	0	0	0	119.3	G29	S27-G29 PolarHBondContact O-N 3.29Å
28	N	39	Very low	61.9	Low	177 Å²	177	118.7 Å²	118.7	95%	0.947	63%	0.634	S	S	*	*			trans	57.9	33.4	139.6	-64.9	-2.1	0	0	0	120
29	G	49.8	Very low	64.7	Low	61 Å²	61	111.6 Å²	111.6	63%	0.629	60%	0.597	S	S	*	*			trans	-95.5	120.4	149.9	0	0	0	0	0	108.5	S27 E31	S27-G29 PolarHBondContact O-N 3.29Å; G29-E31 PolarHBondContact O-N 3.18Å
30	E	62.1	Low	67.5	Low	123 Å²	123	104 Å²	104	58%	0.575	56%	0.561	S	S	*	*			trans	-56.2	113.5	177.4	-70.1	176.7	146.2	0	0	109.8	S32 K203	E30-S32 PolarHBondContact O-N 3.49Å; E30-K203 HydrophobicContact CB-CD 4.27Å; E30-K203 IonicContact OE1-NZ 3.93Å; E30-K203 WeakPolarHBondContact OE2-CD 3.12Å; E30-K203 WeakPolarHBondContact OE2-CE 3.34Å; E30-K203 IonicContact OE2-NZ 2.64Å; E30-K203 PolarHBondContact OE2-NZ 2.9Å
31	E	85.1	Confident	70.5	Confident	168 Å²	168	93.6 Å²	93.6	79%	0.785	52%	0.523	S	S	*	.			trans	-62.3	118.4	-178.8	-68.7	-175	164.8	0	0	110	G29	G29-E31 PolarHBondContact O-N 3.18Å
32	S	93.4	Very high	73.5	Confident	82 Å²	82	82.2 Å²	82.2	57%	0.573	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	145.7	173.3	68.1	0	0	0	0	111.4	E30 Y202	E30-S32 PolarHBondContact O-N 3.49Å; S32-Y202 CarbonylContact C-O 3.57Å; S32-Y202 WeakPolarHBondContact CA-O 3.44Å; S32-Y202 WeakPolarHBondContact CB-O 3.49Å
33	F	97.9	Very high	76.1	Confident	53 Å²	53	74 Å²	74	23%	0.232	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	160.1	174.7	65.2	-84.9	0	0	0	111.4	F35 A201 Y202 F204 W288	F33-F35 HydrophobicContact CD2-CB 4.45Å; F33-F35 HydrophobicContact CE2-CB 4.19Å; F33-A201 CarbonylContact O-C 3.39Å; F33-A201 WeakPolarHBondContact O-CA 2.95Å; F33-Y202 HydrophobicContact CE2-CD2 4.31Å; F33-Y202 HydrophobicContact CE2-CG 4.23Å; F33-Y202 HydrophobicContact CZ-CG 4.08Å; F33-Y202 PolarHBondContact N-O 3.29Å; F33-Y202 PolarHBondContact O-N 3.06Å; F33-F204 HydrophobicContact CD1-CD2 4.18Å; F33-F204 AromaticContact CD1-CE2 3.95Å; F33-F204 HydrophobicContact CD1-CE2 3.95Å; F33-F204 HydrophobicContact CD1-CZ 4.43Å; F33-F204 HydrophobicContact CE1-CD1 4.11Å; F33-F204 AromaticContact CE1-CD2 3.61Å; F33-F204 HydrophobicContact CE1-CD2 3.61Å; F33-F204 AromaticContact CE1-CE1 3.9Å; F33-F204 HydrophobicContact CE1-CE1 3.9Å; F33-F204 AromaticContact CE1-CE2 3.38Å; F33-F204 HydrophobicContact CE1-CE2 3.38Å; F33-F204 AromaticContact CE1-CG 3.97Å; F33-F204 HydrophobicContact CE1-CG 3.97Å; F33-F204 AromaticContact CE1-CZ 3.53Å; F33-F204 HydrophobicContact CE1-CZ 3.53Å; F33-F204 HydrophobicContact CE2-CZ 4.27Å; F33-F204 HydrophobicContact CZ-CD1 4.32Å; F33-F204 HydrophobicContact CZ-CD2 4.37Å; F33-F204 AromaticContact CZ-CE1 3.73Å; F33-F204 HydrophobicContact CZ-CE1 3.73Å; F33-F204 AromaticContact CZ-CE2 3.79Å; F33-F204 HydrophobicContact CZ-CE2 3.79Å; F33-F204 AromaticContact CZ-CZ 3.42Å; F33-F204 HydrophobicContact CZ-CZ 3.42Å; F33-F204 VanDerWaalsContact CZ-CZ 3.42Å; F33-W288 AromaticContact CE2-CH2 3.98Å; F33-W288 HydrophobicContact CE2-CH2 3.98Å; F33-W288 HydrophobicContact CZ-CH2 4.17Å
34	L	98.5	Very high	78.9	Confident	94 Å²	94	70.6 Å²	70.6	49%	0.492	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	134.6	174.9	-59.3	-176.5	0	0	0	109.9	T199 V200 A201 H215	L34-T199 HydrophobicContact CB-CG2 4.01Å; L34-V200 WeakPolarHBondContact CA-O 3.43Å; L34-A201 HydrophobicContact CD2-CB 3.77Å; L34-H215 HydrophobicContact CD2-CB 3.9Å
35	F	98.8	Very high	81.8	Confident	51 Å²	51	61.7 Å²	61.7	22%	0.224	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	139.1	172	-161.6	-79.9	0	0	0	110.3	F33 T167 T199 V200 Y202 W288	F33-F35 HydrophobicContact CD2-CB 4.45Å; F33-F35 HydrophobicContact CE2-CB 4.19Å; F35-T167 HydrophobicContact CD1-CG2 4.43Å; F35-T167 WeakPolarHBondContact O-CG2 3.41Å; F35-T199 CarbonylContact O-C 3.55Å; F35-T199 VanDerWaalsContact O-CA 3.31Å; F35-T199 WeakPolarHBondContact O-CA 3.21Å; F35-V200 PolarHBondContact N-O 3.01Å; F35-V200 PolarHBondContact O-N 2.71Å; F35-Y202 HydrophobicContact CB-CD2 3.96Å; F35-Y202 HydrophobicContact CB-CE2 4.06Å; F35-W288 HydrophobicContact CB-CH2 4.15Å; F35-W288 HydrophobicContact CB-CZ2 3.66Å; F35-W288 HydrophobicContact CD1-CD2 4.18Å; F35-W288 AromaticContact CD1-CE2 3.36Å; F35-W288 HydrophobicContact CD1-CH2 4.42Å; F35-W288 AromaticContact CD1-CZ2 3.53Å; F35-W288 HydrophobicContact CD1-CZ2 3.53Å; F35-W288 AromaticContact CD1-NE1 3.26Å; F35-W288 VanDerWaalsContact CD1-NE1 3.26Å; F35-W288 AromaticContact CD2-CH2 3.93Å; F35-W288 HydrophobicContact CD2-CH2 3.93Å; F35-W288 AromaticContact CD2-CZ2 3.85Å; F35-W288 HydrophobicContact CD2-CZ2 3.85Å; F35-W288 HydrophobicContact CD2-CZ3 4.29Å; F35-W288 AromaticContact CE1-CD1 3.53Å; F35-W288 AromaticContact CE1-CD2 3.91Å; F35-W288 HydrophobicContact CE1-CD2 3.91Å; F35-W288 AromaticContact CE1-CE2 3.53Å; F35-W288 AromaticContact CE1-CG 3.96Å; F35-W288 HydrophobicContact CE1-CG 3.96Å; F35-W288 HydrophobicContact CE1-CZ2 4.13Å; F35-W288 AromaticContact CE1-NE1 3.29Å; F35-W288 VanDerWaalsContact CE1-NE1 3.29Å; F35-W288 HydrophobicContact CE2-CD2 4.28Å; F35-W288 HydrophobicContact CE2-CE3 4.35Å; F35-W288 HydrophobicContact CE2-CH2 4.48Å; F35-W288 HydrophobicContact CE2-CZ2 4.39Å; F35-W288 HydrophobicContact CE2-CZ3 4.44Å; F35-W288 HydrophobicContact CG-CD2 4.49Å; F35-W288 AromaticContact CG-CE2 3.69Å; F35-W288 AromaticContact CG-CH2 3.9Å; F35-W288 HydrophobicContact CG-CH2 3.9Å; F35-W288 AromaticContact CG-CZ2 3.37Å; F35-W288 HydrophobicContact CG-CZ2 3.37Å; F35-W288 AromaticContact CZ-CD2 3.96Å; F35-W288 HydrophobicContact CZ-CD2 3.96Å; F35-W288 AromaticContact CZ-CE2 3.99Å; F35-W288 HydrophobicContact CZ-CE3 4.43Å; F35-W288 HydrophobicContact CZ-CG 4.13Å
36	T	98.9	Very high	84.8	Confident	60 Å²	60	55.8 Å²	55.8	37%	0.368	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	135.3	-175.3	-56.2	0	0	0	0	110.6	Q197 V198 T199	T36-Q197 HydrophobicContact CG2-CG 3.32Å; T36-V198 WeakPolarHBondContact CA-O 3.2Å; T36-T199 WeakPolarHBondContact OG1-CB 3.28Å; T36-T199 WeakPolarHBondContact OG1-CG2 3.46Å; T36-T199 PolarHBondContact OG1-OG1 2.74Å
37	S	98.9	Very high	87.8	Confident	4 Å²	4	53.2 Å²	53.2	3%	0.028	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	154.9	166.1	-56.4	0	0	0	0	109.8	T167 Q197 V198 G286	S37-T167 VanDerWaalsContact OG-CB 3.29Å; S37-T167 WeakPolarHBondContact OG-CB 3.47Å; S37-T167 PolarHBondContact OG-OG1 3.18Å; S37-Q197 WeakPolarHBondContact O-CA 3.44Å; S37-V198 PolarHBondContact N-O 2.91Å; S37-V198 PolarHBondContact O-N 3.37Å; S37-G286 WeakPolarHBondContact CB-O 3.05Å; S37-G286 PolarHBondContact OG-O 3.02Å
38	E	98.8	Very high	90.7	Very high	99 Å²	99	48.2 Å²	48.2	46%	0.463	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	161.5	178.1	65.3	177.3	-146.3	0	0	111.8	S196 Q197 V282	E38-S196 CarbonylContact C-O 3.59Å; E38-S196 VanDerWaalsContact CA-O 3.23Å; E38-S196 WeakPolarHBondContact CA-O 3.42Å; E38-S196 WeakPolarHBondContact CB-O 3.44Å; E38-Q197 HydrophobicContact CB-CB 4.31Å; E38-Q197 HydrophobicContact CB-CG 4.26Å; E38-V282 HydrophobicContact CG-CG2 4.36Å
39	S	98.8	Very high	93.6	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.007	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	165.7	169.2	-159.6	0	0	0	0	111.2	H172 K195 S196 V282	S39-H172 PolarHBondContact OG-CE1 2.96Å; S39-H172 PolarHBondContact OG-ND1 3.09Å; S39-K195 WeakPolarHBondContact O-CA 3.47Å; S39-S196 WeakPolarHBondContact CB-OG 3.25Å; S39-S196 PolarHBondContact N-O 3.43Å; S39-S196 PolarHBondContact O-N 3.25Å; S39-V282 WeakPolarHBondContact OG-CG1 3.41Å
40	V	98.7	Very high	95.9	Very high	8 Å²	8	36.9 Å²	36.9	5%	0.048	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	142.5	174.9	-59.3	0	0	0	0	109	H44 K47 A194 K195 K279	V40-H44 HydrophobicContact CB-CB 3.73Å; V40-H44 HydrophobicContact CG2-CB 3.86Å; V40-K47 HydrophobicContact CG2-CB 4.47Å; V40-K47 HydrophobicContact CG2-CG 3.5Å; V40-A194 CarbonylContact C-O 3.59Å; V40-A194 VanDerWaalsContact CA-O 3.31Å; V40-A194 WeakPolarHBondContact CA-O 3.41Å; V40-K195 HydrophobicContact CG1-CB 4.49Å; V40-K195 HydrophobicContact CG1-CG 4.1Å; V40-K279 HydrophobicContact CG1-CD 4.4Å; V40-K279 HydrophobicContact CG2-CD 3.81Å; V40-K279 HydrophobicContact CG2-CG 4.05Å
41	G	97.8	Very high	97.7	Very high	3 Å²	3	31 Å²	31	3%	0.031	16%	0.162	C	C	.	.			trans	-76.5	172.2	-179.9	0	0	0	0	0	112.8	G43 H44 A194	G41-G43 PolarHBondContact O-N 3.28Å; G41-G43 VanDerWaalsContact O-N 3.08Å; G41-H44 WeakPolarHBondContact O-CB 3.11Å; G41-H44 PolarHBondContact O-N 2.87Å; G41-A194 PolarHBondContact N-O 2.64Å
42	V	98.2	Very high	98.3	Very high	4 Å²	4	23 Å²	23	2%	0.024	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-22.2	-177.2	-63.2	0	0	0	0	114.6	I51 I105 Q179 E390	V42-I51 HydrophobicContact CB-CD1 3.69Å; V42-I51 HydrophobicContact CG1-CD1 3.86Å; V42-I105 HydrophobicContact CB-CG1 4.48Å; V42-I105 HydrophobicContact CG2-CG2 4.27Å; V42-I105 WeakPolarHBondContact O-CG2 3.43Å; V42-Q179 VanDerWaalsContact CG1-OE1 3.29Å; V42-Q179 HydrophobicContact CG2-CG 4.25Å; V42-E390 HydrophobicContact CG1-CB 4.05Å; V42-E390 HydrophobicContact CG1-CG 3.72Å
43	G	98.2	Very high	98.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-9.3	177	0	0	0	0	0	115.2	G41 Y107 P192	G41-G43 PolarHBondContact O-N 3.28Å; G41-G43 VanDerWaalsContact O-N 3.08Å; G43-Y107 WeakPolarHBondContact O-CE2 3.41Å; G43-Y107 PolarHBondContact O-OH 3.09Å; G43-P192 WeakPolarHBondContact CA-O 3.3Å; G43-P192 PolarHBondContact N-O 3.45Å
44	H	98.7	Very high	98.6	Very high	10 Å²	10	16.6 Å²	16.6	5%	0.046	9%	0.086	C	C	.	.	S	Bend	trans	-61.1	134.7	174.7	-179.5	-71.6	0	0	0	109.5	V40 G41 D46 K47 L48 D193 K279	V40-H44 HydrophobicContact CB-CB 3.73Å; V40-H44 HydrophobicContact CG2-CB 3.86Å; G41-H44 WeakPolarHBondContact O-CB 3.11Å; G41-H44 PolarHBondContact O-N 2.87Å; H44-D46 VanDerWaalsContact C-N 3.35Å; H44-D46 IonicContact CE1-OD2 3.72Å; H44-D46 PolarHBondContact CE1-OD2 3.49Å; H44-D46 VanDerWaalsContact CE1-OD2 3.26Å; H44-D46 PolarHBondContact ND1-N 3.2Å; H44-D46 VanDerWaalsContact ND1-N 3.14Å; H44-D46 IonicContact ND1-OD2 3.5Å; H44-D46 PolarHBondContact O-N 3.26Å; H44-K47 HydrophobicContact CB-CB 4.29Å; H44-K47 CarbonylContact O-C 3.52Å; H44-K47 WeakPolarHBondContact O-CA 3.38Å; H44-K47 PolarHBondContact O-N 3.41Å; H44-L48 PolarHBondContact O-N 2.95Å; H44-D193 WeakPolarHBondContact CA-OD1 3.14Å; H44-K279 WeakPolarHBondContact CE1-CE 3.45Å; H44-K279 PolarHBondContact CE1-NZ 2.66Å
45	P	98.5	Very high	98.6	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-60.6	-38.6	-168.9	22	-32.9	0	0	0	113.7	K47 L48 C49 P269 D272 G274	P45-K47 PolarHBondContact O-N 3.26Å; P45-L48 PolarHBondContact O-N 2.66Å; P45-C49 PolarHBondContact O-N 3.19Å; P45-C49 VanDerWaalsContact O-N 3.16Å; P45-C49 PolarHBondContact O-SG 2.91Å; P45-P269 HydrophobicContact CB-CG 4.25Å; P45-D272 HydrophobicContact CG-CB 3.91Å; P45-G274 VanDerWaalsContact C-CA 3.49Å
46	D	98.7	Very high	98.6	Very high	11 Å²	11	10 Å²	10	6%	0.059	6%	0.055	C	C	.	.	H	α-helix	trans	-61.4	-40.4	171.1	-66.3	-35	0	0	0	112.9	H44 C49 D50 G274 L275 R278 K279	H44-D46 VanDerWaalsContact C-N 3.35Å; H44-D46 IonicContact CE1-OD2 3.72Å; H44-D46 PolarHBondContact CE1-OD2 3.49Å; H44-D46 VanDerWaalsContact CE1-OD2 3.26Å; H44-D46 PolarHBondContact ND1-N 3.2Å; H44-D46 VanDerWaalsContact ND1-N 3.14Å; H44-D46 IonicContact ND1-OD2 3.5Å; H44-D46 PolarHBondContact O-N 3.26Å; D46-C49 WeakPolarHBondContact O-CB 3.19Å; D46-C49 PolarHBondContact O-N 3.33Å; D46-D50 PolarHBondContact O-N 3.13Å; D46-G274 VanDerWaalsContact OD1-CA 3.3Å; D46-G274 WeakPolarHBondContact OD1-CA 3.35Å; D46-L275 PolarHBondContact OD1-N 3.31Å; D46-R278 HydrophobicContact CB-CB 4.1Å; D46-R278 VanDerWaalsContact CG-CB 3.49Å; D46-K279 HydrophobicContact CB-CG 3.78Å; D46-K279 IonicContact OD2-NZ 2.78Å; D46-K279 PolarHBondContact OD2-NZ 3.32Å
47	K	98.7	Very high	98.6	Very high	3 Å²	3	7.2 Å²	7.2	1%	0.013	4%	0.037	C	C	.	.	H	α-helix	trans	-73	-33.3	178.7	-82.7	-47	-166.6	-172.3	0	113.4	V40 H44 P45 C49 D50 I51 K279 D283	V40-K47 HydrophobicContact CG2-CB 4.47Å; V40-K47 HydrophobicContact CG2-CG 3.5Å; H44-K47 HydrophobicContact CB-CB 4.29Å; H44-K47 CarbonylContact O-C 3.52Å; H44-K47 WeakPolarHBondContact O-CA 3.38Å; H44-K47 PolarHBondContact O-N 3.41Å; P45-K47 PolarHBondContact O-N 3.26Å; K47-C49 VanDerWaalsContact C-N 3.28Å; K47-C49 PolarHBondContact O-N 3.43Å; K47-D50 HydrophobicContact CD-CB 4.18Å; K47-D50 WeakPolarHBondContact CD-OD2 3.46Å; K47-D50 IonicContact NZ-OD2 2.88Å; K47-D50 PolarHBondContact NZ-OD2 3.15Å; K47-D50 PolarHBondContact O-N 3.49Å; K47-I51 WeakPolarHBondContact O-CD1 3.35Å; K47-I51 WeakPolarHBondContact O-CG1 3.36Å; K47-I51 PolarHBondContact O-N 3.19Å; K47-K279 HydrophobicContact CD-CB 4.28Å; K47-K279 HydrophobicContact CG-CG 4.48Å; K47-D283 VanDerWaalsContact CE-OD1 3.3Å; K47-D283 WeakPolarHBondContact CE-OD1 3.31Å; K47-D283 IonicContact NZ-OD1 3.64Å; K47-D283 PolarHBondContact NZ-OD1 2.82Å; K47-D283 IonicContact NZ-OD2 3.32Å; K47-D283 PolarHBondContact NZ-OD2 2.86Å
48	L	98.6	Very high	98.6	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-56.4	-46.2	168.8	-179.9	154.2	0	0	0	110.6	H44 P45 I51 V52 A75 I80 I102 I105 Y107 F114 P269	H44-L48 PolarHBondContact O-N 2.95Å; P45-L48 PolarHBondContact O-N 2.66Å; L48-I51 PolarHBondContact O-N 3.28Å; L48-V52 HydrophobicContact CD2-CG2 4.22Å; L48-V52 WeakPolarHBondContact O-CB 3.34Å; L48-V52 VanDerWaalsContact O-CG2 3.27Å; L48-V52 WeakPolarHBondContact O-CG2 3.43Å; L48-V52 PolarHBondContact O-N 3.42Å; L48-A75 HydrophobicContact CD2-CB 4.31Å; L48-I80 HydrophobicContact CD2-CD1 3.92Å; L48-I102 HydrophobicContact CD1-CG1 4.43Å; L48-I102 HydrophobicContact CD2-CG1 4.37Å; L48-I105 HydrophobicContact CB-CD1 4.25Å; L48-I105 HydrophobicContact CD1-CD1 4.39Å; L48-I105 HydrophobicContact CG-CD1 3.98Å; L48-Y107 HydrophobicContact CD1-CD2 3.58Å; L48-Y107 HydrophobicContact CD1-CE2 3.71Å; L48-F114 HydrophobicContact CD1-CD1 4.14Å; L48-F114 HydrophobicContact CD1-CE1 4.32Å; L48-P269 HydrophobicContact CD1-CG 4.37Å
49	C	98.8	Very high	98.6	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-60.9	-45.8	176.2	-69.9	0	0	0	0	112.2	P45 D46 K47 I51 V52 C53 A73 G274	P45-C49 PolarHBondContact O-N 3.19Å; P45-C49 VanDerWaalsContact O-N 3.16Å; P45-C49 PolarHBondContact O-SG 2.91Å; D46-C49 WeakPolarHBondContact O-CB 3.19Å; D46-C49 PolarHBondContact O-N 3.33Å; K47-C49 VanDerWaalsContact C-N 3.28Å; K47-C49 PolarHBondContact O-N 3.43Å; C49-I51 PolarHBondContact O-N 3.09Å; C49-V52 PolarHBondContact O-N 3.19Å; C49-C53 WeakPolarHBondContact O-CB 3.34Å; C49-C53 PolarHBondContact O-N 3.01Å; C49-C53 PolarHBondContact O-SG 2.68Å; C49-C53 VanDerWaalsContact O-SG 3.36Å; C49-A73 HydrophobicContact CB-CB 3.82Å; C49-G274 VanDerWaalsContact SG-C 3.54Å; C49-G274 PolarHBondContact SG-O 2.79Å
50	D	98.8	Very high	98.5	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-56.3	-51	175.6	-75.8	-34.4	0	0	0	112.3	D46 K47 V52 C53 D54 T276 G277 S297	D46-D50 PolarHBondContact O-N 3.13Å; K47-D50 HydrophobicContact CD-CB 4.18Å; K47-D50 WeakPolarHBondContact CD-OD2 3.46Å; K47-D50 IonicContact NZ-OD2 2.88Å; K47-D50 PolarHBondContact NZ-OD2 3.15Å; K47-D50 PolarHBondContact O-N 3.49Å; D50-V52 PolarHBondContact O-N 3.16Å; D50-C53 PolarHBondContact O-N 3.31Å; D50-D54 PolarHBondContact O-N 2.99Å; D50-T276 WeakPolarHBondContact OD1-CG2 3.5Å; D50-G277 PolarHBondContact OD1-N 3.25Å; D50-S297 VanDerWaalsContact CB-OG 3.25Å; D50-S297 WeakPolarHBondContact CB-OG 3.23Å; D50-S297 VanDerWaalsContact OD1-CB 3.27Å; D50-S297 WeakPolarHBondContact OD1-CB 3.37Å; D50-S297 PolarHBondContact OD1-OG 2.84Å
51	I	98.7	Very high	98.4	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-64.6	-39.5	-177.9	-60.5	158.6	0	0	0	110.8	V42 K47 L48 C49 D54 A55 T101 I105 R386 E390	V42-I51 HydrophobicContact CB-CD1 3.69Å; V42-I51 HydrophobicContact CG1-CD1 3.86Å; K47-I51 WeakPolarHBondContact O-CD1 3.35Å; K47-I51 WeakPolarHBondContact O-CG1 3.36Å; K47-I51 PolarHBondContact O-N 3.19Å; L48-I51 PolarHBondContact O-N 3.28Å; C49-I51 PolarHBondContact O-N 3.09Å; I51-D54 PolarHBondContact O-N 2.72Å; I51-A55 VanDerWaalsContact O-CB 3.29Å; I51-A55 WeakPolarHBondContact O-CB 3.37Å; I51-A55 PolarHBondContact O-N 3.05Å; I51-T101 HydrophobicContact CB-CG2 4.33Å; I51-T101 HydrophobicContact CG2-CG2 3.57Å; I51-I105 HydrophobicContact CB-CD1 4.35Å; I51-I105 HydrophobicContact CD1-CD1 3.95Å; I51-I105 HydrophobicContact CD1-CG1 4.31Å; I51-I105 HydrophobicContact CG2-CD1 4.36Å; I51-R386 HydrophobicContact CG2-CG 3.95Å; I51-E390 HydrophobicContact CD1-CG 4.17Å; I51-E390 HydrophobicContact CG1-CG 4.21Å
52	V	98.8	Very high	98.4	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-63.8	-45.5	176.4	170	0	0	0	0	110.9	L48 C49 D50 D54 A55 I56 I80 L82 A98 T101 I102	L48-V52 HydrophobicContact CD2-CG2 4.22Å; L48-V52 WeakPolarHBondContact O-CB 3.34Å; L48-V52 VanDerWaalsContact O-CG2 3.27Å; L48-V52 WeakPolarHBondContact O-CG2 3.43Å; L48-V52 PolarHBondContact O-N 3.42Å; C49-V52 PolarHBondContact O-N 3.19Å; D50-V52 PolarHBondContact O-N 3.16Å; V52-D54 PolarHBondContact O-N 3Å; V52-A55 PolarHBondContact O-N 2.91Å; V52-I56 HydrophobicContact CG1-CD1 4.01Å; V52-I56 WeakPolarHBondContact O-CG1 3.4Å; V52-I56 PolarHBondContact O-N 2.96Å; V52-I80 HydrophobicContact CB-CD1 4.24Å; V52-I80 HydrophobicContact CG1-CD1 3.97Å; V52-I80 HydrophobicContact CG2-CD1 3.95Å; V52-L82 HydrophobicContact CG1-CD2 3.72Å; V52-A98 HydrophobicContact CG1-CB 3.94Å; V52-T101 HydrophobicContact CG2-CG2 3.75Å; V52-I102 HydrophobicContact CG2-CG1 4.32Å
53	C	98.7	Very high	98.3	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-62.4	-40.9	177.8	-75	0	0	0	0	112.6	C49 D50 I56 L57 C71 A73 T276	C49-C53 WeakPolarHBondContact O-CB 3.34Å; C49-C53 PolarHBondContact O-N 3.01Å; C49-C53 PolarHBondContact O-SG 2.68Å; C49-C53 VanDerWaalsContact O-SG 3.36Å; D50-C53 PolarHBondContact O-N 3.31Å; C53-I56 PolarHBondContact O-N 2.99Å; C53-L57 PolarHBondContact O-N 3.26Å; C53-C71 PolarHBondContact SG-O 3.44Å; C53-A73 VanDerWaalsContact SG-CB 3.51Å; C53-A73 PolarHBondContact SG-N 3.06Å; C53-A73 VanDerWaalsContact SG-N 3.35Å; C53-T276 HydrophobicContact CB-CG2 4.19Å; C53-T276 PolarHBondContact SG-OG1 2.59Å
54	D	98.8	Very high	98.1	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-74.4	-29.9	176.3	-81.4	-24.4	0	0	0	113.5	D50 I51 V52 I56 L57 D58 S297 G298 R306 S389	D50-D54 PolarHBondContact O-N 2.99Å; I51-D54 PolarHBondContact O-N 2.72Å; V52-D54 PolarHBondContact O-N 3Å; D54-I56 VanDerWaalsContact C-N 3.31Å; D54-I56 PolarHBondContact O-N 3.38Å; D54-L57 PolarHBondContact O-N 3.38Å; D54-D58 WeakPolarHBondContact O-CB 3.4Å; D54-D58 PolarHBondContact O-N 2.79Å; D54-S297 WeakPolarHBondContact OD1-CA 3.44Å; D54-S297 WeakPolarHBondContact OD2-CA 3.42Å; D54-G298 PolarHBondContact OD1-N 2.69Å; D54-R306 IonicContact OD1-CZ 2.88Å; D54-R306 IonicContact OD1-NH1 2.83Å; D54-R306 PolarHBondContact OD1-NH1 3.42Å; D54-R306 IonicContact OD1-NH2 2.82Å; D54-R306 PolarHBondContact OD1-NH2 3.4Å; D54-R306 IonicContact OD2-NH2 2.72Å; D54-S389 WeakPolarHBondContact CB-OG 3.29Å; D54-S389 PolarHBondContact OD2-OG 3.32Å
55	A	98.7	Very high	97.9	Very high	8 Å²	8	17.8 Å²	17.8	7%	0.066	10%	0.1	C	C	.	.	H	α-helix	trans	-63.8	-37.9	169.9	0	0	0	0	0	111.9	I51 V52 D58 A59 V97 T101 R386	I51-A55 VanDerWaalsContact O-CB 3.29Å; I51-A55 WeakPolarHBondContact O-CB 3.37Å; I51-A55 PolarHBondContact O-N 3.05Å; V52-A55 PolarHBondContact O-N 2.91Å; A55-D58 PolarHBondContact O-N 3.18Å; A55-A59 WeakPolarHBondContact O-CB 3.42Å; A55-A59 PolarHBondContact O-N 2.64Å; A55-V97 HydrophobicContact CB-CG1 3.86Å; A55-T101 HydrophobicContact CB-CG2 4.37Å; A55-T101 WeakPolarHBondContact CB-OG1 3.16Å; A55-R386 HydrophobicContact CB-CG 4.32Å
56	I	98.6	Very high	97.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-65.7	-44.6	173.3	-69.3	160.6	0	0	0	110.6	V52 C53 D54 D58 A59 Y60 C71 L82 Y94 V97	V52-I56 HydrophobicContact CG1-CD1 4.01Å; V52-I56 WeakPolarHBondContact O-CG1 3.4Å; V52-I56 PolarHBondContact O-N 2.96Å; C53-I56 PolarHBondContact O-N 2.99Å; D54-I56 VanDerWaalsContact C-N 3.31Å; D54-I56 PolarHBondContact O-N 3.38Å; I56-D58 PolarHBondContact O-N 3.18Å; I56-A59 PolarHBondContact O-N 2.85Å; I56-Y60 HydrophobicContact CG2-CD2 4Å; I56-Y60 HydrophobicContact CG2-CE2 4.07Å; I56-Y60 WeakPolarHBondContact O-CD2 3.44Å; I56-Y60 PolarHBondContact O-N 3.39Å; I56-C71 HydrophobicContact CG2-CB 4.45Å; I56-L82 HydrophobicContact CD1-CD1 3.6Å; I56-L82 HydrophobicContact CD1-CD2 3.96Å; I56-L82 HydrophobicContact CD1-CG 4.34Å; I56-Y94 HydrophobicContact CD1-CD1 4.07Å; I56-Y94 HydrophobicContact CG1-CD1 4.33Å; I56-Y94 HydrophobicContact CG2-CD1 4.01Å; I56-Y94 HydrophobicContact CG2-CE1 3.71Å; I56-V97 HydrophobicContact CG1-CB 4.47Å; I56-V97 HydrophobicContact CG1-CG1 3.87Å
57	L	98.5	Very high	97.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-58.6	-47.5	175	172.3	67	0	0	0	111.7	C53 D54 A59 Y60 L61 V69 K299 D300 Y385	C53-L57 PolarHBondContact O-N 3.26Å; D54-L57 PolarHBondContact O-N 3.38Å; L57-A59 VanDerWaalsContact C-N 3.32Å; L57-A59 PolarHBondContact O-N 2.81Å; L57-Y60 WeakPolarHBondContact O-CB 3.5Å; L57-Y60 PolarHBondContact O-N 3.3Å; L57-L61 HydrophobicContact CD1-CD1 3.81Å; L57-L61 HydrophobicContact CD1-CG 3.92Å; L57-L61 HydrophobicContact CD2-CD1 4.49Å; L57-L61 HydrophobicContact CG-CD1 3.9Å; L57-L61 HydrophobicContact CG-CG 4.32Å; L57-L61 WeakPolarHBondContact O-CG 3.27Å; L57-L61 PolarHBondContact O-N 3.33Å; L57-V69 HydrophobicContact CB-CG1 4.45Å; L57-V69 HydrophobicContact CD1-CB 3.73Å; L57-V69 HydrophobicContact CD1-CG1 4.22Å; L57-V69 HydrophobicContact CD1-CG2 3.91Å; L57-K299 WeakPolarHBondContact CD2-O 3.4Å; L57-D300 HydrophobicContact CD1-CB 3.92Å; L57-Y385 HydrophobicContact CD2-CD1 4.39Å; L57-Y385 HydrophobicContact CD2-CD2 3.5Å; L57-Y385 VanDerWaalsContact CD2-CD2 3.5Å; L57-Y385 HydrophobicContact CD2-CE2 4.19Å; L57-Y385 HydrophobicContact CD2-CG 3.63Å; L57-Y385 HydrophobicContact CG-CD2 4Å
58	D	98.7	Very high	97.1	Very high	20 Å²	20	23.8 Å²	23.8	11%	0.107	13%	0.127	C	C	.	.	H	α-helix	trans	-61.9	-40.2	178.7	-78.4	-12.7	0	0	0	111.5	D54 A55 I56 Y60 L61 T62 P383 I384 Y385 R386	D54-D58 WeakPolarHBondContact O-CB 3.4Å; D54-D58 PolarHBondContact O-N 2.79Å; A55-D58 PolarHBondContact O-N 3.18Å; I56-D58 PolarHBondContact O-N 3.18Å; D58-Y60 VanDerWaalsContact C-N 3.32Å; D58-Y60 PolarHBondContact O-N 3.49Å; D58-L61 PolarHBondContact O-N 2.76Å; D58-T62 WeakPolarHBondContact O-CB 3.41Å; D58-T62 PolarHBondContact O-N 2.9Å; D58-T62 PolarHBondContact O-OG1 2.89Å; D58-P383 HydrophobicContact CB-CB 3.79Å; D58-P383 WeakPolarHBondContact O-CB 3.31Å; D58-P383 VanDerWaalsContact OD1-C 3.24Å; D58-P383 VanDerWaalsContact OD1-CA 3.22Å; D58-P383 WeakPolarHBondContact OD1-CA 3.35Å; D58-I384 PolarHBondContact OD1-N 3.49Å; D58-Y385 WeakPolarHBondContact OD1-CB 3.37Å; D58-Y385 WeakPolarHBondContact OD1-CD2 3.5Å; D58-Y385 PolarHBondContact OD1-N 2.93Å; D58-Y385 PolarHBondContact OD2-N 2.76Å; D58-R386 WeakPolarHBondContact OD2-CB 3.38Å; D58-R386 PolarHBondContact OD2-N 3.44Å
59	A	98.4	Very high	96.9	Very high	21 Å²	21	23.8 Å²	23.8	17%	0.174	13%	0.127	C	C	.	.	H	α-helix	trans	-59.5	-43.3	174.8	0	0	0	0	0	111.5	A55 I56 L57 I92 V97	A55-A59 WeakPolarHBondContact O-CB 3.42Å; A55-A59 PolarHBondContact O-N 2.64Å; I56-A59 PolarHBondContact O-N 2.85Å; L57-A59 VanDerWaalsContact C-N 3.32Å; L57-A59 PolarHBondContact O-N 2.81Å; A59-I92 HydrophobicContact CB-CD1 4.06Å; A59-I92 HydrophobicContact CB-CG1 4.35Å; A59-I92 HydrophobicContact CB-CG2 3.77Å; A59-I92 WeakPolarHBondContact O-CD1 3.29Å; A59-V97 HydrophobicContact CB-CG2 4.16Å
60	Y	97.7	Very high	96.8	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.008	14%	0.14	C	C	.	.	H	α-helix	trans	-64.3	-47.4	174.2	-89.9	-70.8	0	0	0	113	I56 L57 D58 T62 E63 D64 A67 V69 V86 A90 I92 Y94 H127	I56-Y60 HydrophobicContact CG2-CD2 4Å; I56-Y60 HydrophobicContact CG2-CE2 4.07Å; I56-Y60 WeakPolarHBondContact O-CD2 3.44Å; I56-Y60 PolarHBondContact O-N 3.39Å; L57-Y60 WeakPolarHBondContact O-CB 3.5Å; L57-Y60 PolarHBondContact O-N 3.3Å; D58-Y60 VanDerWaalsContact C-N 3.32Å; D58-Y60 PolarHBondContact O-N 3.49Å; Y60-T62 PolarHBondContact O-N 2.83Å; Y60-E63 PolarHBondContact O-N 3.07Å; Y60-D64 CarbonylContact O-C 3.59Å; Y60-D64 PolarHBondContact O-N 2.92Å; Y60-A67 HydrophobicContact CD1-CB 4.24Å; Y60-A67 HydrophobicContact CG-CB 4.44Å; Y60-V69 HydrophobicContact CD2-CG2 3.98Å; Y60-V69 HydrophobicContact CG-CG2 3.9Å; Y60-V86 HydrophobicContact CD1-CG1 4.04Å; Y60-V86 HydrophobicContact CD2-CG1 4.35Å; Y60-V86 HydrophobicContact CE1-CG1 3.61Å; Y60-V86 HydrophobicContact CE2-CG1 3.96Å; Y60-V86 HydrophobicContact CE2-CG2 4.05Å; Y60-V86 HydrophobicContact CG-CG1 4.4Å; Y60-A90 HydrophobicContact CD1-CB 3.97Å; Y60-A90 HydrophobicContact CE1-CB 4.13Å; Y60-I92 HydrophobicContact CD1-CG1 3.74Å; Y60-I92 HydrophobicContact CD2-CB 4.4Å; Y60-I92 HydrophobicContact CD2-CG1 3.82Å; Y60-I92 HydrophobicContact CE1-CB 4.39Å; Y60-I92 HydrophobicContact CE1-CG1 3.63Å; Y60-I92 HydrophobicContact CE2-CB 3.9Å; Y60-I92 HydrophobicContact CE2-CG1 3.71Å; Y60-I92 HydrophobicContact CE2-CG2 4.47Å; Y60-I92 HydrophobicContact CG-CG1 3.82Å; Y60-Y94 HydrophobicContact CE2-CE1 4.14Å; Y60-Y94 HydrophobicContact CE2-CE2 4.36Å; Y60-Y94 AromaticContact CE2-CZ 3.68Å; Y60-Y94 WeakPolarHBondContact CE2-OH 3.28Å; Y60-Y94 AromaticContact CZ-CZ 3.95Å; Y60-Y94 VanDerWaalsContact CZ-OH 3.28Å; Y60-Y94 WeakPolarHBondContact OH-CE2 3.5Å; Y60-Y94 PolarHBondContact OH-OH 3.06Å; Y60-H127 PolarHBondContact OH-CD2 3.28Å; Y60-H127 PolarHBondContact OH-NE2 2.75Å
61	L	96.5	Very high	96.8	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.021	14%	0.14	C	C	.	.	H	α-helix	trans	-70	-18.5	-177.7	-68.6	179.3	0	0	0	113.8	L57 D58 Y385	L57-L61 HydrophobicContact CD1-CD1 3.81Å; L57-L61 HydrophobicContact CD1-CG 3.92Å; L57-L61 HydrophobicContact CD2-CD1 4.49Å; L57-L61 HydrophobicContact CG-CD1 3.9Å; L57-L61 HydrophobicContact CG-CG 4.32Å; L57-L61 WeakPolarHBondContact O-CG 3.27Å; L57-L61 PolarHBondContact O-N 3.33Å; D58-L61 PolarHBondContact O-N 2.76Å; L61-Y385 HydrophobicContact CD1-CD2 3.64Å; L61-Y385 HydrophobicContact CD1-CE2 3.31Å
62	T	97.5	Very high	96.8	Very high	85 Å²	85	28.3 Å²	28.3	52%	0.521	15%	0.152	S	C	.	.	H	α-helix	trans	-67.9	-42.9	171.5	-59.8	0	0	0	0	111.1	D58 Y60 P383	D58-T62 WeakPolarHBondContact O-CB 3.41Å; D58-T62 PolarHBondContact O-N 2.9Å; D58-T62 PolarHBondContact O-OG1 2.89Å; Y60-T62 PolarHBondContact O-N 2.83Å; T62-P383 WeakPolarHBondContact OG1-CB 3.38Å; T62-P383 WeakPolarHBondContact OG1-CG 3.27Å
63	E	95.9	Very high	96.8	Very high	137 Å²	137	28.5 Å²	28.5	64%	0.64	15%	0.154	S	C	*	.	H	α-helix	trans	-90.3	-35.1	-176.9	-62.9	-61.9	142.2	0	0	112.9	Y60 A90 I92	Y60-E63 PolarHBondContact O-N 3.07Å; E63-A90 HydrophobicContact CB-CB 3.59Å; E63-A90 HydrophobicContact CG-CB 4.4Å; E63-I92 HydrophobicContact CG-CD1 4.11Å
64	D	94.2	Very high	96.8	Very high	27 Å²	27	30 Å²	30	14%	0.144	17%	0.167	C	C	.	.			trans	-139.8	95.2	-176.9	176	9.5	0	0	0	110	Y60 F66 A67 S88 A90	Y60-D64 CarbonylContact O-C 3.59Å; Y60-D64 PolarHBondContact O-N 2.92Å; D64-F66 PolarHBondContact O-N 3.06Å; D64-F66 WeakPolarHBondContact OD1-CA 3.41Å; D64-F66 PolarHBondContact OD1-N 3.43Å; D64-A67 HydrophobicContact CB-CB 4.08Å; D64-A67 WeakPolarHBondContact O-CB 3.4Å; D64-A67 PolarHBondContact O-N 3.15Å; D64-A67 PolarHBondContact OD1-N 3.09Å; D64-A67 PolarHBondContact OD2-N 3.18Å; D64-S88 WeakPolarHBondContact CB-OG 3.49Å; D64-S88 WeakPolarHBondContact OD2-CB 3.4Å; D64-S88 PolarHBondContact OD2-OG 2.97Å; D64-A90 HydrophobicContact CB-CB 4.19Å
65	P	93.4	Very high	96.8	Very high	55 Å²	55	30.2 Å²	30.2	36%	0.357	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-14.3	177.8	-26.4	35.7	0	0	0	114.5	R381	P65-R381 HydrophobicContact CB-CB 4.15Å; P65-R381 WeakPolarHBondContact O-CB 3.44Å; P65-R381 WeakPolarHBondContact O-CD 3.35Å; P65-R381 VanDerWaalsContact O-CG 3.23Å; P65-R381 WeakPolarHBondContact O-CG 3.47Å
66	F	91.7	Very high	96.8	Very high	102 Å²	102	33.7 Å²	33.7	45%	0.447	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	4.1	179.3	-63.1	-92.2	0	0	0	112.9	D64 K68 E134	D64-F66 PolarHBondContact O-N 3.06Å; D64-F66 WeakPolarHBondContact OD1-CA 3.41Å; D64-F66 PolarHBondContact OD1-N 3.43Å; F66-K68 PolarHBondContact O-N 2.87Å; F66-E134 WeakPolarHBondContact CD1-OE2 3.41Å
67	A	93.5	Very high	96.7	Very high	2 Å²	2	37.7 Å²	37.7	2%	0.017	21%	0.206	C	C	.	.			trans	-52.7	133.5	178.7	0	0	0	0	0	111.4	Y60 D64 V69	Y60-A67 HydrophobicContact CD1-CB 4.24Å; Y60-A67 HydrophobicContact CG-CB 4.44Å; D64-A67 HydrophobicContact CB-CB 4.08Å; D64-A67 WeakPolarHBondContact O-CB 3.4Å; D64-A67 PolarHBondContact O-N 3.15Å; D64-A67 PolarHBondContact OD1-N 3.09Å; D64-A67 PolarHBondContact OD2-N 3.18Å; A67-V69 HydrophobicContact CB-CG2 4.2Å
68	K	93.9	Very high	96.7	Very high	37 Å²	37	39.1 Å²	39.1	16%	0.161	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	105.1	174.1	-58.6	-60.2	-177.2	-174.7	0	110.4	F66 V86 E87 E134 D300 S302	F66-K68 PolarHBondContact O-N 2.87Å; K68-V86 CarbonylContact O-C 3.54Å; K68-V86 VanDerWaalsContact O-CA 3.27Å; K68-V86 WeakPolarHBondContact O-CA 3.41Å; K68-E87 HydrophobicContact CB-CB 3.97Å; K68-E87 HydrophobicContact CB-CG 4.14Å; K68-E87 HydrophobicContact CG-CB 4.49Å; K68-E87 PolarHBondContact N-O 2.85Å; K68-E87 PolarHBondContact O-N 2.91Å; K68-E134 WeakPolarHBondContact CE-OE1 3.36Å; K68-E134 IonicContact NZ-OE1 2.76Å; K68-E134 PolarHBondContact NZ-OE1 3.31Å; K68-D300 WeakPolarHBondContact CA-OD1 3.17Å; K68-D300 WeakPolarHBondContact CD-OD1 3.37Å; K68-S302 WeakPolarHBondContact CD-OG 3.28Å; K68-S302 PolarHBondContact NZ-OG 3.03Å
69	V	95.9	Very high	96.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	131.4	-174.2	-176.7	0	0	0	0	110.4	L57 Y60 A67 C71 V86 G298 D300 K303	L57-V69 HydrophobicContact CB-CG1 4.45Å; L57-V69 HydrophobicContact CD1-CB 3.73Å; L57-V69 HydrophobicContact CD1-CG1 4.22Å; L57-V69 HydrophobicContact CD1-CG2 3.91Å; Y60-V69 HydrophobicContact CD2-CG2 3.98Å; Y60-V69 HydrophobicContact CG-CG2 3.9Å; A67-V69 HydrophobicContact CB-CG2 4.2Å; V69-C71 HydrophobicContact CG1-CB 4.05Å; V69-V86 HydrophobicContact CG1-CG2 4.16Å; V69-V86 HydrophobicContact CG2-CG1 4.24Å; V69-V86 HydrophobicContact CG2-CG2 4.42Å; V69-G298 CarbonylContact C-O 3.58Å; V69-D300 HydrophobicContact CB-CB 4.4Å; V69-D300 PolarHBondContact N-OD1 3.48Å; V69-D300 PolarHBondContact O-N 3.41Å; V69-K303 PolarHBondContact O-NZ 3.46Å
70	S	97	Very high	96.7	Very high	40 Å²	40	39.8 Å²	39.8	28%	0.28	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	88.9	165.5	-166.2	0	0	0	0	106.7	G84 K85 G298	S70-G84 CarbonylContact O-C 3.44Å; S70-G84 WeakPolarHBondContact O-CA 3.42Å; S70-K85 PolarHBondContact N-O 2.78Å; S70-K85 PolarHBondContact O-N 3.12Å; S70-G298 CarbonylContact C-O 3.43Å; S70-G298 VanDerWaalsContact CA-O 3.28Å; S70-G298 WeakPolarHBondContact CA-O 3.35Å
71	C	98.1	Very high	96.8	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	128	-177.9	-177.8	0	0	0	0	109.5	C53 I56 V69 G298	C53-C71 PolarHBondContact SG-O 3.44Å; I56-C71 HydrophobicContact CG2-CB 4.45Å; V69-C71 HydrophobicContact CG1-CB 4.05Å; C71-G298 PolarHBondContact N-O 3.37Å; C71-G298 WeakPolarHBondContact O-CA 3.18Å
72	E	98.7	Very high	96.9	Very high	55 Å²	55	42.8 Å²	42.8	26%	0.257	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	152.4	172.1	-51.2	-70.3	173.5	0	0	108.6	L82 L83 T276	E72-L82 WeakPolarHBondContact O-CA 3.41Å; E72-L83 HydrophobicContact CB-CD2 4.26Å; E72-L83 HydrophobicContact CB-CG 4.02Å; E72-L83 PolarHBondContact N-O 3.25Å; E72-L83 PolarHBondContact O-N 3.43Å; E72-T276 VanDerWaalsContact OE2-CB 3.27Å; E72-T276 WeakPolarHBondContact OE2-CB 3.22Å; E72-T276 VanDerWaalsContact OE2-CG2 3.3Å; E72-T276 WeakPolarHBondContact OE2-CG2 3.13Å
73	A	98.8	Very high	96.9	Very high	3 Å²	3	41.6 Å²	41.6	3%	0.025	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	144.5	177	0	0	0	0	0	110.6	C49 C53 M81 L82 L275 T276	C49-A73 HydrophobicContact CB-CB 3.82Å; C53-A73 VanDerWaalsContact SG-CB 3.51Å; C53-A73 PolarHBondContact SG-N 3.06Å; C53-A73 VanDerWaalsContact SG-N 3.35Å; A73-M81 CarbonylContact C-O 3.58Å; A73-M81 VanDerWaalsContact CA-O 3.24Å; A73-M81 WeakPolarHBondContact CA-O 3.45Å; A73-L82 HydrophobicContact CB-CD2 3.75Å; A73-L275 WeakPolarHBondContact O-CA 3.31Å; A73-T276 PolarHBondContact N-OG1 3.27Å; A73-T276 PolarHBondContact O-N 2.87Å; A73-T276 PolarHBondContact O-OG1 2.98Å
74	A	98.8	Very high	97	Very high	33 Å²	33	36.5 Å²	36.5	27%	0.273	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	132.6	168.9	0	0	0	0	0	109.5	I80 M81 G274 L275	A74-I80 CarbonylContact O-C 3.6Å; A74-I80 WeakPolarHBondContact O-CA 3.4Å; A74-M81 PolarHBondContact N-O 3.14Å; A74-M81 PolarHBondContact O-N 2.78Å; A74-G274 CarbonylContact C-O 3.51Å; A74-G274 VanDerWaalsContact CA-O 3.26Å; A74-G274 WeakPolarHBondContact CA-O 3.3Å; A74-L275 HydrophobicContact CB-CG 4.41Å
75	A	98.7	Very high	97	Very high	4 Å²	4	39.5 Å²	39.5	3%	0.033	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	139.4	-177.8	0	0	0	0	0	111.5	L48 L79 P269 A273 G274	L48-A75 HydrophobicContact CD2-CB 4.31Å; A75-L79 WeakPolarHBondContact CA-O 3.48Å; A75-P269 HydrophobicContact CB-CB 4.26Å; A75-P269 HydrophobicContact CB-CG 3.99Å; A75-A273 CarbonylContact O-C 3.59Å; A75-A273 WeakPolarHBondContact O-CA 3.06Å; A75-G274 PolarHBondContact N-O 2.76Å; A75-G274 PolarHBondContact O-N 3.35Å
76	K	98.3	Very high	97.1	Very high	81 Å²	81	36.9 Å²	36.9	35%	0.352	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	178.9	169.7	-167.6	63	-161.1	90.6	0	109.1	G78 L79 F114 P269 M270 A273	K76-G78 PolarHBondContact O-N 2.99Å; K76-L79 PolarHBondContact N-O 3.26Å; K76-L79 PolarHBondContact O-N 3.36Å; K76-F114 WeakPolarHBondContact O-CE2 3.34Å; K76-P269 CarbonylContact C-O 3.51Å; K76-P269 PolarHBondContact NZ-O 2.79Å; K76-M270 PolarHBondContact NZ-O 3.18Å; K76-A273 HydrophobicContact CD-CB 3.91Å
77	T	97.7	Very high	97.2	Very high	83 Å²	83	33 Å²	33	51%	0.509	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-40.4	110.8	178.2	-46.3	0	0	0	0	112.4	L79 P269	T77-L79 VanDerWaalsContact C-N 3.27Å; T77-L79 PolarHBondContact O-N 2.86Å; T77-P269 PolarHBondContact N-O 3.43Å
78	G	97.7	Very high	97.2	Very high	31 Å²	31	33 Å²	33	32%	0.32	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	12	176.3	0	0	0	0	0	116	K76 N120	K76-G78 PolarHBondContact O-N 2.99Å; G78-N120 PolarHBondContact O-N 2.83Å; G78-N120 PolarHBondContact O-ND2 2.98Å; G78-N120 VanDerWaalsContact O-ND2 3.16Å
79	L	98.4	Very high	96.9	Very high	55 Å²	55	36.2 Å²	36.2	29%	0.288	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	134.8	-175.1	174.2	64.7	0	0	0	112.7	A75 K76 T77 N120 L122	A75-L79 WeakPolarHBondContact CA-O 3.48Å; K76-L79 PolarHBondContact N-O 3.26Å; K76-L79 PolarHBondContact O-N 3.36Å; T77-L79 VanDerWaalsContact C-N 3.27Å; T77-L79 PolarHBondContact O-N 2.86Å; L79-N120 WeakPolarHBondContact CA-O 3.2Å; L79-N120 HydrophobicContact CD1-CB 3.98Å; L79-L122 HydrophobicContact CD1-CB 4.2Å; L79-L122 HydrophobicContact CD1-CD1 3.51Å; L79-L122 HydrophobicContact CD1-CG 3.5Å; L79-L122 HydrophobicContact CD2-CD1 4.27Å
80	I	98.7	Very high	96.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	130.6	156.2	-172.1	167.3	0	0	0	109.4	L48 V52 A74 L82 I102 F114 N120 V121 L122	L48-I80 HydrophobicContact CD2-CD1 3.92Å; V52-I80 HydrophobicContact CB-CD1 4.24Å; V52-I80 HydrophobicContact CG1-CD1 3.97Å; V52-I80 HydrophobicContact CG2-CD1 3.95Å; A74-I80 CarbonylContact O-C 3.6Å; A74-I80 WeakPolarHBondContact O-CA 3.4Å; I80-L82 HydrophobicContact CD1-CD2 4.34Å; I80-L82 HydrophobicContact CG1-CD2 4.3Å; I80-I102 HydrophobicContact CD1-CD1 4.26Å; I80-I102 HydrophobicContact CG2-CD1 4.11Å; I80-F114 HydrophobicContact CB-CZ 4.35Å; I80-N120 PolarHBondContact N-O 3.41Å; I80-V121 HydrophobicContact CG2-CB 4.3Å; I80-V121 HydrophobicContact CG2-CG1 4.25Å; I80-V121 HydrophobicContact CG2-CG2 3.81Å; I80-V121 CarbonylContact O-C 3.52Å; I80-V121 WeakPolarHBondContact O-CA 3.34Å; I80-L122 PolarHBondContact O-N 2.86Å
81	M	98.7	Very high	96.6	Very high	68 Å²	68	44.8 Å²	44.8	34%	0.335	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126.5	175.3	179.5	178.2	177.5	0	0	109	A73 A74 L83 L122 A124	A73-M81 CarbonylContact C-O 3.58Å; A73-M81 VanDerWaalsContact CA-O 3.24Å; A73-M81 WeakPolarHBondContact CA-O 3.45Å; A74-M81 PolarHBondContact N-O 3.14Å; A74-M81 PolarHBondContact O-N 2.78Å; M81-L83 HydrophobicContact CE-CB 4.37Å; M81-L83 HydrophobicContact CG-CD2 4.28Å; M81-L122 CarbonylContact C-O 3.51Å; M81-L122 WeakPolarHBondContact CA-O 3.5Å; M81-L122 HydrophobicContact CB-CB 4.26Å; M81-L122 HydrophobicContact CG-CB 4.19Å; M81-A124 HydrophobicContact CE-CB 3.57Å
82	L	98.7	Very high	96.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	129.6	173.8	-54.9	177.2	0	0	0	108.9	V52 I56 E72 A73 I80 Y94 A98 V121 L122 L123 A124 I125	V52-L82 HydrophobicContact CG1-CD2 3.72Å; I56-L82 HydrophobicContact CD1-CD1 3.6Å; I56-L82 HydrophobicContact CD1-CD2 3.96Å; I56-L82 HydrophobicContact CD1-CG 4.34Å; E72-L82 WeakPolarHBondContact O-CA 3.41Å; A73-L82 HydrophobicContact CB-CD2 3.75Å; I80-L82 HydrophobicContact CD1-CD2 4.34Å; I80-L82 HydrophobicContact CG1-CD2 4.3Å; L82-Y94 HydrophobicContact CD1-CD1 4.2Å; L82-A98 HydrophobicContact CD1-CB 4.2Å; L82-V121 HydrophobicContact CD1-CG1 4.36Å; L82-L122 PolarHBondContact N-O 2.99Å; L82-L123 HydrophobicContact CB-CD2 3.95Å; L82-L123 HydrophobicContact CD1-CD2 3.7Å; L82-L123 HydrophobicContact CG-CD2 4.2Å; L82-A124 PolarHBondContact O-N 3.04Å; L82-I125 HydrophobicContact CB-CD1 4.48Å; L82-I125 HydrophobicContact CB-CG1 4.48Å
83	L	98.2	Very high	96.5	Very high	61 Å²	61	48 Å²	48	32%	0.319	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	162.3	-177	62.8	146	0	0	0	111.8	E72 M81 A124 I125	E72-L83 HydrophobicContact CB-CD2 4.26Å; E72-L83 HydrophobicContact CB-CG 4.02Å; E72-L83 PolarHBondContact N-O 3.25Å; E72-L83 PolarHBondContact O-N 3.43Å; M81-L83 HydrophobicContact CE-CB 4.37Å; M81-L83 HydrophobicContact CG-CD2 4.28Å; L83-A124 WeakPolarHBondContact CA-O 3.4Å; L83-A124 HydrophobicContact CB-CB 4.04Å; L83-I125 WeakPolarHBondContact O-CD1 3.42Å
84	G	97	Very high	96.4	Very high	29 Å²	29	49 Å²	49	30%	0.299	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	126.2	-147.2	177.6	0	0	0	0	0	113.4	S70 A124 T126	S70-G84 CarbonylContact O-C 3.44Å; S70-G84 WeakPolarHBondContact O-CA 3.42Å; G84-A124 PolarHBondContact N-O 2.94Å; G84-T126 PolarHBondContact O-N 2.72Å
85	K	95.1	Very high	96.4	Very high	90 Å²	90	51.3 Å²	51.3	39%	0.391	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	137.3	-170.8	-175.7	-177.7	172.2	-163.6	0	111.8	S70 E87 T126	S70-K85 PolarHBondContact N-O 2.78Å; S70-K85 PolarHBondContact O-N 3.12Å; K85-E87 WeakPolarHBondContact CE-OE1 3.49Å; K85-E87 IonicContact NZ-OE1 2.81Å; K85-E87 PolarHBondContact NZ-OE1 3.35Å; K85-T126 WeakPolarHBondContact CA-O 3.49Å
86	V	95.3	Very high	96.4	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	134.6	171.9	-179.9	0	0	0	0	111.4	Y60 K68 V69 Y94 I125 T126 H127 S128	Y60-V86 HydrophobicContact CD1-CG1 4.04Å; Y60-V86 HydrophobicContact CD2-CG1 4.35Å; Y60-V86 HydrophobicContact CE1-CG1 3.61Å; Y60-V86 HydrophobicContact CE2-CG1 3.96Å; Y60-V86 HydrophobicContact CE2-CG2 4.05Å; Y60-V86 HydrophobicContact CG-CG1 4.4Å; K68-V86 CarbonylContact O-C 3.54Å; K68-V86 VanDerWaalsContact O-CA 3.27Å; K68-V86 WeakPolarHBondContact O-CA 3.41Å; V69-V86 HydrophobicContact CG1-CG2 4.16Å; V69-V86 HydrophobicContact CG2-CG1 4.24Å; V69-V86 HydrophobicContact CG2-CG2 4.42Å; V86-Y94 VanDerWaalsContact CG2-OH 3.31Å; V86-Y94 WeakPolarHBondContact CG2-OH 3.32Å; V86-I125 HydrophobicContact CG2-CG2 4.13Å; V86-T126 PolarHBondContact N-O 3.05Å; V86-H127 CarbonylContact O-C 3.55Å; V86-H127 WeakPolarHBondContact O-CA 3.32Å; V86-S128 PolarHBondContact O-N 2.99Å
87	E	94.1	Very high	96.4	Very high	20 Å²	20	53.2 Å²	53.2	9%	0.093	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	107.7	165.1	-35.8	-170.7	168.6	0	0	109.8	K68 K85 S128 R132	K68-E87 HydrophobicContact CB-CB 3.97Å; K68-E87 HydrophobicContact CB-CG 4.14Å; K68-E87 HydrophobicContact CG-CB 4.49Å; K68-E87 PolarHBondContact N-O 2.85Å; K68-E87 PolarHBondContact O-N 2.91Å; K85-E87 WeakPolarHBondContact CE-OE1 3.49Å; K85-E87 IonicContact NZ-OE1 2.81Å; K85-E87 PolarHBondContact NZ-OE1 3.35Å; E87-S128 VanDerWaalsContact CA-O 3.23Å; E87-S128 WeakPolarHBondContact CA-O 2.88Å; E87-S128 WeakPolarHBondContact CG-OG 3.45Å; E87-R132 PolarHBondContact OE2-N 2.8Å
88	S	93	Very high	96.4	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.021	25%	0.254	C	S	.	.			trans	-164.8	158.6	179.5	-177.3	0	0	0	0	110.1	D64 A90 H127 S128	D64-S88 WeakPolarHBondContact CB-OG 3.49Å; D64-S88 WeakPolarHBondContact OD2-CB 3.4Å; D64-S88 PolarHBondContact OD2-OG 2.97Å; S88-A90 WeakPolarHBondContact OG-CB 3.49Å; S88-A90 PolarHBondContact OG-N 3.25Å; S88-H127 PolarHBondContact O-CE1 2.89Å; S88-S128 PolarHBondContact N-O 2.61Å; S88-S128 VanDerWaalsContact N-O 3.16Å
89	T	88.6	Confident	96.5	Very high	105 Å²	105	49.8 Å²	49.8	64%	0.644	25%	0.246	S	C	*	.	S	Bend	trans	-86.8	-15	167.2	53.2	0	0	0	0	112.6
90	A	93.5	Very high	96.5	Very high	10 Å²	10	51.1 Å²	51.1	8%	0.083	25%	0.254	C	S	.	.			trans	-65.8	147.9	179.4	0	0	0	0	0	112	Y60 E63 D64 S88 I92	Y60-A90 HydrophobicContact CD1-CB 3.97Å; Y60-A90 HydrophobicContact CE1-CB 4.13Å; E63-A90 HydrophobicContact CB-CB 3.59Å; E63-A90 HydrophobicContact CG-CB 4.4Å; D64-A90 HydrophobicContact CB-CB 4.19Å; S88-A90 WeakPolarHBondContact OG-CB 3.49Å; S88-A90 PolarHBondContact OG-N 3.25Å; A90-I92 HydrophobicContact CB-CD1 4.48Å
91	R	93.2	Very high	96.5	Very high	209 Å²	209	51.2 Å²	51.2	79%	0.789	25%	0.254	S	S	*	.			trans	-113.4	105.2	176.2	-67.8	-67.1	-175.2	173.8	0.1	108.7
92	I	96.7	Very high	96.5	Very high	28 Å²	28	48 Å²	48	14%	0.144	24%	0.238	C	C	.	.			trans	-106.1	133.5	-179.4	-56.2	-53.9	0	0	0	109.5	A59 Y60 E63 A90 Y94 V97	A59-I92 HydrophobicContact CB-CD1 4.06Å; A59-I92 HydrophobicContact CB-CG1 4.35Å; A59-I92 HydrophobicContact CB-CG2 3.77Å; A59-I92 WeakPolarHBondContact O-CD1 3.29Å; Y60-I92 HydrophobicContact CD1-CG1 3.74Å; Y60-I92 HydrophobicContact CD2-CB 4.4Å; Y60-I92 HydrophobicContact CD2-CG1 3.82Å; Y60-I92 HydrophobicContact CE1-CB 4.39Å; Y60-I92 HydrophobicContact CE1-CG1 3.63Å; Y60-I92 HydrophobicContact CE2-CB 3.9Å; Y60-I92 HydrophobicContact CE2-CG1 3.71Å; Y60-I92 HydrophobicContact CE2-CG2 4.47Å; Y60-I92 HydrophobicContact CG-CG1 3.82Å; E63-I92 HydrophobicContact CG-CD1 4.11Å; A90-I92 HydrophobicContact CB-CD1 4.48Å; I92-Y94 WeakPolarHBondContact O-CD2 3.48Å; I92-Y94 PolarHBondContact O-N 3.09Å; I92-V97 HydrophobicContact CG2-CG2 3.98Å
93	D	97.4	Very high	96.5	Very high	96 Å²	96	50.4 Å²	50.4	51%	0.513	25%	0.251	S	S	.	.			trans	-80.7	93.5	169.3	-172.2	-22.9	0	0	0	109.6	E95 Q96 V97	D93-E95 VanDerWaalsContact C-N 3.27Å; D93-E95 PolarHBondContact O-N 3.35Å; D93-E95 PolarHBondContact OD1-N 3.48Å; D93-E95 VanDerWaalsContact OD1-N 3.12Å; D93-Q96 HydrophobicContact CB-CB 3.96Å; D93-Q96 VanDerWaalsContact CG-CB 3.45Å; D93-Q96 PolarHBondContact O-N 3.07Å; D93-Q96 PolarHBondContact OD1-N 2.98Å; D93-V97 VanDerWaalsContact O-CG2 3.29Å; D93-V97 WeakPolarHBondContact O-CG2 3.4Å; D93-V97 PolarHBondContact O-N 3.24Å
94	Y	97.7	Very high	96.4	Very high	23 Å²	23	51.6 Å²	51.6	9%	0.09	25%	0.251	C	S	.	.	H	α-helix	trans	-58	-39.2	-179.9	-72	-95.5	0	0	0	112.8	I56 Y60 L82 V86 I92 A98 L123 I125	I56-Y94 HydrophobicContact CD1-CD1 4.07Å; I56-Y94 HydrophobicContact CG1-CD1 4.33Å; I56-Y94 HydrophobicContact CG2-CD1 4.01Å; I56-Y94 HydrophobicContact CG2-CE1 3.71Å; Y60-Y94 HydrophobicContact CE2-CE1 4.14Å; Y60-Y94 HydrophobicContact CE2-CE2 4.36Å; Y60-Y94 AromaticContact CE2-CZ 3.68Å; Y60-Y94 WeakPolarHBondContact CE2-OH 3.28Å; Y60-Y94 AromaticContact CZ-CZ 3.95Å; Y60-Y94 VanDerWaalsContact CZ-OH 3.28Å; Y60-Y94 WeakPolarHBondContact OH-CE2 3.5Å; Y60-Y94 PolarHBondContact OH-OH 3.06Å; L82-Y94 HydrophobicContact CD1-CD1 4.2Å; V86-Y94 VanDerWaalsContact CG2-OH 3.31Å; V86-Y94 WeakPolarHBondContact CG2-OH 3.32Å; I92-Y94 WeakPolarHBondContact O-CD2 3.48Å; I92-Y94 PolarHBondContact O-N 3.09Å; Y94-A98 VanDerWaalsContact O-CB 3.31Å; Y94-A98 WeakPolarHBondContact O-CB 3.44Å; Y94-A98 PolarHBondContact O-N 3.3Å; Y94-L123 HydrophobicContact CG-CD2 4.22Å; Y94-I125 HydrophobicContact CD1-CG1 4.32Å; Y94-I125 HydrophobicContact CE1-CD1 4.2Å; Y94-I125 HydrophobicContact CE1-CG1 3.9Å; Y94-I125 HydrophobicContact CE1-CG2 4.27Å; Y94-I125 WeakPolarHBondContact OH-CG2 3.43Å
95	E	97.9	Very high	96.5	Very high	82 Å²	82	50.2 Å²	50.2	38%	0.383	24%	0.237	S	C	.	.	H	α-helix	trans	-66.9	-49.9	-178	177.9	169.5	176.8	0	0	110	D93 V97 A98 R99 V121	D93-E95 VanDerWaalsContact C-N 3.27Å; D93-E95 PolarHBondContact O-N 3.35Å; D93-E95 PolarHBondContact OD1-N 3.48Å; D93-E95 VanDerWaalsContact OD1-N 3.12Å; E95-V97 VanDerWaalsContact C-N 3.34Å; E95-V97 PolarHBondContact O-N 2.83Å; E95-A98 PolarHBondContact O-N 2.98Å; E95-R99 HydrophobicContact CG-CG 4.33Å; E95-R99 WeakPolarHBondContact O-CB 3.26Å; E95-R99 VanDerWaalsContact O-CG 3.3Å; E95-R99 WeakPolarHBondContact O-CG 3.43Å; E95-R99 PolarHBondContact O-N 3.17Å; E95-R99 IonicContact OE1-CZ 3.26Å; E95-R99 VanDerWaalsContact OE1-CZ 3.22Å; E95-R99 IonicContact OE1-NE 2.81Å; E95-R99 PolarHBondContact OE1-NE 3.38Å; E95-R99 IonicContact OE1-NH2 3.94Å; E95-R99 PolarHBondContact OE1-NH2 2.94Å; E95-V121 HydrophobicContact CB-CG1 4.41Å; E95-V121 HydrophobicContact CG-CB 4.13Å; E95-V121 HydrophobicContact CG-CG1 4.48Å; E95-V121 HydrophobicContact CG-CG2 4.08Å
96	Q	98.2	Very high	96.6	Very high	95 Å²	95	46.2 Å²	46.2	44%	0.444	22%	0.221	S	C	.	.	H	α-helix	trans	-61	-43.1	179	-170.4	65.5	65.9	0	0	111.9	D93 N100	D93-Q96 HydrophobicContact CB-CB 3.96Å; D93-Q96 VanDerWaalsContact CG-CB 3.45Å; D93-Q96 PolarHBondContact O-N 3.07Å; D93-Q96 PolarHBondContact OD1-N 2.98Å; Q96-N100 PolarHBondContact NE2-ND2 2.98Å; Q96-N100 PolarHBondContact NE2-OD1 3.38Å; Q96-N100 VanDerWaalsContact O-CB 3.26Å; Q96-N100 WeakPolarHBondContact O-CB 3.29Å; Q96-N100 PolarHBondContact O-N 3.28Å; Q96-N100 PolarHBondContact O-ND2 3.44Å
97	V	98.5	Very high	96.8	Very high	29 Å²	29	46.2 Å²	46.2	18%	0.176	22%	0.221	C	C	.	.	H	α-helix	trans	-62.8	-45	178	173.3	0	0	0	0	111.3	A55 I56 A59 I92 D93 E95 T101	A55-V97 HydrophobicContact CB-CG1 3.86Å; I56-V97 HydrophobicContact CG1-CB 4.47Å; I56-V97 HydrophobicContact CG1-CG1 3.87Å; A59-V97 HydrophobicContact CB-CG2 4.16Å; I92-V97 HydrophobicContact CG2-CG2 3.98Å; D93-V97 VanDerWaalsContact O-CG2 3.29Å; D93-V97 WeakPolarHBondContact O-CG2 3.4Å; D93-V97 PolarHBondContact O-N 3.24Å; E95-V97 VanDerWaalsContact C-N 3.34Å; E95-V97 PolarHBondContact O-N 2.83Å; V97-T101 WeakPolarHBondContact O-CB 3.18Å; V97-T101 PolarHBondContact O-N 2.9Å; V97-T101 PolarHBondContact O-OG1 3.28Å
98	A	98.6	Very high	96.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.7	-50.3	178	0	0	0	0	0	111.5	V52 L82 Y94 E95 N100 T101 I102	V52-A98 HydrophobicContact CG1-CB 3.94Å; L82-A98 HydrophobicContact CD1-CB 4.2Å; Y94-A98 VanDerWaalsContact O-CB 3.31Å; Y94-A98 WeakPolarHBondContact O-CB 3.44Å; Y94-A98 PolarHBondContact O-N 3.3Å; E95-A98 PolarHBondContact O-N 2.98Å; A98-N100 PolarHBondContact O-N 2.93Å; A98-T101 WeakPolarHBondContact O-CB 3.45Å; A98-T101 PolarHBondContact O-N 2.83Å; A98-T101 VanDerWaalsContact O-N 3.16Å; A98-I102 WeakPolarHBondContact O-CD1 3.24Å; A98-I102 VanDerWaalsContact O-CG1 3.25Å; A98-I102 WeakPolarHBondContact O-CG1 3.45Å; A98-I102 PolarHBondContact O-N 3.45Å
99	R	98.6	Very high	97.1	Very high	43 Å²	43	52.2 Å²	52.2	16%	0.162	25%	0.254	C	S	.	.	H	α-helix	trans	-59.3	-49.5	179.3	-69.3	-175.5	-177.6	-68	-2.6	111.8	E95 T101 I102 L103 G116 C119 V121	E95-R99 HydrophobicContact CG-CG 4.33Å; E95-R99 WeakPolarHBondContact O-CB 3.26Å; E95-R99 VanDerWaalsContact O-CG 3.3Å; E95-R99 WeakPolarHBondContact O-CG 3.43Å; E95-R99 PolarHBondContact O-N 3.17Å; E95-R99 IonicContact OE1-CZ 3.26Å; E95-R99 VanDerWaalsContact OE1-CZ 3.22Å; E95-R99 IonicContact OE1-NE 2.81Å; E95-R99 PolarHBondContact OE1-NE 3.38Å; E95-R99 IonicContact OE1-NH2 3.94Å; E95-R99 PolarHBondContact OE1-NH2 2.94Å; R99-T101 PolarHBondContact O-N 2.7Å; R99-I102 PolarHBondContact O-N 3.38Å; R99-L103 VanDerWaalsContact O-CG 3.29Å; R99-L103 WeakPolarHBondContact O-CG 3.46Å; R99-L103 PolarHBondContact O-N 3.32Å; R99-G116 VanDerWaalsContact CG-O 3.31Å; R99-G116 WeakPolarHBondContact CG-O 3.29Å; R99-G116 PolarHBondContact NH1-O 2.87Å; R99-C119 PolarHBondContact NH1-O 2.9Å; R99-C119 PolarHBondContact NH2-O 3.33Å; R99-V121 HydrophobicContact CG-CG2 4.25Å
100	N	98.5	Very high	97.5	Very high	82 Å²	82	50.7 Å²	50.7	44%	0.439	25%	0.248	S	C	.	.	H	α-helix	trans	-57.8	-37.8	177.5	-73.6	-10.1	0	0	0	112	Q96 A98 R104	Q96-N100 PolarHBondContact NE2-ND2 2.98Å; Q96-N100 PolarHBondContact NE2-OD1 3.38Å; Q96-N100 VanDerWaalsContact O-CB 3.26Å; Q96-N100 WeakPolarHBondContact O-CB 3.29Å; Q96-N100 PolarHBondContact O-N 3.28Å; Q96-N100 PolarHBondContact O-ND2 3.44Å; A98-N100 PolarHBondContact O-N 2.93Å; N100-R104 WeakPolarHBondContact O-CB 3.21Å; N100-R104 PolarHBondContact O-N 3.23Å
101	T	98.6	Very high	97.5	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.012	27%	0.267	C	S	.	.	H	α-helix	trans	-69	-45.4	178.4	-60	0	0	0	0	111.8	I51 V52 A55 V97 A98 R99 L103 R104 I105	I51-T101 HydrophobicContact CB-CG2 4.33Å; I51-T101 HydrophobicContact CG2-CG2 3.57Å; V52-T101 HydrophobicContact CG2-CG2 3.75Å; A55-T101 HydrophobicContact CB-CG2 4.37Å; A55-T101 WeakPolarHBondContact CB-OG1 3.16Å; V97-T101 WeakPolarHBondContact O-CB 3.18Å; V97-T101 PolarHBondContact O-N 2.9Å; V97-T101 PolarHBondContact O-OG1 3.28Å; A98-T101 WeakPolarHBondContact O-CB 3.45Å; A98-T101 PolarHBondContact O-N 2.83Å; A98-T101 VanDerWaalsContact O-N 3.16Å; R99-T101 PolarHBondContact O-N 2.7Å; T101-L103 PolarHBondContact O-N 3.45Å; T101-R104 PolarHBondContact O-N 3.31Å; T101-I105 HydrophobicContact CG2-CD1 4.2Å; T101-I105 WeakPolarHBondContact O-CG1 3.4Å; T101-I105 PolarHBondContact O-N 2.98Å
102	I	98.6	Very high	97.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-60.8	-44.8	177.1	-66.7	158.9	0	0	0	110.9	L48 V52 I80 A98 R99 I105 G106 Y107 F114	L48-I102 HydrophobicContact CD1-CG1 4.43Å; L48-I102 HydrophobicContact CD2-CG1 4.37Å; V52-I102 HydrophobicContact CG2-CG1 4.32Å; I80-I102 HydrophobicContact CD1-CD1 4.26Å; I80-I102 HydrophobicContact CG2-CD1 4.11Å; A98-I102 WeakPolarHBondContact O-CD1 3.24Å; A98-I102 VanDerWaalsContact O-CG1 3.25Å; A98-I102 WeakPolarHBondContact O-CG1 3.45Å; A98-I102 PolarHBondContact O-N 3.45Å; R99-I102 PolarHBondContact O-N 3.38Å; I102-I105 WeakPolarHBondContact O-CB 3.46Å; I102-I105 PolarHBondContact O-N 2.78Å; I102-G106 PolarHBondContact O-N 3.39Å; I102-Y107 PolarHBondContact O-N 2.84Å; I102-F114 HydrophobicContact CD1-CE1 3.8Å; I102-F114 HydrophobicContact CG1-CE1 4.13Å; I102-F114 HydrophobicContact CG2-CD1 3.7Å; I102-F114 HydrophobicContact CG2-CE1 3.86Å
103	L	98.5	Very high	97.7	Very high	52 Å²	52	44.7 Å²	44.7	27%	0.272	24%	0.235	S	C	.	.	H	α-helix	trans	-62.1	-44.4	176.1	-67.3	174.9	0	0	0	111.5	R99 T101 I105 G106 D108 N117	R99-L103 VanDerWaalsContact O-CG 3.29Å; R99-L103 WeakPolarHBondContact O-CG 3.46Å; R99-L103 PolarHBondContact O-N 3.32Å; T101-L103 PolarHBondContact O-N 3.45Å; L103-I105 VanDerWaalsContact C-N 3.28Å; L103-I105 PolarHBondContact O-N 3.29Å; L103-G106 WeakPolarHBondContact O-CA 3.47Å; L103-G106 PolarHBondContact O-N 2.74Å; L103-D108 HydrophobicContact CD2-CB 3.96Å; L103-N117 WeakPolarHBondContact CD2-ND2 3.18Å
104	R	97.7	Very high	97.7	Very high	85 Å²	85	40.4 Å²	40.4	32%	0.321	21%	0.212	S	C	.	.	H	α-helix	trans	-63.1	-32.6	177	-166.4	-125.9	54.3	-164.3	11.2	113	N100 T101 G106 R386 E390	N100-R104 WeakPolarHBondContact O-CB 3.21Å; N100-R104 PolarHBondContact O-N 3.23Å; T101-R104 PolarHBondContact O-N 3.31Å; R104-G106 PolarHBondContact O-N 3Å; R104-R386 VanDerWaalsContact NH1-CZ 3.31Å; R104-R386 VanDerWaalsContact NH1-NH2 3.18Å; R104-E390 IonicContact CZ-OE1 3.3Å; R104-E390 IonicContact NH1-OE1 2.65Å; R104-E390 PolarHBondContact NH1-OE1 3.31Å; R104-E390 VanDerWaalsContact NH2-CD 3.28Å; R104-E390 IonicContact NH2-OE1 2.6Å; R104-E390 PolarHBondContact NH2-OE1 3.5Å; R104-E390 IonicContact NH2-OE2 2.98Å; R104-E390 PolarHBondContact NH2-OE2 3.5Å
105	I	98	Very high	97.7	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-65.3	-25.8	173.9	-72.5	165.9	0	0	0	111	V42 L48 I51 T101 I102 L103 Y107 R182 P192	V42-I105 HydrophobicContact CB-CG1 4.48Å; V42-I105 HydrophobicContact CG2-CG2 4.27Å; V42-I105 WeakPolarHBondContact O-CG2 3.43Å; L48-I105 HydrophobicContact CB-CD1 4.25Å; L48-I105 HydrophobicContact CD1-CD1 4.39Å; L48-I105 HydrophobicContact CG-CD1 3.98Å; I51-I105 HydrophobicContact CB-CD1 4.35Å; I51-I105 HydrophobicContact CD1-CD1 3.95Å; I51-I105 HydrophobicContact CD1-CG1 4.31Å; I51-I105 HydrophobicContact CG2-CD1 4.36Å; T101-I105 HydrophobicContact CG2-CD1 4.2Å; T101-I105 WeakPolarHBondContact O-CG1 3.4Å; T101-I105 PolarHBondContact O-N 2.98Å; I102-I105 WeakPolarHBondContact O-CB 3.46Å; I102-I105 PolarHBondContact O-N 2.78Å; L103-I105 VanDerWaalsContact C-N 3.28Å; L103-I105 PolarHBondContact O-N 3.29Å; I105-Y107 HydrophobicContact CG2-CD2 3.77Å; I105-Y107 HydrophobicContact CG2-CE2 3.94Å; I105-R182 PolarHBondContact O-NH1 3.46Å; I105-R182 PolarHBondContact O-NH2 3.43Å; I105-R182 VanDerWaalsContact O-NH2 3.1Å; I105-P192 HydrophobicContact CG2-CB 4.11Å
106	G	97.8	Very high	97.7	Very high	6 Å²	6	36.1 Å²	36.1	6%	0.062	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	108.5	11.4	177.6	0	0	0	0	0	114.4	I102 L103 R104 D108 K112 P192	I102-G106 PolarHBondContact O-N 3.39Å; L103-G106 WeakPolarHBondContact O-CA 3.47Å; L103-G106 PolarHBondContact O-N 2.74Å; R104-G106 PolarHBondContact O-N 3Å; G106-D108 VanDerWaalsContact C-N 3.31Å; G106-D108 PolarHBondContact O-N 2.82Å; G106-K112 WeakPolarHBondContact O-CD 3.14Å; G106-K112 PolarHBondContact O-NZ 3.23Å; G106-K112 VanDerWaalsContact O-NZ 3.16Å; G106-P192 WeakPolarHBondContact O-CG 3.45Å
107	Y	98.3	Very high	97.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.196	C	C	.	.			trans	-87.3	73.5	168.7	-72.4	-60.7	0	0	0	109.6	G43 L48 I102 I105 K112 F114 D115 G116 P192 G268	G43-Y107 WeakPolarHBondContact O-CE2 3.41Å; G43-Y107 PolarHBondContact O-OH 3.09Å; L48-Y107 HydrophobicContact CD1-CD2 3.58Å; L48-Y107 HydrophobicContact CD1-CE2 3.71Å; I102-Y107 PolarHBondContact O-N 2.84Å; I105-Y107 HydrophobicContact CG2-CD2 3.77Å; I105-Y107 HydrophobicContact CG2-CE2 3.94Å; Y107-K112 HydrophobicContact CD1-CB 4.08Å; Y107-K112 HydrophobicContact CE1-CB 4.44Å; Y107-K112 WeakPolarHBondContact CE1-O 3.48Å; Y107-F114 WeakPolarHBondContact CB-O 3.44Å; Y107-F114 HydrophobicContact CD1-CB 3.69Å; Y107-F114 HydrophobicContact CD2-CB 4.44Å; Y107-F114 HydrophobicContact CD2-CD1 4.5Å; Y107-F114 HydrophobicContact CE1-CB 4.19Å; Y107-F114 HydrophobicContact CG-CB 3.85Å; Y107-F114 HydrophobicContact CG-CD1 4.4Å; Y107-D115 WeakPolarHBondContact O-CA 3.42Å; Y107-G116 PolarHBondContact O-N 3.01Å; Y107-P192 HydrophobicContact CD1-CG 4.02Å; Y107-P192 HydrophobicContact CD2-CB 4.33Å; Y107-P192 HydrophobicContact CD2-CG 4.41Å; Y107-P192 HydrophobicContact CE1-CB 4.1Å; Y107-P192 HydrophobicContact CE1-CG 3.93Å; Y107-P192 HydrophobicContact CE2-CB 3.89Å; Y107-P192 HydrophobicContact CE2-CG 4.35Å; Y107-P192 HydrophobicContact CG-CG 4.25Å; Y107-G268 WeakPolarHBondContact OH-CA 3.49Å; Y107-G268 PolarHBondContact OH-N 3.43Å
108	D	97.3	Very high	97.7	Very high	75 Å²	75	39.1 Å²	39.1	40%	0.401	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	0.4	-176.3	57.5	5.7	0	0	0	113.1	L103 G106 K112 N117	L103-D108 HydrophobicContact CD2-CB 3.96Å; G106-D108 VanDerWaalsContact C-N 3.31Å; G106-D108 PolarHBondContact O-N 2.82Å; D108-K112 VanDerWaalsContact CG-NZ 3.34Å; D108-K112 WeakPolarHBondContact OD1-CD 3.47Å; D108-K112 VanDerWaalsContact OD1-CE 3.29Å; D108-K112 WeakPolarHBondContact OD1-CE 3.5Å; D108-K112 IonicContact OD1-NZ 3.77Å; D108-K112 PolarHBondContact OD1-NZ 3.49Å; D108-K112 IonicContact OD2-NZ 3.58Å; D108-K112 PolarHBondContact OD2-NZ 3.24Å; D108-N117 PolarHBondContact O-ND2 2.92Å
109	D	96.7	Very high	97.7	Very high	75 Å²	75	39.2 Å²	39.2	40%	0.401	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	133.5	-176.7	-177.7	-83.4	0	0	0	110.4	S111 K112 F114	D109-S111 PolarHBondContact O-N 2.69Å; D109-S111 VanDerWaalsContact O-N 3.1Å; D109-S111 WeakPolarHBondContact OD1-CA 3.42Å; D109-S111 WeakPolarHBondContact OD1-CB 3.46Å; D109-S111 PolarHBondContact OD1-N 2.9Å; D109-S111 PolarHBondContact OD1-OG 2.92Å; D109-K112 HydrophobicContact CB-CD 4.5Å; D109-K112 WeakPolarHBondContact O-CB 3.26Å; D109-K112 PolarHBondContact O-N 3.13Å; D109-F114 VanDerWaalsContact O-O 3.11Å
110	S	96.3	Very high	97.7	Very high	73 Å²	73	42.2 Å²	42.2	51%	0.51	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-59.5	-25.4	-176	-71.5	0	0	0	0	113.9	K112 G113 D115	S110-K112 PolarHBondContact O-N 2.96Å; S110-G113 PolarHBondContact O-N 2.89Å; S110-D115 PolarHBondContact OG-OD2 3Å
111	S	95	Very high	97.7	Very high	69 Å²	69	39.2 Å²	39.2	48%	0.483	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-64.6	-18.7	175.9	75.8	0	0	0	0	113.3	D109 G113 R191	D109-S111 PolarHBondContact O-N 2.69Å; D109-S111 VanDerWaalsContact O-N 3.1Å; D109-S111 WeakPolarHBondContact OD1-CA 3.42Å; D109-S111 WeakPolarHBondContact OD1-CB 3.46Å; D109-S111 PolarHBondContact OD1-N 2.9Å; D109-S111 PolarHBondContact OD1-OG 2.92Å; S111-G113 VanDerWaalsContact C-N 3.26Å; S111-R191 VanDerWaalsContact O-CZ 3.23Å; S111-R191 PolarHBondContact O-NH1 2.93Å; S111-R191 PolarHBondContact O-NH2 3.38Å
112	K	97	Very high	97.7	Very high	46 Å²	46	43.5 Å²	43.5	20%	0.2	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-82.2	-1.7	175.8	-60.2	176.5	176.8	176.7	0	112.8	G106 Y107 D108 D109 S110 R191 Q222	G106-K112 WeakPolarHBondContact O-CD 3.14Å; G106-K112 PolarHBondContact O-NZ 3.23Å; G106-K112 VanDerWaalsContact O-NZ 3.16Å; Y107-K112 HydrophobicContact CD1-CB 4.08Å; Y107-K112 HydrophobicContact CE1-CB 4.44Å; Y107-K112 WeakPolarHBondContact CE1-O 3.48Å; D108-K112 VanDerWaalsContact CG-NZ 3.34Å; D108-K112 WeakPolarHBondContact OD1-CD 3.47Å; D108-K112 VanDerWaalsContact OD1-CE 3.29Å; D108-K112 WeakPolarHBondContact OD1-CE 3.5Å; D108-K112 IonicContact OD1-NZ 3.77Å; D108-K112 PolarHBondContact OD1-NZ 3.49Å; D108-K112 IonicContact OD2-NZ 3.58Å; D108-K112 PolarHBondContact OD2-NZ 3.24Å; D109-K112 HydrophobicContact CB-CD 4.5Å; D109-K112 WeakPolarHBondContact O-CB 3.26Å; D109-K112 PolarHBondContact O-N 3.13Å; S110-K112 PolarHBondContact O-N 2.96Å; K112-R191 HydrophobicContact CG-CG 4.45Å; K112-Q222 PolarHBondContact O-NE2 3.38Å
113	G	95.9	Very high	97.6	Very high	6 Å²	6	48 Å²	48	6%	0.062	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.6	-3.5	179.9	0	0	0	0	0	114.3	S110 S111 M270	S110-G113 PolarHBondContact O-N 2.89Å; S111-G113 VanDerWaalsContact C-N 3.26Å; G113-M270 WeakPolarHBondContact O-CB 3.31Å; G113-M270 PolarHBondContact O-N 3.26Å
114	F	98.2	Very high	97.6	Very high	6 Å²	6	47.9 Å²	47.9	3%	0.026	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	154.5	172.3	-156.4	-122.1	0	0	0	109.6	L48 K76 I80 I102 Y107 D109 C119 P269	L48-F114 HydrophobicContact CD1-CD1 4.14Å; L48-F114 HydrophobicContact CD1-CE1 4.32Å; K76-F114 WeakPolarHBondContact O-CE2 3.34Å; I80-F114 HydrophobicContact CB-CZ 4.35Å; I102-F114 HydrophobicContact CD1-CE1 3.8Å; I102-F114 HydrophobicContact CG1-CE1 4.13Å; I102-F114 HydrophobicContact CG2-CD1 3.7Å; I102-F114 HydrophobicContact CG2-CE1 3.86Å; Y107-F114 WeakPolarHBondContact CB-O 3.44Å; Y107-F114 HydrophobicContact CD1-CB 3.69Å; Y107-F114 HydrophobicContact CD2-CB 4.44Å; Y107-F114 HydrophobicContact CD2-CD1 4.5Å; Y107-F114 HydrophobicContact CE1-CB 4.19Å; Y107-F114 HydrophobicContact CG-CB 3.85Å; Y107-F114 HydrophobicContact CG-CD1 4.4Å; D109-F114 VanDerWaalsContact O-O 3.11Å; F114-C119 HydrophobicContact CE1-CB 4.38Å; F114-C119 HydrophobicContact CE2-CB 3.94Å; F114-C119 HydrophobicContact CZ-CB 3.78Å; F114-P269 HydrophobicContact CB-CB 4.48Å; F114-P269 HydrophobicContact CB-CG 4.14Å; F114-P269 HydrophobicContact CD1-CG 3.88Å; F114-P269 HydrophobicContact CD2-CB 3.59Å; F114-P269 HydrophobicContact CD2-CG 3.75Å; F114-P269 HydrophobicContact CE1-CG 4.15Å; F114-P269 HydrophobicContact CE2-CB 3.84Å; F114-P269 HydrophobicContact CE2-CG 4.03Å; F114-P269 HydrophobicContact CG-CB 4.02Å; F114-P269 HydrophobicContact CG-CG 3.67Å; F114-P269 HydrophobicContact CZ-CB 4.47Å; F114-P269 HydrophobicContact CZ-CG 4.23Å
115	D	98.2	Very high	97.5	Very high	14 Å²	14	45.4 Å²	45.4	8%	0.075	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	113.9	-172.8	178.2	1.8	0	0	0	110.6	Y107 S110 N117 T118 C119	Y107-D115 WeakPolarHBondContact O-CA 3.42Å; S110-D115 PolarHBondContact OG-OD2 3Å; D115-N117 PolarHBondContact O-N 3.25Å; D115-N117 VanDerWaalsContact OD1-CB 3.26Å; D115-N117 WeakPolarHBondContact OD1-CB 3.33Å; D115-N117 PolarHBondContact OD1-N 2.85Å; D115-N117 PolarHBondContact OD1-ND2 3.28Å; D115-T118 WeakPolarHBondContact CB-OG1 3.41Å; D115-T118 PolarHBondContact O-N 3.2Å; D115-T118 WeakPolarHBondContact OD2-CG2 3.38Å; D115-T118 PolarHBondContact OD2-OG1 3.48Å; D115-C119 VanDerWaalsContact O-CB 3.26Å; D115-C119 WeakPolarHBondContact O-CB 3.41Å; D115-C119 PolarHBondContact O-N 3.45Å; D115-C119 PolarHBondContact O-SG 3.47Å
116	G	98.2	Very high	97.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-19.6	179.3	0	0	0	0	0	113.9	R99 Y107	R99-G116 VanDerWaalsContact CG-O 3.31Å; R99-G116 WeakPolarHBondContact CG-O 3.29Å; R99-G116 PolarHBondContact NH1-O 2.87Å; Y107-G116 PolarHBondContact O-N 3.01Å
117	N	97.9	Very high	97	Very high	97 Å²	97	52.6 Å²	52.6	52%	0.519	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-29.8	177.8	-57.2	-65.1	0	0	0	112.3	L103 D108 D115	L103-N117 WeakPolarHBondContact CD2-ND2 3.18Å; D108-N117 PolarHBondContact O-ND2 2.92Å; D115-N117 PolarHBondContact O-N 3.25Å; D115-N117 VanDerWaalsContact OD1-CB 3.26Å; D115-N117 WeakPolarHBondContact OD1-CB 3.33Å; D115-N117 PolarHBondContact OD1-N 2.85Å; D115-N117 PolarHBondContact OD1-ND2 3.28Å
118	T	97.7	Very high	96.6	Very high	90 Å²	90	54.2 Å²	54.2	55%	0.552	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.6	-14.9	-167.6	60.1	0	0	0	0	114.1	D115	D115-T118 WeakPolarHBondContact CB-OG1 3.41Å; D115-T118 PolarHBondContact O-N 3.2Å; D115-T118 WeakPolarHBondContact OD2-CG2 3.38Å; D115-T118 PolarHBondContact OD2-OG1 3.48Å
119	C	98.2	Very high	95.7	Very high	3 Å²	3	54.2 Å²	54.2	2%	0.02	32%	0.32	C	S	.	.	S	Bend	trans	-61.8	148	178.7	69.9	0	0	0	0	112	R99 F114 D115	R99-C119 PolarHBondContact NH1-O 2.9Å; R99-C119 PolarHBondContact NH2-O 3.33Å; F114-C119 HydrophobicContact CE1-CB 4.38Å; F114-C119 HydrophobicContact CE2-CB 3.94Å; F114-C119 HydrophobicContact CZ-CB 3.78Å; D115-C119 VanDerWaalsContact O-CB 3.26Å; D115-C119 WeakPolarHBondContact O-CB 3.41Å; D115-C119 PolarHBondContact O-N 3.45Å; D115-C119 PolarHBondContact O-SG 3.47Å
120	N	98.4	Very high	94.4	Very high	105 Å²	105	54.8 Å²	54.8	56%	0.561	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.5	135.5	169	-65	-72.8	0	0	0	109.7	G78 L79 I80	G78-N120 PolarHBondContact O-N 2.83Å; G78-N120 PolarHBondContact O-ND2 2.98Å; G78-N120 VanDerWaalsContact O-ND2 3.16Å; L79-N120 WeakPolarHBondContact CA-O 3.2Å; L79-N120 HydrophobicContact CD1-CB 3.98Å; I80-N120 PolarHBondContact N-O 3.41Å
121	V	98.5	Very high	92.6	Very high	20 Å²	20	55.9 Å²	55.9	12%	0.121	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	112.4	170.8	-175.8	0	0	0	0	108.1	I80 L82 E95 R99 L123	I80-V121 HydrophobicContact CG2-CB 4.3Å; I80-V121 HydrophobicContact CG2-CG1 4.25Å; I80-V121 HydrophobicContact CG2-CG2 3.81Å; I80-V121 CarbonylContact O-C 3.52Å; I80-V121 WeakPolarHBondContact O-CA 3.34Å; L82-V121 HydrophobicContact CD1-CG1 4.36Å; E95-V121 HydrophobicContact CB-CG1 4.41Å; E95-V121 HydrophobicContact CG-CB 4.13Å; E95-V121 HydrophobicContact CG-CG1 4.48Å; E95-V121 HydrophobicContact CG-CG2 4.08Å; R99-V121 HydrophobicContact CG-CG2 4.25Å; V121-L123 HydrophobicContact CG1-CD2 4.11Å
122	L	98.2	Very high	90.8	Very high	92 Å²	92	62.3 Å²	62.3	48%	0.482	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	133.3	176.8	-65	-178.8	0	0	0	110.2	L79 I80 M81 L82	L79-L122 HydrophobicContact CD1-CB 4.2Å; L79-L122 HydrophobicContact CD1-CD1 3.51Å; L79-L122 HydrophobicContact CD1-CG 3.5Å; L79-L122 HydrophobicContact CD2-CD1 4.27Å; I80-L122 PolarHBondContact O-N 2.86Å; M81-L122 CarbonylContact C-O 3.51Å; M81-L122 WeakPolarHBondContact CA-O 3.5Å; M81-L122 HydrophobicContact CB-CB 4.26Å; M81-L122 HydrophobicContact CG-CB 4.19Å; L82-L122 PolarHBondContact N-O 2.99Å
123	L	97.9	Very high	88.5	Confident	94 Å²	94	63.9 Å²	63.9	49%	0.492	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	121.9	-179.8	-57.2	-179.4	0	0	0	110.7	L82 Y94 V121	L82-L123 HydrophobicContact CB-CD2 3.95Å; L82-L123 HydrophobicContact CD1-CD2 3.7Å; L82-L123 HydrophobicContact CG-CD2 4.2Å; Y94-L123 HydrophobicContact CG-CD2 4.22Å; V121-L123 HydrophobicContact CG1-CD2 4.11Å
124	A	97.5	Very high	86.4	Confident	50 Å²	50	66.3 Å²	66.3	41%	0.413	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	48.7	171.9	0	0	0	0	0	110.1	M81 L82 L83 G84	M81-A124 HydrophobicContact CE-CB 3.57Å; L82-A124 PolarHBondContact O-N 3.04Å; L83-A124 WeakPolarHBondContact CA-O 3.4Å; L83-A124 HydrophobicContact CB-CB 4.04Å; G84-A124 PolarHBondContact N-O 2.94Å
125	I	96.2	Very high	84	Confident	33 Å²	33	75.7 Å²	75.7	17%	0.169	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	126	-178.5	-58.3	-77.2	0	0	0	110	L82 L83 V86 Y94	L82-I125 HydrophobicContact CB-CD1 4.48Å; L82-I125 HydrophobicContact CB-CG1 4.48Å; L83-I125 WeakPolarHBondContact O-CD1 3.42Å; V86-I125 HydrophobicContact CG2-CG2 4.13Å; Y94-I125 HydrophobicContact CD1-CG1 4.32Å; Y94-I125 HydrophobicContact CE1-CD1 4.2Å; Y94-I125 HydrophobicContact CE1-CG1 3.9Å; Y94-I125 HydrophobicContact CE1-CG2 4.27Å; Y94-I125 WeakPolarHBondContact OH-CG2 3.43Å
126	T	94.4	Very high	81.1	Confident	94 Å²	94	79.5 Å²	79.5	58%	0.577	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	119.6	168.4	-57.8	0	0	0	0	109.8	G84 K85 V86	G84-T126 PolarHBondContact O-N 2.72Å; K85-T126 WeakPolarHBondContact CA-O 3.49Å; V86-T126 PolarHBondContact N-O 3.05Å
127	H	91.7	Very high	78.4	Confident	62 Å²	62	87.2 Å²	87.2	29%	0.287	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	133.1	179.2	-167.5	-82.8	0	0	0	111.7	Y60 V86 S88	Y60-H127 PolarHBondContact OH-CD2 3.28Å; Y60-H127 PolarHBondContact OH-NE2 2.75Å; V86-H127 CarbonylContact O-C 3.55Å; V86-H127 WeakPolarHBondContact O-CA 3.32Å; S88-H127 PolarHBondContact O-CE1 2.89Å
128	S	88.7	Confident	75.5	Confident	35 Å²	35	91 Å²	91	25%	0.245	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	130.6	171.8	63.7	0	0	0	0	112.2	V86 E87 S88 S130	V86-S128 PolarHBondContact O-N 2.99Å; E87-S128 VanDerWaalsContact CA-O 3.23Å; E87-S128 WeakPolarHBondContact CA-O 2.88Å; E87-S128 WeakPolarHBondContact CG-OG 3.45Å; S88-S128 PolarHBondContact N-O 2.61Å; S88-S128 VanDerWaalsContact N-O 3.16Å; S128-S130 VanDerWaalsContact C-N 3.32Å
129	S	79	Confident	73.1	Confident	74 Å²	74	94.7 Å²	94.7	52%	0.517	50%	0.503	S	S	.	.	S	Bend	trans	-85.2	-2	177.6	56.8	0	0	0	0	114.3	P131	S129-P131 VanDerWaalsContact O-CD 3.3Å; S129-P131 WeakPolarHBondContact O-CD 3.45Å
130	S	69	Low	70.9	Confident	88 Å²	88	98.1 Å²	98.1	62%	0.615	54%	0.538	S	S	*	.	S	Bend	trans	-107.5	95.4	-178.5	-59.6	0	0	0	0	109.2	S128 R132	S128-S130 VanDerWaalsContact C-N 3.32Å; S130-R132 PolarHBondContact O-N 2.74Å
131	P	59.3	Low	68.9	Low	95 Å²	95	98.4 Å²	98.4	62%	0.617	54%	0.536	S	S	*	.			trans	-60.1	123.5	-178.1	18	-26.2	0	0	0	110.3	S129 S133	S129-P131 VanDerWaalsContact O-CD 3.3Å; S129-P131 WeakPolarHBondContact O-CD 3.45Å; P131-S133 VanDerWaalsContact C-N 3.28Å; P131-S133 PolarHBondContact O-N 3.18Å
132	R	56.7	Low	67.1	Low	205 Å²	205	99.7 Å²	99.7	77%	0.774	54%	0.544	S	S	*	.			trans	-75.9	86.5	172.7	-82.6	-176.1	174.6	-177.6	0.4	108.7	E87 S130	E87-R132 PolarHBondContact OE2-N 2.8Å; S130-R132 PolarHBondContact O-N 2.74Å
133	S	49.8	Very low	65.8	Low	79 Å²	79	100.5 Å²	100.5	55%	0.552	54%	0.543	S	S	*	.			trans	59.2	88.7	158.3	57.2	0	0	0	0	118.2	P131	P131-S133 VanDerWaalsContact C-N 3.28Å; P131-S133 PolarHBondContact O-N 3.18Å
134	E	51.2	Low	64.8	Low	56 Å²	56	96.5 Å²	96.5	26%	0.262	52%	0.523	S	S	.	.			trans	-95	90.2	133.8	-82.4	-175.7	-176.3	0	0	106.5	F66 K68 V142 R381	F66-E134 WeakPolarHBondContact CD1-OE2 3.41Å; K68-E134 WeakPolarHBondContact CE-OE1 3.36Å; K68-E134 IonicContact NZ-OE1 2.76Å; K68-E134 PolarHBondContact NZ-OE1 3.31Å; E134-V142 HydrophobicContact CB-CG1 3.56Å; E134-V142 HydrophobicContact CG-CG1 3.63Å; E134-V142 WeakPolarHBondContact OE2-CG1 3.46Å; E134-R381 VanDerWaalsContact CD-NH2 3.31Å; E134-R381 IonicContact OE1-NH2 3.41Å; E134-R381 PolarHBondContact OE1-NH2 2.98Å; E134-R381 IonicContact OE2-CZ 2.74Å; E134-R381 IonicContact OE2-NH2 3.7Å; E134-R381 PolarHBondContact OE2-NH2 3.19Å
135	R	46.4	Very low	64	Low	203 Å²	203	96.8 Å²	96.8	77%	0.766	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-78.2	123.1	176.9	-66.9	-177	-157.8	-174.4	5.9	108.6	Y137	R135-Y137 PolarHBondContact O-N 3.25Å
136	A	37.4	Very low	63.1	Low	95 Å²	95	95.2 Å²	95.2	79%	0.785	51%	0.512	S	S	*	.	B	Isolated β-bridge	trans	-53.9	129.7	174.5	0	0	0	0	0	111.2
137	Y	43.3	Very low	62.4	Low	162 Å²	162	93.8 Å²	93.8	64%	0.635	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-103.2	162.1	162.9	-145	-97.6	0	0	0	109	R135	R135-Y137 PolarHBondContact O-N 3.25Å
138	K	35.9	Very low	62.2	Low	177 Å²	177	95.1 Å²	95.1	77%	0.77	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	140	-176.5	-76.3	178.7	172.1	179.6	0	112.2
139	N	48.1	Very low	62.3	Low	167 Å²	167	100 Å²	100	89%	0.893	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	17.1	176	-53.5	-8.3	0	0	0	117.2	E141	N139-E141 PolarHBondContact O-N 2.76Å
140	G	52.2	Low	62.9	Low	74 Å²	74	97.2 Å²	97.2	76%	0.763	52%	0.516	S	S	*	.	S	Bend	trans	86.1	-0.1	170.8	0	0	0	0	0	115.3
141	E	56.4	Low	64.2	Low	112 Å²	112	97 Å²	97	52%	0.523	51%	0.508	S	S	.	.			trans	-78.4	123.2	169	-71.7	-167.5	166.3	0	0	110.6	N139 K143 R370	N139-E141 PolarHBondContact O-N 2.76Å; E141-K143 PolarHBondContact O-N 3.43Å; E141-R370 IonicContact OE2-NH2 3.71Å
142	V	60.9	Low	66	Low	47 Å²	47	92.7 Å²	92.7	29%	0.285	48%	0.48	S	S	.	.	B	Isolated β-bridge	trans	-76.4	120.5	173	178.8	0	0	0	0	109.5	E134 V144	E134-V142 HydrophobicContact CB-CG1 3.56Å; E134-V142 HydrophobicContact CG-CG1 3.63Å; E134-V142 WeakPolarHBondContact OE2-CG1 3.46Å; V142-V144 HydrophobicContact CG1-CG2 4.06Å; V142-V144 PolarHBondContact O-N 3.32Å
143	K	70.1	Confident	68	Low	108 Å²	108	84.3 Å²	84.3	47%	0.47	45%	0.449	S	S	.	.			trans	-72.8	100.8	173.3	-173	179.2	-178.9	179	0	109.5	E141 V339	E141-K143 PolarHBondContact O-N 3.43Å; K143-V339 HydrophobicContact CG-CG2 4.38Å
144	V	77.5	Confident	70.4	Confident	10 Å²	10	80.6 Å²	80.6	6%	0.061	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-97.3	119.8	169.6	-174.8	0	0	0	0	108	V142 A371 I375	V142-V144 HydrophobicContact CG1-CG2 4.06Å; V142-V144 PolarHBondContact O-N 3.32Å; V144-A371 HydrophobicContact CB-CB 4.07Å; V144-A371 HydrophobicContact CG1-CB 3.77Å; V144-I375 HydrophobicContact CG1-CD1 4.36Å
145	T	80.2	Confident	72.6	Confident	56 Å²	56	77.9 Å²	77.9	34%	0.344	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-98.1	152.1	170.2	54.8	0	0	0	0	109.6	S147 G337 S338 V339	T145-S147 PolarHBondContact O-N 3.4Å; T145-S147 VanDerWaalsContact O-N 3.14Å; T145-G337 WeakPolarHBondContact CG2-O 3.36Å; T145-S338 WeakPolarHBondContact CA-O 3.37Å; T145-V339 HydrophobicContact CG2-CG2 3.95Å
146	A	77.4	Confident	75.1	Confident	1 Å²	1	68.2 Å²	68.2	1%	0.008	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-55.6	120.7	170.8	0	0	0	0	0	109.8	D148 M304 Y334 G337 S338	A146-D148 PolarHBondContact O-N 3.06Å; A146-M304 HydrophobicContact CB-CG 3.69Å; A146-Y334 HydrophobicContact CB-CD1 4.33Å; A146-Y334 HydrophobicContact CB-CG 4.34Å; A146-G337 PolarHBondContact O-N 3.1Å; A146-S338 PolarHBondContact N-O 3.34Å
147	S	80.4	Confident	78	Confident	64 Å²	64	63.7 Å²	63.7	45%	0.448	34%	0.336	S	S	.	.	S	Bend	trans	-71.6	-19.9	-179.4	61.1	0	0	0	0	112.9	T145	T145-S147 PolarHBondContact O-N 3.4Å; T145-S147 VanDerWaalsContact O-N 3.14Å
148	D	87.3	Confident	80.7	Confident	89 Å²	89	59 Å²	59	48%	0.476	32%	0.322	S	S	.	.	S	Bend	trans	-146	164.9	-179.4	-155.1	-9.4	0	0	0	109.3	A146	A146-D148 PolarHBondContact O-N 3.06Å
149	Q	89.6	Confident	83.6	Confident	138 Å²	138	51.4 Å²	51.4	65%	0.645	29%	0.29	S	S	*	.			trans	-74.1	156	165	66	-179.7	35.1	0	0	110.2	Y334	Q149-Y334 WeakPolarHBondContact CA-O 3.49Å
150	G	92.1	Very high	86	Confident	15 Å²	15	43.9 Å²	43.9	16%	0.155	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.2	168.6	168.7	0	0	0	0	0	114.3	M152 A333 Y334	G150-M152 VanDerWaalsContact C-CE 3.46Å; G150-A333 VanDerWaalsContact O-CA 3.29Å; G150-A333 WeakPolarHBondContact O-CA 3.5Å; G150-Y334 PolarHBondContact N-O 2.84Å; G150-Y334 PolarHBondContact O-N 2.96Å
151	L	95.1	Very high	88.2	Confident	84 Å²	84	46.1 Å²	46.1	44%	0.44	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	138.6	174.2	-51.3	98.9	0	0	0	107.6	F153 G292	L151-F153 HydrophobicContact CB-CE2 4.49Å; L151-G292 VanDerWaalsContact O-CA 3.28Å; L151-G292 WeakPolarHBondContact O-CA 3.35Å
152	M	98.3	Very high	90.1	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.02	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	143.5	179.6	-59.9	84.4	-154.8	0	0	109	G150 M304 D305 A308 A309 Q331 I332 Y334	G150-M152 VanDerWaalsContact C-CE 3.46Å; M152-M304 HydrophobicContact CE-CB 4.08Å; M152-D305 WeakPolarHBondContact CE-OD1 3.41Å; M152-A308 HydrophobicContact CB-CB 4.16Å; M152-A308 HydrophobicContact CG-CB 3.84Å; M152-A308 HydrophobicContact SD-CB 3.82Å; M152-A309 HydrophobicContact CB-CB 4.22Å; M152-A309 HydrophobicContact CG-CB 4.39Å; M152-Q331 WeakPolarHBondContact O-CA 3.35Å; M152-I332 PolarHBondContact N-O 2.76Å; M152-I332 PolarHBondContact O-N 3.12Å; M152-Y334 HydrophobicContact SD-CD2 4.16Å
153	F	98.8	Very high	91.9	Very high	30 Å²	30	40.4 Å²	40.4	13%	0.132	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	137.9	-178.5	-68.7	-90	0	0	0	112	L151 Y285 A290 H291 L329 I330 Q331	L151-F153 HydrophobicContact CB-CE2 4.49Å; F153-Y285 PolarHBondContact O-OH 3.35Å; F153-A290 HydrophobicContact CB-CB 4.31Å; F153-A290 WeakPolarHBondContact CB-O 3.42Å; F153-A290 HydrophobicContact CD1-CB 3.56Å; F153-A290 HydrophobicContact CD2-CB 3.99Å; F153-A290 HydrophobicContact CE1-CB 3.65Å; F153-A290 HydrophobicContact CE2-CB 4.09Å; F153-A290 HydrophobicContact CG-CB 3.7Å; F153-A290 HydrophobicContact CZ-CB 3.9Å; F153-H291 VanDerWaalsContact CD2-C 3.45Å; F153-L329 HydrophobicContact CB-CD1 4.08Å; F153-L329 HydrophobicContact CD1-CD1 3.85Å; F153-L329 HydrophobicContact CD1-CD2 4.13Å; F153-L329 HydrophobicContact CD1-CG 4.07Å; F153-L329 HydrophobicContact CE1-CD2 4.34Å; F153-L329 HydrophobicContact CG-CD1 4.4Å; F153-I330 CarbonylContact C-O 3.59Å; F153-I330 WeakPolarHBondContact CA-O 3.21Å; F153-Q331 HydrophobicContact CD1-CB 3.86Å; F153-Q331 HydrophobicContact CD1-CG 4.06Å; F153-Q331 HydrophobicContact CE1-CB 3.68Å; F153-Q331 HydrophobicContact CE1-CG 3.6Å; F153-Q331 HydrophobicContact CZ-CB 4.46Å; F153-Q331 HydrophobicContact CZ-CG 3.88Å
154	G	98.9	Very high	93.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	127.8	175.9	0	0	0	0	0	110	Y285 A312 L329 I330	G154-Y285 VanDerWaalsContact CA-OH 3.28Å; G154-Y285 WeakPolarHBondContact CA-OH 3.19Å; G154-A312 VanDerWaalsContact CA-CB 3.47Å; G154-A312 WeakPolarHBondContact CA-O 3.25Å; G154-A312 VanDerWaalsContact N-CB 3.34Å; G154-L329 CarbonylContact O-C 3.16Å; G154-L329 WeakPolarHBondContact O-CA 3.32Å; G154-I330 PolarHBondContact N-O 3.45Å; G154-I330 PolarHBondContact O-N 3.11Å
155	Y	98.9	Very high	94.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	143.3	178.9	-179.5	-102.1	0	0	0	111.4	T157 P165 Y285 W288 R313 R327 V328 L329 Y349	Y155-T157 HydrophobicContact CE1-CG2 3.87Å; Y155-P165 HydrophobicContact CD1-CG 4.25Å; Y155-P165 HydrophobicContact CE1-CG 3.89Å; Y155-Y285 HydrophobicContact CD1-CD1 4.15Å; Y155-Y285 HydrophobicContact CD1-CG 4.28Å; Y155-Y285 HydrophobicContact CG-CD1 4.49Å; Y155-Y285 HydrophobicContact CG-CG 4.46Å; Y155-Y285 PolarHBondContact N-OH 3.47Å; Y155-Y285 VanDerWaalsContact N-OH 3.09Å; Y155-Y285 WeakPolarHBondContact O-CE1 3.37Å; Y155-W288 HydrophobicContact CD1-CB 4.33Å; Y155-W288 HydrophobicContact CE1-CB 3.94Å; Y155-R313 WeakPolarHBondContact O-CD 3.27Å; Y155-R313 PolarHBondContact O-NH1 3.44Å; Y155-R327 HydrophobicContact CE2-CG 3.76Å; Y155-R327 WeakPolarHBondContact OH-CD 3.41Å; Y155-R327 WeakPolarHBondContact OH-CG 3.16Å; Y155-R327 PolarHBondContact OH-NE 2.85Å; Y155-V328 WeakPolarHBondContact CA-O 3.16Å; Y155-V328 WeakPolarHBondContact CD2-O 3.22Å; Y155-L329 HydrophobicContact CD2-CB 4.41Å; Y155-L329 HydrophobicContact CD2-CD1 4.44Å; Y155-Y349 HydrophobicContact CE2-CE2 4.19Å
156	A	98.9	Very high	95.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	149.8	171.4	0	0	0	0	0	110.3	C163 A316 V320 R327 V328	A156-C163 WeakPolarHBondContact CA-O 3.05Å; A156-C163 HydrophobicContact CB-CB 4.15Å; A156-A316 HydrophobicContact CB-CB 3.76Å; A156-A316 WeakPolarHBondContact CB-O 3.48Å; A156-V320 HydrophobicContact CB-CB 4.33Å; A156-V320 HydrophobicContact CB-CG2 3.71Å; A156-R327 WeakPolarHBondContact O-CA 3.44Å; A156-V328 HydrophobicContact CB-CG1 4.33Å; A156-V328 PolarHBondContact N-O 3.06Å; A156-V328 VanDerWaalsContact N-O 3.13Å; A156-V328 PolarHBondContact O-N 2.97Å
157	T	98.8	Very high	96.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	146.6	-176.6	-174.8	0	0	0	0	109	Y155 E159 C163 M164 P165 R326	Y155-T157 HydrophobicContact CE1-CG2 3.87Å; T157-E159 WeakPolarHBondContact CB-OE1 3.48Å; T157-E159 HydrophobicContact CG2-CB 4.12Å; T157-E159 HydrophobicContact CG2-CG 4.06Å; T157-E159 WeakPolarHBondContact CG2-OE1 3.35Å; T157-E159 PolarHBondContact O-N 2.99Å; T157-E159 WeakPolarHBondContact OG1-CG 3.25Å; T157-E159 PolarHBondContact OG1-OE1 3.43Å; T157-C163 PolarHBondContact N-O 3.22Å; T157-C163 CarbonylContact O-C 3.57Å; T157-C163 WeakPolarHBondContact O-CA 3.48Å; T157-M164 WeakPolarHBondContact CG2-O 3.47Å; T157-P165 HydrophobicContact CG2-CB 4.45Å; T157-R326 CarbonylContact C-O 3.44Å; T157-R326 WeakPolarHBondContact CA-O 3.49Å
158	D	98.3	Very high	97.1	Very high	62 Å²	62	29.5 Å²	29.5	33%	0.332	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	10.7	-178.5	74.3	-12.1	0	0	0	114.3	T160 V320 R326	D158-T160 PolarHBondContact O-N 3.34Å; D158-V320 HydrophobicContact CB-CG1 4.08Å; D158-R326 PolarHBondContact N-O 3.41Å; D158-R326 IonicContact OD1-CZ 2.66Å; D158-R326 IonicContact OD1-NE 2.86Å; D158-R326 IonicContact OD1-NH2 2.92Å; D158-R326 PolarHBondContact OD1-NH2 3.34Å; D158-R326 VanDerWaalsContact OD1-NH2 3.09Å; D158-R326 WeakPolarHBondContact OD2-CB 3.3Å; D158-R326 WeakPolarHBondContact OD2-CG 3.42Å; D158-R326 IonicContact OD2-CZ 2.66Å; D158-R326 IonicContact OD2-NE 3.59Å; D158-R326 PolarHBondContact OD2-NE 3.05Å; D158-R326 IonicContact OD2-NH2 3.56Å; D158-R326 PolarHBondContact OD2-NH2 3.46Å
159	E	98.1	Very high	97.6	Very high	19 Å²	19	26 Å²	26	9%	0.089	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-31.7	176.5	-67.1	167.5	-114.6	0	0	113.3	T157 L166 Y202 C209	T157-E159 WeakPolarHBondContact CB-OE1 3.48Å; T157-E159 HydrophobicContact CG2-CB 4.12Å; T157-E159 HydrophobicContact CG2-CG 4.06Å; T157-E159 WeakPolarHBondContact CG2-OE1 3.35Å; T157-E159 PolarHBondContact O-N 2.99Å; T157-E159 WeakPolarHBondContact OG1-CG 3.25Å; T157-E159 PolarHBondContact OG1-OE1 3.43Å; E159-L166 PolarHBondContact OE2-N 2.81Å; E159-Y202 WeakPolarHBondContact OE2-CE1 3.5Å; E159-Y202 VanDerWaalsContact OE2-CZ 3.27Å; E159-Y202 PolarHBondContact OE2-OH 2.85Å; E159-C209 HydrophobicContact CG-CB 4.2Å; E159-C209 WeakPolarHBondContact CG-O 3.36Å; E159-C209 WeakPolarHBondContact OE1-CB 3.28Å
160	T	98.3	Very high	98.1	Very high	9 Å²	9	19.4 Å²	19.4	6%	0.055	11%	0.111	C	C	.	.	S	Bend	trans	-136.4	155.5	-179.4	84.6	0	0	0	0	111.4	D158 E162 C163 M164 L166 L169	D158-T160 PolarHBondContact O-N 3.34Å; T160-E162 WeakPolarHBondContact CB-OE2 3.46Å; T160-E162 PolarHBondContact O-N 2.98Å; T160-E162 VanDerWaalsContact O-N 3.17Å; T160-E162 PolarHBondContact OG1-OE2 2.88Å; T160-C163 WeakPolarHBondContact O-CA 3.33Å; T160-C163 PolarHBondContact O-N 3.4Å; T160-M164 VanDerWaalsContact CG2-O 3.29Å; T160-M164 WeakPolarHBondContact CG2-O 3.28Å; T160-M164 PolarHBondContact OG1-N 3.12Å; T160-M164 PolarHBondContact OG1-O 2.91Å; T160-L166 HydrophobicContact CG2-CB 4.03Å; T160-L166 HydrophobicContact CG2-CD1 3.88Å; T160-L169 HydrophobicContact CG2-CD2 3.74Å
161	P	97.1	Very high	98.4	Very high	121 Å²	121	18.7 Å²	18.7	79%	0.786	10%	0.104	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-29.7	177.8	-26.6	35.9	0	0	0	114.6	C163	P161-C163 PolarHBondContact O-N 3.32Å
162	E	98.2	Very high	98.6	Very high	31 Å²	31	15.2 Å²	15.2	15%	0.145	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	0.6	177.7	-53	79.2	-178.5	0	0	112.7	T160 M164 L169 R173 R313	T160-E162 WeakPolarHBondContact CB-OE2 3.46Å; T160-E162 PolarHBondContact O-N 2.98Å; T160-E162 VanDerWaalsContact O-N 3.17Å; T160-E162 PolarHBondContact OG1-OE2 2.88Å; E162-M164 VanDerWaalsContact C-N 3.29Å; E162-M164 HydrophobicContact CB-CB 4.43Å; E162-M164 HydrophobicContact CB-CG 4.21Å; E162-M164 PolarHBondContact O-N 3.46Å; E162-L169 WeakPolarHBondContact OE2-CD2 3.3Å; E162-R173 IonicContact OE1-CZ 2.68Å; E162-R173 IonicContact OE1-NH2 3.13Å; E162-R173 PolarHBondContact OE1-NH2 2.95Å; E162-R313 PolarHBondContact O-NH2 3.31Å
163	C	98.6	Very high	98.6	Very high	8 Å²	8	19.7 Å²	19.7	5%	0.054	10%	0.102	C	C	.	.	S	Bend	trans	56.6	37.5	-171	-53.2	0	0	0	0	113.6	A156 T157 T160 P161 R313 K317	A156-C163 WeakPolarHBondContact CA-O 3.05Å; A156-C163 HydrophobicContact CB-CB 4.15Å; T157-C163 PolarHBondContact N-O 3.22Å; T157-C163 CarbonylContact O-C 3.57Å; T157-C163 WeakPolarHBondContact O-CA 3.48Å; T160-C163 WeakPolarHBondContact O-CA 3.33Å; T160-C163 PolarHBondContact O-N 3.4Å; P161-C163 PolarHBondContact O-N 3.32Å; C163-R313 PolarHBondContact O-NH1 3.29Å; C163-K317 HydrophobicContact CB-CG 4.06Å
164	M	98.7	Very high	98.6	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.01	10%	0.096	C	C	.	.	S	Bend	trans	-117.2	154.1	-176.3	-74.7	-65.8	-77.7	0	0	111.3	T157 T160 E162 L166 L168 Y285 R313 F394	T157-M164 WeakPolarHBondContact CG2-O 3.47Å; T160-M164 VanDerWaalsContact CG2-O 3.29Å; T160-M164 WeakPolarHBondContact CG2-O 3.28Å; T160-M164 PolarHBondContact OG1-N 3.12Å; T160-M164 PolarHBondContact OG1-O 2.91Å; E162-M164 VanDerWaalsContact C-N 3.29Å; E162-M164 HydrophobicContact CB-CB 4.43Å; E162-M164 HydrophobicContact CB-CG 4.21Å; E162-M164 PolarHBondContact O-N 3.46Å; M164-L166 PolarHBondContact O-N 2.78Å; M164-L168 HydrophobicContact CE-CD2 3.81Å; M164-Y285 HydrophobicContact CE-CD1 4.44Å; M164-Y285 HydrophobicContact SD-CD1 4.4Å; M164-R313 VanDerWaalsContact SD-CZ 3.55Å; M164-F394 HydrophobicContact CE-CB 3.84Å; M164-F394 HydrophobicContact SD-CB 3.83Å
165	P	98.8	Very high	98.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.096	C	C	.	.			trans	-64.1	133.4	172.2	3.1	2	0	0	0	111.2	Y155 T157 T167 L168 L169 W288	Y155-P165 HydrophobicContact CD1-CG 4.25Å; Y155-P165 HydrophobicContact CE1-CG 3.89Å; T157-P165 HydrophobicContact CG2-CB 4.45Å; P165-T167 VanDerWaalsContact C-N 3.3Å; P165-T167 PolarHBondContact O-N 3.39Å; P165-L168 PolarHBondContact O-N 2.8Å; P165-L169 PolarHBondContact O-N 3.12Å; P165-L169 VanDerWaalsContact O-N 3.12Å; P165-W288 HydrophobicContact CB-CB 4.25Å; P165-W288 HydrophobicContact CB-CD2 4.25Å; P165-W288 HydrophobicContact CB-CG 3.66Å; P165-W288 HydrophobicContact CG-CB 3.79Å; P165-W288 VanDerWaalsContact CG-CD1 3.49Å; P165-W288 HydrophobicContact CG-CG 3.75Å
166	L	98.7	Very high	98.5	Very high	8 Å²	8	19.9 Å²	19.9	4%	0.042	11%	0.109	C	C	.	.	H	α-helix	trans	-59.2	-39.6	-174.7	-178.8	68.6	0	0	0	112.4	E159 T160 M164 L168 L169 L170 V200 P211 Y249	E159-L166 PolarHBondContact OE2-N 2.81Å; T160-L166 HydrophobicContact CG2-CB 4.03Å; T160-L166 HydrophobicContact CG2-CD1 3.88Å; M164-L166 PolarHBondContact O-N 2.78Å; L166-L168 PolarHBondContact O-N 2.87Å; L166-L169 PolarHBondContact O-N 3.03Å; L166-L170 HydrophobicContact CD1-CD1 3.9Å; L166-L170 HydrophobicContact CD1-CD2 4.34Å; L166-L170 HydrophobicContact CD1-CG 3.9Å; L166-L170 HydrophobicContact CD2-CD1 4.42Å; L166-L170 HydrophobicContact CG-CD1 3.88Å; L166-L170 HydrophobicContact CG-CG 4.21Å; L166-L170 WeakPolarHBondContact O-CB 3.3Å; L166-L170 WeakPolarHBondContact O-CG 3.23Å; L166-L170 PolarHBondContact O-N 3.43Å; L166-V200 HydrophobicContact CD2-CG2 4.46Å; L166-P211 HydrophobicContact CD2-CB 3.52Å; L166-P211 HydrophobicContact CD2-CG 3.9Å; L166-Y249 HydrophobicContact CD1-CE2 4.27Å; L166-Y249 HydrophobicContact CD2-CD2 3.92Å; L166-Y249 HydrophobicContact CD2-CE1 4.4Å; L166-Y249 HydrophobicContact CD2-CE2 3.6Å; L166-Y249 HydrophobicContact CD2-CG 4.45Å
167	T	98.8	Very high	98.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-56.8	-49.9	179.9	50.3	0	0	0	0	112.3	F35 S37 P165 A171 V200 Y202 W288	F35-T167 HydrophobicContact CD1-CG2 4.43Å; F35-T167 WeakPolarHBondContact O-CG2 3.41Å; S37-T167 VanDerWaalsContact OG-CB 3.29Å; S37-T167 WeakPolarHBondContact OG-CB 3.47Å; S37-T167 PolarHBondContact OG-OG1 3.18Å; P165-T167 VanDerWaalsContact C-N 3.3Å; P165-T167 PolarHBondContact O-N 3.39Å; T167-A171 WeakPolarHBondContact O-CB 3.49Å; T167-A171 PolarHBondContact O-N 2.86Å; T167-A171 VanDerWaalsContact O-N 3.11Å; T167-V200 HydrophobicContact CG2-CB 3.67Å; T167-V200 HydrophobicContact CG2-CG2 3.52Å; T167-Y202 HydrophobicContact CG2-CE2 3.75Å; T167-W288 PolarHBondContact OG1-NE1 3.41Å
168	L	98.8	Very high	98.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-69.6	-44.5	-179.8	179.8	66.6	0	0	0	111	M164 P165 L166 L170 A171 H172 T284	M164-L168 HydrophobicContact CE-CD2 3.81Å; P165-L168 PolarHBondContact O-N 2.8Å; L166-L168 PolarHBondContact O-N 2.87Å; L168-L170 VanDerWaalsContact C-N 3.29Å; L168-L170 PolarHBondContact O-N 2.93Å; L168-A171 PolarHBondContact O-N 2.82Å; L168-A171 VanDerWaalsContact O-N 3.12Å; L168-H172 WeakPolarHBondContact CD1-NE2 3.4Å; L168-H172 WeakPolarHBondContact CG-NE2 3.28Å; L168-H172 PolarHBondContact O-N 2.63Å; L168-T284 WeakPolarHBondContact CD2-O 3.33Å
169	L	98.5	Very high	98.5	Very high	15 Å²	15	21.7 Å²	21.7	8%	0.079	11%	0.112	C	C	.	.	H	α-helix	trans	-57.3	-44.6	-179.2	-177.5	67	0	0	0	111.3	T160 E162 P165 L166 R173	T160-L169 HydrophobicContact CG2-CD2 3.74Å; E162-L169 WeakPolarHBondContact OE2-CD2 3.3Å; P165-L169 PolarHBondContact O-N 3.12Å; P165-L169 VanDerWaalsContact O-N 3.12Å; L166-L169 PolarHBondContact O-N 3.03Å; L169-R173 WeakPolarHBondContact O-CB 3.48Å; L169-R173 VanDerWaalsContact O-CG 3.28Å; L169-R173 WeakPolarHBondContact O-CG 3.32Å; L169-R173 PolarHBondContact O-N 2.92Å
170	L	98.8	Very high	98.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-67.7	-40.9	176.4	-66.6	-178.8	0	0	0	111.9	L166 L168 H172 R173 L174 V198 L214 V244	L166-L170 HydrophobicContact CD1-CD1 3.9Å; L166-L170 HydrophobicContact CD1-CD2 4.34Å; L166-L170 HydrophobicContact CD1-CG 3.9Å; L166-L170 HydrophobicContact CD2-CD1 4.42Å; L166-L170 HydrophobicContact CG-CD1 3.88Å; L166-L170 HydrophobicContact CG-CG 4.21Å; L166-L170 WeakPolarHBondContact O-CB 3.3Å; L166-L170 WeakPolarHBondContact O-CG 3.23Å; L166-L170 PolarHBondContact O-N 3.43Å; L168-L170 VanDerWaalsContact C-N 3.29Å; L168-L170 PolarHBondContact O-N 2.93Å; L170-H172 VanDerWaalsContact C-N 3.35Å; L170-H172 PolarHBondContact O-N 3.02Å; L170-R173 PolarHBondContact O-N 2.93Å; L170-L174 VanDerWaalsContact O-CG 3.28Å; L170-L174 WeakPolarHBondContact O-CG 3.45Å; L170-L174 PolarHBondContact O-N 2.8Å; L170-V198 HydrophobicContact CB-CG1 4.21Å; L170-V198 HydrophobicContact CB-CG2 4.03Å; L170-V198 HydrophobicContact CD1-CG1 4.26Å; L170-L214 HydrophobicContact CD1-CD1 4.13Å; L170-L214 HydrophobicContact CD1-CD2 3.58Å; L170-V244 HydrophobicContact CD2-CG1 4.36Å
171	A	98.8	Very high	98.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-57.8	-46.8	175.8	0	0	0	0	0	111.6	T167 L168 L174 T175 S196 V198	T167-A171 WeakPolarHBondContact O-CB 3.49Å; T167-A171 PolarHBondContact O-N 2.86Å; T167-A171 VanDerWaalsContact O-N 3.11Å; L168-A171 PolarHBondContact O-N 2.82Å; L168-A171 VanDerWaalsContact O-N 3.12Å; A171-L174 PolarHBondContact O-N 2.84Å; A171-T175 PolarHBondContact O-N 3.09Å; A171-T175 PolarHBondContact O-OG1 2.87Å; A171-S196 VanDerWaalsContact C-OG 3.29Å; A171-S196 WeakPolarHBondContact CA-OG 3.41Å; A171-S196 PolarHBondContact O-OG 2.64Å; A171-V198 HydrophobicContact CB-CG2 4.17Å
172	H	98.7	Very high	98.5	Very high	10 Å²	10	20.6 Å²	20.6	5%	0.046	10%	0.096	C	C	.	.	H	α-helix	trans	-60.5	-44.5	173.6	-76.4	-34	0	0	0	113.3	S39 L168 L170 L174 T175 A176 V282 N391	S39-H172 PolarHBondContact OG-CE1 2.96Å; S39-H172 PolarHBondContact OG-ND1 3.09Å; L168-H172 WeakPolarHBondContact CD1-NE2 3.4Å; L168-H172 WeakPolarHBondContact CG-NE2 3.28Å; L168-H172 PolarHBondContact O-N 2.63Å; L170-H172 VanDerWaalsContact C-N 3.35Å; L170-H172 PolarHBondContact O-N 3.02Å; H172-L174 VanDerWaalsContact C-N 3.3Å; H172-L174 PolarHBondContact O-N 2.9Å; H172-T175 PolarHBondContact O-N 2.81Å; H172-T175 PolarHBondContact O-OG1 3.23Å; H172-A176 WeakPolarHBondContact O-CB 3.22Å; H172-A176 PolarHBondContact O-N 3.01Å; H172-V282 PolarHBondContact CE1-O 2.76Å; H172-V282 PolarHBondContact NE2-O 3.23Å; H172-N391 HydrophobicContact CB-CB 4.1Å; H172-N391 PolarHBondContact CD2-O 3.24Å; H172-N391 VanDerWaalsContact CD2-O 3.25Å; H172-N391 VanDerWaalsContact CE1-C 3.47Å; H172-N391 VanDerWaalsContact CG-O 3.28Å; H172-N391 PolarHBondContact ND1-O 3.3Å; H172-N391 PolarHBondContact NE2-O 2.88Å; H172-N391 PolarHBondContact O-OD1 3.48Å
173	R	98.6	Very high	98.5	Very high	99 Å²	99	23.7 Å²	23.7	37%	0.374	11%	0.11	S	C	.	.	H	α-helix	trans	-65.2	-33.8	-179.6	-75.5	176.2	171.7	172.2	1.2	112.6	E162 L169 L170 R177 V244	E162-R173 IonicContact OE1-CZ 2.68Å; E162-R173 IonicContact OE1-NH2 3.13Å; E162-R173 PolarHBondContact OE1-NH2 2.95Å; L169-R173 WeakPolarHBondContact O-CB 3.48Å; L169-R173 VanDerWaalsContact O-CG 3.28Å; L169-R173 WeakPolarHBondContact O-CG 3.32Å; L169-R173 PolarHBondContact O-N 2.92Å; L170-R173 PolarHBondContact O-N 2.93Å; R173-R177 WeakPolarHBondContact O-CB 3.45Å; R173-R177 PolarHBondContact O-N 3.34Å; R173-V244 HydrophobicContact CB-CG1 3.43Å; R173-V244 VanDerWaalsContact CB-CG1 3.43Å; R173-V244 HydrophobicContact CB-CG2 4.39Å
174	L	98.8	Very high	98.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.7	-46.1	175.6	-71.2	168.2	0	0	0	111.4	L170 A171 H172 Y178 V198 I217 M219 V240 V241 V244	L170-L174 VanDerWaalsContact O-CG 3.28Å; L170-L174 WeakPolarHBondContact O-CG 3.45Å; L170-L174 PolarHBondContact O-N 2.8Å; A171-L174 PolarHBondContact O-N 2.84Å; H172-L174 VanDerWaalsContact C-N 3.3Å; H172-L174 PolarHBondContact O-N 2.9Å; L174-Y178 WeakPolarHBondContact O-CB 3.3Å; L174-Y178 PolarHBondContact O-N 3.45Å; L174-Y178 VanDerWaalsContact O-N 3.09Å; L174-V198 HydrophobicContact CD1-CG2 3.64Å; L174-I217 HydrophobicContact CD1-CG2 3.85Å; L174-M219 HydrophobicContact CB-CE 4.1Å; L174-M219 HydrophobicContact CB-SD 4.02Å; L174-M219 HydrophobicContact CD1-CG 4.48Å; L174-M219 HydrophobicContact CD2-SD 3.92Å; L174-M219 HydrophobicContact CG-SD 4.38Å; L174-V240 HydrophobicContact CD2-CG1 4.1Å; L174-V241 HydrophobicContact CD2-CG2 4.2Å; L174-V244 HydrophobicContact CD2-CB 3.95Å; L174-V244 HydrophobicContact CD2-CG1 3.89Å; L174-V244 HydrophobicContact CD2-CG2 4.42Å; L174-V244 HydrophobicContact CG-CG1 3.98Å
175	T	98.5	Very high	98.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-68	-40.5	177.1	47.2	0	0	0	0	112	A171 H172 Y178 Q179 N391	A171-T175 PolarHBondContact O-N 3.09Å; A171-T175 PolarHBondContact O-OG1 2.87Å; H172-T175 PolarHBondContact O-N 2.81Å; H172-T175 PolarHBondContact O-OG1 3.23Å; T175-Y178 PolarHBondContact O-N 3.31Å; T175-Q179 WeakPolarHBondContact O-CB 3.12Å; T175-Q179 PolarHBondContact O-N 2.99Å; T175-N391 PolarHBondContact OG1-OD1 3.36Å
176	A	98.3	Very high	98.2	Very high	34 Å²	34	33.4 Å²	33.4	28%	0.281	18%	0.178	S	C	.	.	H	α-helix	trans	-63.2	-43.4	176.3	0	0	0	0	0	112.3	H172 Q179 M180 N391	H172-A176 WeakPolarHBondContact O-CB 3.22Å; H172-A176 PolarHBondContact O-N 3.01Å; A176-Q179 PolarHBondContact O-N 3.24Å; A176-M180 WeakPolarHBondContact O-CB 3.28Å; A176-M180 PolarHBondContact O-N 2.83Å; A176-N391 PolarHBondContact N-OD1 2.9Å
177	R	98.5	Very high	98.1	Very high	80 Å²	80	33.1 Å²	33.1	30%	0.302	18%	0.177	S	C	.	.	H	α-helix	trans	-64.3	-44	177.5	178.5	64.7	179.5	-173.5	2.3	111.5	R173 M180 L181 E239 V240 V244	R173-R177 WeakPolarHBondContact O-CB 3.45Å; R173-R177 PolarHBondContact O-N 3.34Å; R177-M180 PolarHBondContact O-N 3.39Å; R177-L181 HydrophobicContact CG-CD1 4.48Å; R177-L181 WeakPolarHBondContact O-CG 3.37Å; R177-L181 PolarHBondContact O-N 3.18Å; R177-L181 VanDerWaalsContact O-N 3.08Å; R177-E239 PolarHBondContact NE-O 3.22Å; R177-E239 PolarHBondContact NH2-O 3.47Å; R177-V240 HydrophobicContact CB-CG1 4.11Å; R177-V240 HydrophobicContact CG-CB 4.3Å; R177-V240 HydrophobicContact CG-CG1 3.98Å; R177-V240 HydrophobicContact CG-CG2 4.37Å; R177-V244 HydrophobicContact CB-CG2 3.57Å; R177-V244 HydrophobicContact CG-CG2 3.81Å
178	Y	98.6	Very high	98	Very high	3 Å²	3	38.3 Å²	38.3	1%	0.012	21%	0.211	C	C	.	.	H	α-helix	trans	-58.6	-46.7	173.9	172.3	-99.5	0	0	0	111.8	L174 T175 M180 L181 R182 I187 W189 A190 R191 A194 V221 Q222 L236	L174-Y178 WeakPolarHBondContact O-CB 3.3Å; L174-Y178 PolarHBondContact O-N 3.45Å; L174-Y178 VanDerWaalsContact O-N 3.09Å; T175-Y178 PolarHBondContact O-N 3.31Å; Y178-M180 PolarHBondContact O-N 3.01Å; Y178-L181 PolarHBondContact O-N 3.47Å; Y178-R182 WeakPolarHBondContact O-CB 3.32Å; Y178-R182 PolarHBondContact O-N 3.03Å; Y178-I187 HydrophobicContact CD2-CD1 3.8Å; Y178-I187 HydrophobicContact CE2-CD1 3.85Å; Y178-W189 HydrophobicContact CE2-CH2 4.44Å; Y178-W189 HydrophobicContact CE2-CZ3 4.3Å; Y178-A190 HydrophobicContact CE2-CB 3.75Å; Y178-A190 WeakPolarHBondContact OH-CA 3.22Å; Y178-A190 WeakPolarHBondContact OH-CB 3.48Å; Y178-R191 WeakPolarHBondContact CE1-O 3.25Å; Y178-R191 PolarHBondContact OH-N 3.37Å; Y178-R191 VanDerWaalsContact OH-N 3.1Å; Y178-R191 PolarHBondContact OH-O 3.35Å; Y178-A194 HydrophobicContact CD1-CB 3.6Å; Y178-A194 HydrophobicContact CE1-CB 3.7Å; Y178-A194 HydrophobicContact CG-CB 4.48Å; Y178-V221 HydrophobicContact CD1-CG1 4.43Å; Y178-V221 HydrophobicContact CD2-CB 4.23Å; Y178-V221 HydrophobicContact CD2-CG1 3.81Å; Y178-V221 HydrophobicContact CE1-CB 4.3Å; Y178-V221 HydrophobicContact CE1-CG1 4.39Å; Y178-V221 HydrophobicContact CE2-CB 3.63Å; Y178-V221 HydrophobicContact CE2-CG1 3.76Å; Y178-V221 HydrophobicContact CE2-CG2 3.87Å; Y178-V221 HydrophobicContact CG-CG1 4.14Å; Y178-Q222 PolarHBondContact OH-O 2.95Å; Y178-L236 HydrophobicContact CD2-CD2 4.02Å; Y178-L236 HydrophobicContact CE2-CD2 4.44Å
179	Q	98.1	Very high	97.9	Very high	16 Å²	16	39.2 Å²	39.2	8%	0.075	21%	0.214	C	C	.	.	H	α-helix	trans	-58	-47.7	175.8	174.8	180	-7.5	0	0	111.8	V42 T175 A176 L181 R182 E183	V42-Q179 VanDerWaalsContact CG1-OE1 3.29Å; V42-Q179 HydrophobicContact CG2-CG 4.25Å; T175-Q179 WeakPolarHBondContact O-CB 3.12Å; T175-Q179 PolarHBondContact O-N 2.99Å; A176-Q179 PolarHBondContact O-N 3.24Å; Q179-L181 VanDerWaalsContact C-N 3.34Å; Q179-L181 PolarHBondContact O-N 3.3Å; Q179-R182 WeakPolarHBondContact O-CB 3.48Å; Q179-R182 PolarHBondContact O-N 2.9Å; Q179-E183 HydrophobicContact CG-CG 4.28Å; Q179-E183 WeakPolarHBondContact CG-OE1 3.39Å; Q179-E183 PolarHBondContact NE2-OE1 2.93Å; Q179-E183 WeakPolarHBondContact O-CB 3.41Å; Q179-E183 WeakPolarHBondContact O-CG 3.49Å; Q179-E183 PolarHBondContact O-N 3.43Å
180	M	98.2	Very high	97.9	Very high	87 Å²	87	39 Å²	39	43%	0.429	22%	0.215	S	C	.	.	H	α-helix	trans	-59.8	-41.8	179.9	-172.9	-150.8	72.6	0	0	112.3	A176 R177 Y178 S184	A176-M180 WeakPolarHBondContact O-CB 3.28Å; A176-M180 PolarHBondContact O-N 2.83Å; R177-M180 PolarHBondContact O-N 3.39Å; Y178-M180 PolarHBondContact O-N 3.01Å; M180-S184 WeakPolarHBondContact O-CB 3.21Å; M180-S184 PolarHBondContact O-N 3.48Å; M180-S184 PolarHBondContact O-OG 2.87Å
181	L	98.4	Very high	97.8	Very high	8 Å²	8	40.3 Å²	40.3	4%	0.042	22%	0.219	C	C	.	.	H	α-helix	trans	-70	-35	177.2	-64.7	174.5	0	0	0	112.3	R177 Y178 Q179 S184 S185 S186 I187 E239 V240	R177-L181 HydrophobicContact CG-CD1 4.48Å; R177-L181 WeakPolarHBondContact O-CG 3.37Å; R177-L181 PolarHBondContact O-N 3.18Å; R177-L181 VanDerWaalsContact O-N 3.08Å; Y178-L181 PolarHBondContact O-N 3.47Å; Q179-L181 VanDerWaalsContact C-N 3.34Å; Q179-L181 PolarHBondContact O-N 3.3Å; L181-S184 WeakPolarHBondContact CA-OG 3.33Å; L181-S184 PolarHBondContact O-OG 2.88Å; L181-S185 PolarHBondContact O-N 3.23Å; L181-S186 PolarHBondContact O-N 2.82Å; L181-I187 HydrophobicContact CB-CD1 3.64Å; L181-I187 HydrophobicContact CB-CG1 3.64Å; L181-I187 HydrophobicContact CD1-CD1 4.36Å; L181-I187 PolarHBondContact O-N 2.79Å; L181-E239 HydrophobicContact CD1-CB 3.69Å; L181-V240 HydrophobicContact CD1-CG2 3.71Å
182	R	97.9	Very high	97.8	Very high	31 Å²	31	40.4 Å²	40.4	12%	0.117	22%	0.22	C	C	.	.	H	α-helix	trans	-64.4	-49.6	173	-179.9	-175.6	62.7	71.7	4.7	111.2	I105 Y178 Q179 S184 S185 A190	I105-R182 PolarHBondContact O-NH1 3.46Å; I105-R182 PolarHBondContact O-NH2 3.43Å; I105-R182 VanDerWaalsContact O-NH2 3.1Å; Y178-R182 WeakPolarHBondContact O-CB 3.32Å; Y178-R182 PolarHBondContact O-N 3.03Å; Q179-R182 WeakPolarHBondContact O-CB 3.48Å; Q179-R182 PolarHBondContact O-N 2.9Å; R182-S184 VanDerWaalsContact C-N 3.34Å; R182-S184 PolarHBondContact O-N 3.15Å; R182-S185 PolarHBondContact O-N 2.75Å; R182-A190 HydrophobicContact CB-CB 3.86Å; R182-A190 HydrophobicContact CG-CB 3.87Å
183	E	96.8	Very high	97.8	Very high	96 Å²	96	40 Å²	40	45%	0.449	22%	0.219	S	C	.	.	H	α-helix	trans	-68.3	-32.3	-176.8	-71.8	173.6	-178.6	0	0	112.6	Q179 S185	Q179-E183 HydrophobicContact CG-CG 4.28Å; Q179-E183 WeakPolarHBondContact CG-OE1 3.39Å; Q179-E183 PolarHBondContact NE2-OE1 2.93Å; Q179-E183 WeakPolarHBondContact O-CB 3.41Å; Q179-E183 WeakPolarHBondContact O-CG 3.49Å; Q179-E183 PolarHBondContact O-N 3.43Å; E183-S185 PolarHBondContact O-N 3.21Å
184	S	97.4	Very high	97.8	Very high	67 Å²	67	35.3 Å²	35.3	47%	0.469	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-1.4	171.7	59.4	0	0	0	0	114.2	M180 L181 R182 S186	M180-S184 WeakPolarHBondContact O-CB 3.21Å; M180-S184 PolarHBondContact O-N 3.48Å; M180-S184 PolarHBondContact O-OG 2.87Å; L181-S184 WeakPolarHBondContact CA-OG 3.33Å; L181-S184 PolarHBondContact O-OG 2.88Å; R182-S184 VanDerWaalsContact C-N 3.34Å; R182-S184 PolarHBondContact O-N 3.15Å; S184-S186 PolarHBondContact O-N 3.26Å; S184-S186 PolarHBondContact OG-OG 2.89Å
185	S	95.7	Very high	97.8	Very high	84 Å²	84	38.5 Å²	38.5	59%	0.587	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	20.1	-173.5	-55.3	0	0	0	0	114.9	L181 R182 E183 I187	L181-S185 PolarHBondContact O-N 3.23Å; R182-S185 PolarHBondContact O-N 2.75Å; E183-S185 PolarHBondContact O-N 3.21Å; S185-I187 VanDerWaalsContact C-N 3.29Å; S185-I187 PolarHBondContact O-N 3.15Å
186	S	97	Very high	97.8	Very high	63 Å²	63	38.7 Å²	38.7	44%	0.441	22%	0.216	S	C	.	.	S	Bend	trans	-66.9	-32.7	174.8	-58.7	0	0	0	0	111.7	L181 S184 P188	L181-S186 PolarHBondContact O-N 2.82Å; S184-S186 PolarHBondContact O-N 3.26Å; S184-S186 PolarHBondContact OG-OG 2.89Å; S186-P188 WeakPolarHBondContact O-CD 3.4Å
187	I	97	Very high	97.8	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	22%	0.218	C	C	.	.	S	Bend	trans	-119	78.2	172.1	51.7	177.9	0	0	0	109.9	Y178 L181 S185 W189 A190	Y178-I187 HydrophobicContact CD2-CD1 3.8Å; Y178-I187 HydrophobicContact CE2-CD1 3.85Å; L181-I187 HydrophobicContact CB-CD1 3.64Å; L181-I187 HydrophobicContact CB-CG1 3.64Å; L181-I187 HydrophobicContact CD1-CD1 4.36Å; L181-I187 PolarHBondContact O-N 2.79Å; S185-I187 VanDerWaalsContact C-N 3.29Å; S185-I187 PolarHBondContact O-N 3.15Å; I187-W189 HydrophobicContact CB-CD2 4.45Å; I187-W189 HydrophobicContact CB-CZ2 3.89Å; I187-W189 HydrophobicContact CD1-CH2 4.35Å; I187-W189 HydrophobicContact CD1-CZ2 4.35Å; I187-W189 HydrophobicContact CG2-CZ2 3.89Å; I187-W189 PolarHBondContact O-N 3.32Å; I187-A190 HydrophobicContact CB-CB 4.27Å; I187-A190 HydrophobicContact CD1-CB 3.68Å; I187-A190 HydrophobicContact CG1-CB 3.63Å; I187-A190 WeakPolarHBondContact O-CB 3.42Å; I187-A190 PolarHBondContact O-N 2.92Å
188	P	96.1	Very high	97.9	Very high	110 Å²	110	36.5 Å²	36.5	71%	0.714	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-15.3	-168.5	25.9	-35.5	0	0	0	114.5	S186 A190	S186-P188 WeakPolarHBondContact O-CD 3.4Å; P188-A190 VanDerWaalsContact C-N 3.33Å
189	W	97.1	Very high	97.9	Very high	18 Å²	18	36.8 Å²	36.8	7%	0.068	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-14.8	174.3	53.5	-98.8	0	0	0	113.4	Y178 I187 V221 H223 S224 I227 L232 Q235 L236	Y178-W189 HydrophobicContact CE2-CH2 4.44Å; Y178-W189 HydrophobicContact CE2-CZ3 4.3Å; I187-W189 HydrophobicContact CB-CD2 4.45Å; I187-W189 HydrophobicContact CB-CZ2 3.89Å; I187-W189 HydrophobicContact CD1-CH2 4.35Å; I187-W189 HydrophobicContact CD1-CZ2 4.35Å; I187-W189 HydrophobicContact CG2-CZ2 3.89Å; I187-W189 PolarHBondContact O-N 3.32Å; W189-V221 HydrophobicContact CH2-CG2 4.42Å; W189-V221 HydrophobicContact CZ3-CG2 4.05Å; W189-H223 HydrophobicContact CE3-CB 3.63Å; W189-H223 HydrophobicContact CZ3-CB 3.99Å; W189-H223 CarbonylContact O-C 3.53Å; W189-H223 WeakPolarHBondContact O-CA 3.41Å; W189-S224 PolarHBondContact O-N 2.85Å; W189-I227 HydrophobicContact CB-CB 4.03Å; W189-I227 HydrophobicContact CB-CG2 3.77Å; W189-I227 HydrophobicContact CD2-CD1 3.78Å; W189-I227 HydrophobicContact CD2-CG2 3.94Å; W189-I227 HydrophobicContact CE3-CG2 4.11Å; W189-I227 HydrophobicContact CG-CB 4.01Å; W189-I227 HydrophobicContact CG-CD1 3.68Å; W189-I227 HydrophobicContact CG-CG1 4.45Å; W189-I227 HydrophobicContact CG-CG2 3.8Å; W189-I227 HydrophobicContact CZ2-CD1 4.21Å; W189-L232 HydrophobicContact CE3-CD1 3.95Å; W189-L232 HydrophobicContact CE3-CG 4.49Å; W189-L232 HydrophobicContact CH2-CD1 3.99Å; W189-L232 HydrophobicContact CH2-CG 3.73Å; W189-L232 HydrophobicContact CZ2-CG 4.31Å; W189-L232 HydrophobicContact CZ3-CD1 3.53Å; W189-L232 HydrophobicContact CZ3-CG 3.83Å; W189-Q235 HydrophobicContact CZ2-CB 4.27Å; W189-L236 HydrophobicContact CH2-CD2 4.18Å; W189-L236 HydrophobicContact CH2-CG 4.25Å
190	A	98.1	Very high	97.9	Very high	11 Å²	11	36 Å²	36	9%	0.091	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	136.1	-174.1	0	0	0	0	0	112	Y178 R182 I187 P188	Y178-A190 HydrophobicContact CE2-CB 3.75Å; Y178-A190 WeakPolarHBondContact OH-CA 3.22Å; Y178-A190 WeakPolarHBondContact OH-CB 3.48Å; R182-A190 HydrophobicContact CB-CB 3.86Å; R182-A190 HydrophobicContact CG-CB 3.87Å; I187-A190 HydrophobicContact CB-CB 4.27Å; I187-A190 HydrophobicContact CD1-CB 3.68Å; I187-A190 HydrophobicContact CG1-CB 3.63Å; I187-A190 WeakPolarHBondContact O-CB 3.42Å; I187-A190 PolarHBondContact O-N 2.92Å; P188-A190 VanDerWaalsContact C-N 3.33Å
191	R	98.4	Very high	97.9	Very high	27 Å²	27	32.4 Å²	32.4	10%	0.102	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	164.4	175.9	-66	-178.2	171.9	-168	-12.4	111.2	S111 K112 Y178 D193 Q222 W265	S111-R191 VanDerWaalsContact O-CZ 3.23Å; S111-R191 PolarHBondContact O-NH1 2.93Å; S111-R191 PolarHBondContact O-NH2 3.38Å; K112-R191 HydrophobicContact CG-CG 4.45Å; Y178-R191 WeakPolarHBondContact CE1-O 3.25Å; Y178-R191 PolarHBondContact OH-N 3.37Å; Y178-R191 VanDerWaalsContact OH-N 3.1Å; Y178-R191 PolarHBondContact OH-O 3.35Å; R191-D193 PolarHBondContact O-N 3.41Å; R191-Q222 HydrophobicContact CB-CB 3.85Å; R191-Q222 VanDerWaalsContact CB-CD 3.44Å; R191-Q222 HydrophobicContact CB-CG 3.62Å; R191-Q222 HydrophobicContact CG-CG 4.44Å; R191-Q222 PolarHBondContact N-O 3.39Å; R191-W265 PolarHBondContact NH1-O 2.89Å
192	P	98.3	Very high	97.9	Very high	3 Å²	3	32 Å²	32	2%	0.019	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	-35.7	-164.8	-26.5	36.4	0	0	0	116.3	G43 I105 G106 Y107	G43-P192 WeakPolarHBondContact CA-O 3.3Å; G43-P192 PolarHBondContact N-O 3.45Å; I105-P192 HydrophobicContact CG2-CB 4.11Å; G106-P192 WeakPolarHBondContact O-CG 3.45Å; Y107-P192 HydrophobicContact CD1-CG 4.02Å; Y107-P192 HydrophobicContact CD2-CB 4.33Å; Y107-P192 HydrophobicContact CD2-CG 4.41Å; Y107-P192 HydrophobicContact CE1-CB 4.1Å; Y107-P192 HydrophobicContact CE1-CG 3.93Å; Y107-P192 HydrophobicContact CE2-CB 3.89Å; Y107-P192 HydrophobicContact CE2-CG 4.35Å; Y107-P192 HydrophobicContact CG-CG 4.25Å
193	D	98.5	Very high	97.9	Very high	2 Å²	2	32 Å²	32	1%	0.011	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	129.9	-175.2	-167.5	-0.8	0	0	0	111.9	H44 R191 Q222 G268	H44-D193 WeakPolarHBondContact CA-OD1 3.14Å; R191-D193 PolarHBondContact O-N 3.41Å; D193-Q222 HydrophobicContact CB-CB 3.92Å; D193-Q222 WeakPolarHBondContact O-CB 3.37Å; D193-Q222 PolarHBondContact O-N 2.78Å; D193-G268 PolarHBondContact OD2-N 3.08Å
194	A	98.5	Very high	97.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	145	-177.9	0	0	0	0	0	110.9	V40 G41 Y178 S220 V221	V40-A194 CarbonylContact C-O 3.59Å; V40-A194 VanDerWaalsContact CA-O 3.31Å; V40-A194 WeakPolarHBondContact CA-O 3.41Å; G41-A194 PolarHBondContact N-O 2.64Å; Y178-A194 HydrophobicContact CD1-CB 3.6Å; Y178-A194 HydrophobicContact CE1-CB 3.7Å; Y178-A194 HydrophobicContact CG-CB 4.48Å; A194-S220 CarbonylContact C-O 3.51Å; A194-S220 WeakPolarHBondContact CA-O 3.31Å; A194-V221 HydrophobicContact CB-CG1 4.16Å
195	K	98.7	Very high	97.8	Very high	67 Å²	67	32.2 Å²	32.2	29%	0.291	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	141.1	176.6	-52.3	-179.4	-179.3	174.8	0	108.8	S39 V40 M219 S220 D272	S39-K195 WeakPolarHBondContact O-CA 3.47Å; V40-K195 HydrophobicContact CG1-CB 4.49Å; V40-K195 HydrophobicContact CG1-CG 4.1Å; K195-M219 WeakPolarHBondContact O-CA 3.47Å; K195-S220 PolarHBondContact N-O 3.41Å; K195-S220 PolarHBondContact O-N 2.91Å; K195-D272 IonicContact NZ-OD2 2.61Å
196	S	98.8	Very high	97.6	Very high	4 Å²	4	35.3 Å²	35.3	3%	0.028	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	149.7	174.2	66.2	0	0	0	0	110.6	E38 S39 A171 V218	E38-S196 CarbonylContact C-O 3.59Å; E38-S196 VanDerWaalsContact CA-O 3.23Å; E38-S196 WeakPolarHBondContact CA-O 3.42Å; E38-S196 WeakPolarHBondContact CB-O 3.44Å; S39-S196 WeakPolarHBondContact CB-OG 3.25Å; S39-S196 PolarHBondContact N-O 3.43Å; S39-S196 PolarHBondContact O-N 3.25Å; A171-S196 VanDerWaalsContact C-OG 3.29Å; A171-S196 WeakPolarHBondContact CA-OG 3.41Å; A171-S196 PolarHBondContact O-OG 2.64Å; S196-V218 CarbonylContact C-O 3.49Å; S196-V218 VanDerWaalsContact CA-O 3.3Å; S196-V218 WeakPolarHBondContact CA-O 3.47Å
197	Q	98.9	Very high	97.6	Very high	68 Å²	68	33.2 Å²	33.2	32%	0.318	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	133.8	174.6	-171.8	-176.1	-68.4	0	0	109.2	T36 S37 E38 I217 V218	T36-Q197 HydrophobicContact CG2-CG 3.32Å; S37-Q197 WeakPolarHBondContact O-CA 3.44Å; E38-Q197 HydrophobicContact CB-CB 4.31Å; E38-Q197 HydrophobicContact CB-CG 4.26Å; Q197-I217 CarbonylContact O-C 3.56Å; Q197-I217 WeakPolarHBondContact O-CA 3.37Å; Q197-V218 HydrophobicContact CB-CB 4.05Å; Q197-V218 HydrophobicContact CB-CG2 4.38Å; Q197-V218 PolarHBondContact N-O 3.39Å; Q197-V218 PolarHBondContact O-N 2.92Å
198	V	98.9	Very high	97.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	124.7	-178.3	-178	0	0	0	0	109.2	T36 S37 L170 A171 L174 V200 L214	T36-V198 WeakPolarHBondContact CA-O 3.2Å; S37-V198 PolarHBondContact N-O 2.91Å; S37-V198 PolarHBondContact O-N 3.37Å; L170-V198 HydrophobicContact CB-CG1 4.21Å; L170-V198 HydrophobicContact CB-CG2 4.03Å; L170-V198 HydrophobicContact CD1-CG1 4.26Å; A171-V198 HydrophobicContact CB-CG2 4.17Å; L174-V198 HydrophobicContact CD1-CG2 3.64Å; V198-V200 HydrophobicContact CG1-CG2 4.05Å; V198-L214 HydrophobicContact CG1-CD2 4.34Å
199	T	98.9	Very high	97.6	Very high	8 Å²	8	28 Å²	28	5%	0.049	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	127.6	172.7	-49.9	0	0	0	0	109.3	L34 F35 T36 H215 S216	L34-T199 HydrophobicContact CB-CG2 4.01Å; F35-T199 CarbonylContact O-C 3.55Å; F35-T199 VanDerWaalsContact O-CA 3.31Å; F35-T199 WeakPolarHBondContact O-CA 3.21Å; T36-T199 WeakPolarHBondContact OG1-CB 3.28Å; T36-T199 WeakPolarHBondContact OG1-CG2 3.46Å; T36-T199 PolarHBondContact OG1-OG1 2.74Å; T199-H215 HydrophobicContact CG2-CB 4.03Å; T199-H215 PolarHBondContact O-N 3.37Å; T199-S216 VanDerWaalsContact CB-OG 3.26Å; T199-S216 WeakPolarHBondContact CB-OG 3.44Å; T199-S216 PolarHBondContact N-O 3.29Å; T199-S216 PolarHBondContact O-N 3.49Å; T199-S216 PolarHBondContact OG1-OG 2.83Å
200	V	98.8	Very high	97.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	138.2	178.6	174.8	0	0	0	0	108.8	L34 F35 L166 T167 V198 Y202 P211 R213 L214	L34-V200 WeakPolarHBondContact CA-O 3.43Å; F35-V200 PolarHBondContact N-O 3.01Å; F35-V200 PolarHBondContact O-N 2.71Å; L166-V200 HydrophobicContact CD2-CG2 4.46Å; T167-V200 HydrophobicContact CG2-CB 3.67Å; T167-V200 HydrophobicContact CG2-CG2 3.52Å; V198-V200 HydrophobicContact CG1-CG2 4.05Å; V200-Y202 HydrophobicContact CB-CD2 3.9Å; V200-Y202 HydrophobicContact CB-CE2 3.39Å; V200-Y202 HydrophobicContact CG1-CD2 3.72Å; V200-Y202 HydrophobicContact CG1-CE1 4.21Å; V200-Y202 HydrophobicContact CG1-CE2 3.4Å; V200-Y202 HydrophobicContact CG1-CG 4.28Å; V200-Y202 HydrophobicContact CG2-CE2 4.4Å; V200-Y202 WeakPolarHBondContact O-CD2 3.18Å; V200-P211 HydrophobicContact CG1-CB 3.84Å; V200-R213 WeakPolarHBondContact CA-O 3.39Å; V200-R213 WeakPolarHBondContact CG1-O 3.4Å; V200-L214 HydrophobicContact CG2-CD2 3.6Å
201	A	98.4	Very high	97.6	Very high	12 Å²	12	28.7 Å²	28.7	10%	0.099	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	127.5	165.2	0	0	0	0	0	108.9	F33 L34 L212 R213	F33-A201 CarbonylContact O-C 3.39Å; F33-A201 WeakPolarHBondContact O-CA 2.95Å; L34-A201 HydrophobicContact CD2-CB 3.77Å; A201-L212 WeakPolarHBondContact O-CA 3.34Å; A201-L212 WeakPolarHBondContact O-CB 3.37Å; A201-L212 PolarHBondContact O-N 3.08Å; A201-R213 HydrophobicContact CB-CG 3.86Å; A201-R213 PolarHBondContact N-O 3.24Å; A201-R213 PolarHBondContact O-N 2.88Å
202	Y	98.3	Very high	97.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	160.1	-177.9	-78.9	-85.1	0	0	0	110.7	S32 F33 F35 E159 T167 V200 C209 V210 P211 W288	S32-Y202 CarbonylContact C-O 3.57Å; S32-Y202 WeakPolarHBondContact CA-O 3.44Å; S32-Y202 WeakPolarHBondContact CB-O 3.49Å; F33-Y202 HydrophobicContact CE2-CD2 4.31Å; F33-Y202 HydrophobicContact CE2-CG 4.23Å; F33-Y202 HydrophobicContact CZ-CG 4.08Å; F33-Y202 PolarHBondContact N-O 3.29Å; F33-Y202 PolarHBondContact O-N 3.06Å; F35-Y202 HydrophobicContact CB-CD2 3.96Å; F35-Y202 HydrophobicContact CB-CE2 4.06Å; E159-Y202 WeakPolarHBondContact OE2-CE1 3.5Å; E159-Y202 VanDerWaalsContact OE2-CZ 3.27Å; E159-Y202 PolarHBondContact OE2-OH 2.85Å; T167-Y202 HydrophobicContact CG2-CE2 3.75Å; V200-Y202 HydrophobicContact CB-CD2 3.9Å; V200-Y202 HydrophobicContact CB-CE2 3.39Å; V200-Y202 HydrophobicContact CG1-CD2 3.72Å; V200-Y202 HydrophobicContact CG1-CE1 4.21Å; V200-Y202 HydrophobicContact CG1-CE2 3.4Å; V200-Y202 HydrophobicContact CG1-CG 4.28Å; V200-Y202 HydrophobicContact CG2-CE2 4.4Å; V200-Y202 WeakPolarHBondContact O-CD2 3.18Å; Y202-C209 HydrophobicContact CD1-CB 4.02Å; Y202-C209 HydrophobicContact CE1-CB 4.15Å; Y202-V210 WeakPolarHBondContact CA-O 3.42Å; Y202-V210 VanDerWaalsContact CD1-C 3.49Å; Y202-V210 WeakPolarHBondContact CD1-O 3.36Å; Y202-P211 HydrophobicContact CD1-CB 4.16Å; Y202-P211 HydrophobicContact CE1-CB 3.68Å; Y202-P211 HydrophobicContact CE1-CG 4.33Å; Y202-W288 HydrophobicContact CD2-CH2 4.39Å; Y202-W288 HydrophobicContact CD2-CZ2 4.11Å; Y202-W288 HydrophobicContact CE1-CZ2 4.4Å; Y202-W288 HydrophobicContact CE2-CH2 4.31Å; Y202-W288 AromaticContact CE2-CZ2 3.62Å; Y202-W288 HydrophobicContact CE2-CZ2 3.62Å; Y202-W288 AromaticContact CZ-CZ2 3.8Å
203	K	97.5	Very high	97.6	Very high	31 Å²	31	32.6 Å²	32.6	14%	0.135	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	160.4	156.5	62.1	174.3	179.3	164.1	0	110	E30 E205 V210 L212	E30-K203 HydrophobicContact CB-CD 4.27Å; E30-K203 IonicContact OE1-NZ 3.93Å; E30-K203 WeakPolarHBondContact OE2-CD 3.12Å; E30-K203 WeakPolarHBondContact OE2-CE 3.34Å; E30-K203 IonicContact OE2-NZ 2.64Å; E30-K203 PolarHBondContact OE2-NZ 2.9Å; K203-E205 HydrophobicContact CD-CG 4.34Å; K203-E205 WeakPolarHBondContact CE-OE1 3.41Å; K203-E205 IonicContact NZ-OE1 2.56Å; K203-E205 PolarHBondContact NZ-OE1 2.95Å; K203-V210 HydrophobicContact CG-CB 4.02Å; K203-V210 PolarHBondContact N-O 2.78Å; K203-V210 PolarHBondContact O-N 3.06Å; K203-L212 HydrophobicContact CB-CD1 4.17Å; K203-L212 HydrophobicContact CD-CD2 3.88Å; K203-L212 HydrophobicContact CG-CD1 4.27Å; K203-L212 HydrophobicContact CG-CD2 3.83Å; K203-L212 HydrophobicContact CG-CG 4.19Å
204	F	96.4	Very high	97.6	Very high	105 Å²	105	32.5 Å²	32.5	46%	0.461	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	130.4	168	-70.2	-59.5	0	0	0	110.8	F33 A208	F33-F204 HydrophobicContact CD1-CD2 4.18Å; F33-F204 AromaticContact CD1-CE2 3.95Å; F33-F204 HydrophobicContact CD1-CE2 3.95Å; F33-F204 HydrophobicContact CD1-CZ 4.43Å; F33-F204 HydrophobicContact CE1-CD1 4.11Å; F33-F204 AromaticContact CE1-CD2 3.61Å; F33-F204 HydrophobicContact CE1-CD2 3.61Å; F33-F204 AromaticContact CE1-CE1 3.9Å; F33-F204 HydrophobicContact CE1-CE1 3.9Å; F33-F204 AromaticContact CE1-CE2 3.38Å; F33-F204 HydrophobicContact CE1-CE2 3.38Å; F33-F204 AromaticContact CE1-CG 3.97Å; F33-F204 HydrophobicContact CE1-CG 3.97Å; F33-F204 AromaticContact CE1-CZ 3.53Å; F33-F204 HydrophobicContact CE1-CZ 3.53Å; F33-F204 HydrophobicContact CE2-CZ 4.27Å; F33-F204 HydrophobicContact CZ-CD1 4.32Å; F33-F204 HydrophobicContact CZ-CD2 4.37Å; F33-F204 AromaticContact CZ-CE1 3.73Å; F33-F204 HydrophobicContact CZ-CE1 3.73Å; F33-F204 AromaticContact CZ-CE2 3.79Å; F33-F204 HydrophobicContact CZ-CE2 3.79Å; F33-F204 AromaticContact CZ-CZ 3.42Å; F33-F204 HydrophobicContact CZ-CZ 3.42Å; F33-F204 VanDerWaalsContact CZ-CZ 3.42Å; F204-A208 WeakPolarHBondContact CA-O 3.5Å
205	E	95.1	Very high	97.6	Very high	62 Å²	62	35.3 Å²	35.3	29%	0.29	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	103	168.7	-71.1	-175.1	178.3	0	0	109	K203 G207 A208 V210 R326	K203-E205 HydrophobicContact CD-CG 4.34Å; K203-E205 WeakPolarHBondContact CE-OE1 3.41Å; K203-E205 IonicContact NZ-OE1 2.56Å; K203-E205 PolarHBondContact NZ-OE1 2.95Å; E205-G207 PolarHBondContact O-N 2.88Å; E205-A208 PolarHBondContact N-O 3.17Å; E205-A208 WeakPolarHBondContact O-CB 3.48Å; E205-A208 PolarHBondContact O-N 2.8Å; E205-V210 HydrophobicContact CB-CG2 3.96Å; E205-V210 HydrophobicContact CG-CG2 3.8Å; E205-R326 IonicContact OE2-NH1 2.88Å
206	N	93.2	Very high	97.6	Very high	148 Å²	148	32.8 Å²	32.8	79%	0.791	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	49	43.1	-177.1	-58.4	-51.9	0	0	0	112.9	A208 T351	N206-A208 VanDerWaalsContact C-N 3.31Å; N206-A208 PolarHBondContact O-N 2.84Å; N206-T351 WeakPolarHBondContact O-CG2 3.1Å
207	G	95.3	Very high	97.6	Very high	20 Å²	20	32.6 Å²	32.6	21%	0.206	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.3	-15.3	-179.9	0	0	0	0	0	116.2	E205 R327 Y349 T351	E205-G207 PolarHBondContact O-N 2.88Å; G207-R327 WeakPolarHBondContact O-CD 3.3Å; G207-R327 PolarHBondContact O-NH1 2.89Å; G207-Y349 VanDerWaalsContact CA-O 3.28Å; G207-Y349 WeakPolarHBondContact CA-O 3.49Å; G207-T351 VanDerWaalsContact C-CG2 3.43Å
208	A	97.2	Very high	97.6	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.008	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	140.7	173.3	0	0	0	0	0	110	F204 E205 N206 R326 T351	F204-A208 WeakPolarHBondContact CA-O 3.5Å; E205-A208 PolarHBondContact N-O 3.17Å; E205-A208 WeakPolarHBondContact O-CB 3.48Å; E205-A208 PolarHBondContact O-N 2.8Å; N206-A208 VanDerWaalsContact C-N 3.31Å; N206-A208 PolarHBondContact O-N 2.84Å; A208-R326 HydrophobicContact CB-CB 4.15Å; A208-T351 HydrophobicContact CB-CG2 4.01Å; A208-T351 VanDerWaalsContact N-CG2 3.33Å
209	C	96.6	Very high	97.6	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.007	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	121.6	172.6	-63.6	0	0	0	0	108.6	E159 Y202 W288 R327	E159-C209 HydrophobicContact CG-CB 4.2Å; E159-C209 WeakPolarHBondContact CG-O 3.36Å; E159-C209 WeakPolarHBondContact OE1-CB 3.28Å; Y202-C209 HydrophobicContact CD1-CB 4.02Å; Y202-C209 HydrophobicContact CE1-CB 4.15Å; C209-W288 HydrophobicContact CB-CH2 4.29Å; C209-W288 HydrophobicContact CB-CZ3 4.49Å; C209-W288 WeakPolarHBondContact SG-CZ3 3.48Å; C209-R327 PolarHBondContact SG-NH1 3.37Å
210	V	97.7	Very high	97.6	Very high	27 Å²	27	31.4 Å²	31.4	16%	0.164	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	111.4	177.6	-177.9	0	0	0	0	109.2	Y202 K203 E205 L212	Y202-V210 WeakPolarHBondContact CA-O 3.42Å; Y202-V210 VanDerWaalsContact CD1-C 3.49Å; Y202-V210 WeakPolarHBondContact CD1-O 3.36Å; K203-V210 HydrophobicContact CG-CB 4.02Å; K203-V210 PolarHBondContact N-O 2.78Å; K203-V210 PolarHBondContact O-N 3.06Å; E205-V210 HydrophobicContact CB-CG2 3.96Å; E205-V210 HydrophobicContact CG-CG2 3.8Å; V210-L212 PolarHBondContact O-N 3.37Å
211	P	98	Very high	97.6	Very high	16 Å²	16	31.4 Å²	31.4	10%	0.104	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	126.6	177.8	27.8	-32.8	0	0	0	109.1	L166 V200 Y202 Y249	L166-P211 HydrophobicContact CD2-CB 3.52Å; L166-P211 HydrophobicContact CD2-CG 3.9Å; V200-P211 HydrophobicContact CG1-CB 3.84Å; Y202-P211 HydrophobicContact CD1-CB 4.16Å; Y202-P211 HydrophobicContact CE1-CB 3.68Å; Y202-P211 HydrophobicContact CE1-CG 4.33Å; P211-Y249 HydrophobicContact CB-CE1 4.04Å; P211-Y249 HydrophobicContact CG-CE1 4.04Å; P211-Y249 WeakPolarHBondContact CG-OH 3.43Å
212	L	97.7	Very high	97.6	Very high	73 Å²	73	30.8 Å²	30.8	38%	0.382	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-51	177.5	-60.6	177.3	0	0	0	110	A201 K203 V210	A201-L212 WeakPolarHBondContact O-CA 3.34Å; A201-L212 WeakPolarHBondContact O-CB 3.37Å; A201-L212 PolarHBondContact O-N 3.08Å; K203-L212 HydrophobicContact CB-CD1 4.17Å; K203-L212 HydrophobicContact CD-CD2 3.88Å; K203-L212 HydrophobicContact CG-CD1 4.27Å; K203-L212 HydrophobicContact CG-CD2 3.83Å; K203-L212 HydrophobicContact CG-CG 4.19Å; V210-L212 PolarHBondContact O-N 3.37Å
213	R	98.2	Very high	97.6	Very high	40 Å²	40	30.9 Å²	30.9	15%	0.151	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167	156.2	-171.2	77.3	163	-97.2	59.5	3.5	113.1	V200 A201 H215 Y249 D251 T254	V200-R213 WeakPolarHBondContact CA-O 3.39Å; V200-R213 WeakPolarHBondContact CG1-O 3.4Å; A201-R213 HydrophobicContact CB-CG 3.86Å; A201-R213 PolarHBondContact N-O 3.24Å; A201-R213 PolarHBondContact O-N 2.88Å; R213-H215 PolarHBondContact O-N 2.95Å; R213-Y249 PolarHBondContact NH1-O 3.29Å; R213-Y249 VanDerWaalsContact NH1-O 3.12Å; R213-D251 WeakPolarHBondContact CD-OD2 3.45Å; R213-D251 IonicContact CZ-OD1 3.5Å; R213-D251 IonicContact CZ-OD2 2.76Å; R213-D251 IonicContact NE-OD1 2.73Å; R213-D251 PolarHBondContact NE-OD1 3.37Å; R213-D251 IonicContact NE-OD2 3.75Å; R213-D251 PolarHBondContact NE-OD2 3.08Å; R213-D251 IonicContact NH1-OD1 3.08Å; R213-D251 PolarHBondContact NH1-OD1 3.11Å; R213-D251 VanDerWaalsContact NH1-OD1 3.13Å; R213-D251 IonicContact NH1-OD2 3.4Å; R213-D251 PolarHBondContact NH1-OD2 3.43Å; R213-D251 IonicContact NH2-OD1 2.66Å; R213-D251 PolarHBondContact NH2-OD1 3.41Å; R213-D251 IonicContact NH2-OD2 3.44Å; R213-T254 PolarHBondContact NH1-OG1 2.97Å; R213-T254 PolarHBondContact NH2-OG1 3.43Å
214	L	98.6	Very high	97.6	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	109.2	174.2	-55.1	-170.9	0	0	0	109.8	L170 V198 V200 I217 C245 Y249 I250 T254	L170-L214 HydrophobicContact CD1-CD1 4.13Å; L170-L214 HydrophobicContact CD1-CD2 3.58Å; V198-L214 HydrophobicContact CG1-CD2 4.34Å; V200-L214 HydrophobicContact CG2-CD2 3.6Å; L214-I217 HydrophobicContact CD1-CD1 3.82Å; L214-I217 HydrophobicContact CD1-CG1 4.39Å; L214-C245 HydrophobicContact CD1-CB 3.66Å; L214-Y249 PolarHBondContact N-O 2.81Å; L214-I250 HydrophobicContact CD1-CG1 4.04Å; L214-T254 HydrophobicContact CB-CG2 4.24Å; L214-T254 WeakPolarHBondContact O-CG2 3.48Å; L214-T254 PolarHBondContact O-OG1 3.34Å
215	H	98.6	Very high	97.6	Very high	59 Å²	59	28.5 Å²	28.5	27%	0.273	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	-54.1	178.1	175.8	-78.7	0	0	0	111.6	L34 T199 R213 Q255	L34-H215 HydrophobicContact CD2-CB 3.9Å; T199-H215 HydrophobicContact CG2-CB 4.03Å; T199-H215 PolarHBondContact O-N 3.37Å; R213-H215 PolarHBondContact O-N 2.95Å; H215-Q255 PolarHBondContact O-N 2.98Å
216	S	98.7	Very high	97.6	Very high	13 Å²	13	32.5 Å²	32.5	9%	0.091	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	145.9	179.3	60.8	0	0	0	0	113.2	T199 Q255	T199-S216 VanDerWaalsContact CB-OG 3.26Å; T199-S216 WeakPolarHBondContact CB-OG 3.44Å; T199-S216 PolarHBondContact N-O 3.29Å; T199-S216 PolarHBondContact O-N 3.49Å; T199-S216 PolarHBondContact OG1-OG 2.83Å; S216-Q255 CarbonylContact C-O 3.28Å; S216-Q255 WeakPolarHBondContact CA-O 3.29Å
217	I	98.9	Very high	97.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127.6	176.4	-59.5	162	0	0	0	107.3	L174 Q197 L214 V241 C245 T254 Q255 V256 H257	L174-I217 HydrophobicContact CD1-CG2 3.85Å; Q197-I217 CarbonylContact O-C 3.56Å; Q197-I217 WeakPolarHBondContact O-CA 3.37Å; L214-I217 HydrophobicContact CD1-CD1 3.82Å; L214-I217 HydrophobicContact CD1-CG1 4.39Å; I217-V241 HydrophobicContact CD1-CG1 3.8Å; I217-V241 HydrophobicContact CG2-CG1 4.36Å; I217-V241 HydrophobicContact CG2-CG2 4.35Å; I217-C245 HydrophobicContact CD1-CB 4.49Å; I217-T254 HydrophobicContact CD1-CG2 4.22Å; I217-Q255 PolarHBondContact N-O 3.45Å; I217-V256 HydrophobicContact CD1-CG2 4.47Å; I217-V256 CarbonylContact O-C 3.5Å; I217-V256 WeakPolarHBondContact O-CA 3.48Å; I217-H257 PolarHBondContact O-N 3.33Å
218	V	98.8	Very high	97.9	Very high	29 Å²	29	28 Å²	28	18%	0.176	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	133.4	174.7	-170	0	0	0	0	108.8	S196 Q197 H257 P260	S196-V218 CarbonylContact C-O 3.49Å; S196-V218 VanDerWaalsContact CA-O 3.3Å; S196-V218 WeakPolarHBondContact CA-O 3.47Å; Q197-V218 HydrophobicContact CB-CB 4.05Å; Q197-V218 HydrophobicContact CB-CG2 4.38Å; Q197-V218 PolarHBondContact N-O 3.39Å; Q197-V218 PolarHBondContact O-N 2.92Å; V218-H257 CarbonylContact C-O 3.59Å; V218-H257 VanDerWaalsContact CA-O 3.3Å; V218-H257 WeakPolarHBondContact CA-O 3.49Å; V218-H257 HydrophobicContact CB-CB 4.42Å; V218-H257 HydrophobicContact CG1-CB 4.17Å; V218-H257 HydrophobicContact CG2-CB 4.14Å; V218-P260 HydrophobicContact CG1-CG 4.05Å
219	M	98.7	Very high	98	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	133.5	165.6	-67	-165.4	71.3	0	0	110.2	L174 K195 V221 V240 V241 H257 L258 N259	L174-M219 HydrophobicContact CB-CE 4.1Å; L174-M219 HydrophobicContact CB-SD 4.02Å; L174-M219 HydrophobicContact CD1-CG 4.48Å; L174-M219 HydrophobicContact CD2-SD 3.92Å; L174-M219 HydrophobicContact CG-SD 4.38Å; K195-M219 WeakPolarHBondContact O-CA 3.47Å; M219-V221 HydrophobicContact CE-CG1 4.06Å; M219-V240 HydrophobicContact CE-CG1 3.88Å; M219-V240 HydrophobicContact SD-CB 4.42Å; M219-V240 HydrophobicContact SD-CG1 3.68Å; M219-V241 HydrophobicContact SD-CG2 4.1Å; M219-H257 PolarHBondContact N-O 3.04Å; M219-L258 HydrophobicContact CB-CD2 3.95Å; M219-L258 HydrophobicContact CG-CD2 4.35Å; M219-N259 PolarHBondContact O-N 3.48Å
220	S	98.7	Very high	98	Very high	22 Å²	22	37.7 Å²	37.7	15%	0.154	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	108.5	171.4	-66.1	0	0	0	0	108	A194 K195 N259	A194-S220 CarbonylContact C-O 3.51Å; A194-S220 WeakPolarHBondContact CA-O 3.31Å; K195-S220 PolarHBondContact N-O 3.41Å; K195-S220 PolarHBondContact O-N 2.91Å; S220-N259 WeakPolarHBondContact CA-OD1 3.49Å
221	V	98.6	Very high	98.1	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	140.7	-176.1	-54.1	0	0	0	0	111	Y178 W189 A194 M219 L232 L236 N259	Y178-V221 HydrophobicContact CD1-CG1 4.43Å; Y178-V221 HydrophobicContact CD2-CB 4.23Å; Y178-V221 HydrophobicContact CD2-CG1 3.81Å; Y178-V221 HydrophobicContact CE1-CB 4.3Å; Y178-V221 HydrophobicContact CE1-CG1 4.39Å; Y178-V221 HydrophobicContact CE2-CB 3.63Å; Y178-V221 HydrophobicContact CE2-CG1 3.76Å; Y178-V221 HydrophobicContact CE2-CG2 3.87Å; Y178-V221 HydrophobicContact CG-CG1 4.14Å; W189-V221 HydrophobicContact CH2-CG2 4.42Å; W189-V221 HydrophobicContact CZ3-CG2 4.05Å; A194-V221 HydrophobicContact CB-CG1 4.16Å; M219-V221 HydrophobicContact CE-CG1 4.06Å; V221-L232 HydrophobicContact CG2-CD1 4.41Å; V221-L232 HydrophobicContact CG2-CD2 4.49Å; V221-L236 HydrophobicContact CG1-CD1 4.35Å; V221-L236 HydrophobicContact CG1-CD2 4.26Å; V221-L236 HydrophobicContact CG2-CD1 3.72Å; V221-L236 HydrophobicContact CG2-CD2 4.21Å; V221-L236 HydrophobicContact CG2-CG 4.44Å; V221-N259 PolarHBondContact N-OD1 2.81Å; V221-N259 PolarHBondContact O-ND2 3.26Å
222	Q	98.6	Very high	98.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	137.7	173.9	-167.7	-164.3	6.8	0	0	109.9	K112 Y178 R191 D193 F264 W265	K112-Q222 PolarHBondContact O-NE2 3.38Å; Y178-Q222 PolarHBondContact OH-O 2.95Å; R191-Q222 HydrophobicContact CB-CB 3.85Å; R191-Q222 VanDerWaalsContact CB-CD 3.44Å; R191-Q222 HydrophobicContact CB-CG 3.62Å; R191-Q222 HydrophobicContact CG-CG 4.44Å; R191-Q222 PolarHBondContact N-O 3.39Å; D193-Q222 HydrophobicContact CB-CB 3.92Å; D193-Q222 WeakPolarHBondContact O-CB 3.37Å; D193-Q222 PolarHBondContact O-N 2.78Å; Q222-F264 VanDerWaalsContact CA-O 3.23Å; Q222-F264 WeakPolarHBondContact CA-O 3.39Å; Q222-F264 HydrophobicContact CB-CD1 4.42Å; Q222-F264 WeakPolarHBondContact CG-O 3.45Å; Q222-W265 PolarHBondContact NE2-O 3.4Å
223	H	98.2	Very high	98.1	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.009	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	160.4	-176	63.3	94.4	0	0	0	113	W189 I227 L232 N259 F264 W265	W189-H223 HydrophobicContact CE3-CB 3.63Å; W189-H223 HydrophobicContact CZ3-CB 3.99Å; W189-H223 CarbonylContact O-C 3.53Å; W189-H223 WeakPolarHBondContact O-CA 3.41Å; H223-I227 HydrophobicContact CB-CG2 4.25Å; H223-L232 HydrophobicContact CB-CD1 3.56Å; H223-L232 VanDerWaalsContact CG-CD1 3.43Å; H223-N259 PolarHBondContact CD2-ND2 3.14Å; H223-F264 PolarHBondContact N-O 2.56Å; H223-F264 PolarHBondContact NE2-N 3.47Å; H223-W265 AromaticContact CE1-CD1 3.44Å; H223-W265 VanDerWaalsContact CE1-CD1 3.44Å; H223-W265 AromaticContact CE1-NE1 3.29Å; H223-W265 PolarHBondContact CE1-NE1 3.35Å; H223-W265 VanDerWaalsContact CE1-NE1 3.29Å; H223-W265 AromaticContact ND1-CD1 3.65Å; H223-W265 AromaticContact ND1-NE1 3.71Å
224	S	97.4	Very high	98.1	Very high	11 Å²	11	47.5 Å²	47.5	8%	0.077	24%	0.239	C	C	.	.			trans	-69.2	157	170.2	90.4	0	0	0	0	110.9	W189 D226	W189-S224 PolarHBondContact O-N 2.85Å; S224-D226 WeakPolarHBondContact CB-OD2 3.48Å; S224-D226 PolarHBondContact O-N 3.11Å; S224-D226 WeakPolarHBondContact OG-CB 3.39Å; S224-D226 PolarHBondContact OG-N 3.25Å; S224-D226 PolarHBondContact OG-OD2 2.54Å
225	P	96.5	Very high	98.1	Very high	74 Å²	74	49.9 Å²	49.9	48%	0.481	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-9.5	173.6	29.3	-35.1	0	0	0	113.6	I227 W265	P225-I227 VanDerWaalsContact C-N 3.28Å; P225-I227 PolarHBondContact O-N 3Å; P225-W265 HydrophobicContact CB-CZ2 4.34Å
226	D	95.5	Very high	98.1	Very high	146 Å²	146	47 Å²	47	78%	0.781	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-6.3	-173.2	-44.2	-59.8	0	0	0	113.9	S224	S224-D226 WeakPolarHBondContact CB-OD2 3.48Å; S224-D226 PolarHBondContact O-N 3.11Å; S224-D226 WeakPolarHBondContact OG-CB 3.39Å; S224-D226 PolarHBondContact OG-N 3.25Å; S224-D226 PolarHBondContact OG-OD2 2.54Å
227	I	97.9	Very high	98.1	Very high	19 Å²	19	49.4 Å²	49.4	10%	0.097	25%	0.249	C	C	.	.	S	Bend	trans	-112.7	131.7	176.5	-169.4	163.5	0	0	0	112	W189 H223 P225 K231 L232	W189-I227 HydrophobicContact CB-CB 4.03Å; W189-I227 HydrophobicContact CB-CG2 3.77Å; W189-I227 HydrophobicContact CD2-CD1 3.78Å; W189-I227 HydrophobicContact CD2-CG2 3.94Å; W189-I227 HydrophobicContact CE3-CG2 4.11Å; W189-I227 HydrophobicContact CG-CB 4.01Å; W189-I227 HydrophobicContact CG-CD1 3.68Å; W189-I227 HydrophobicContact CG-CG1 4.45Å; W189-I227 HydrophobicContact CG-CG2 3.8Å; W189-I227 HydrophobicContact CZ2-CD1 4.21Å; H223-I227 HydrophobicContact CB-CG2 4.25Å; P225-I227 VanDerWaalsContact C-N 3.28Å; P225-I227 PolarHBondContact O-N 3Å; I227-K231 HydrophobicContact CD1-CB 4.02Å; I227-K231 HydrophobicContact CG1-CB 3.92Å; I227-L232 HydrophobicContact CD1-CB 3.94Å; I227-L232 HydrophobicContact CG1-CB 4.12Å; I227-L232 HydrophobicContact CG2-CB 4.35Å; I227-L232 HydrophobicContact CG2-CD1 4.09Å
228	S	97.6	Very high	98	Very high	56 Å²	56	54.2 Å²	54.2	39%	0.392	27%	0.271	S	S	.	.			trans	-68.6	144.8	169.8	63.1	0	0	0	0	111	E230 K231 L232	S228-E230 PolarHBondContact O-N 2.83Å; S228-E230 VanDerWaalsContact O-N 3.15Å; S228-K231 PolarHBondContact O-N 3.04Å; S228-K231 WeakPolarHBondContact OG-CB 3.41Å; S228-K231 WeakPolarHBondContact OG-CG 3.28Å; S228-K231 PolarHBondContact OG-N 3.22Å; S228-L232 PolarHBondContact O-N 2.64Å
229	L	97.9	Very high	98	Very high	45 Å²	45	55.1 Å²	55.1	24%	0.236	27%	0.274	C	S	.	.	H	α-helix	trans	-54.7	-35.3	176.3	-70.3	176	0	0	0	113.5	L232 R233 G262 T263	L229-L232 PolarHBondContact O-N 3.02Å; L229-R233 WeakPolarHBondContact O-CB 3.45Å; L229-R233 WeakPolarHBondContact O-CD 3.3Å; L229-R233 WeakPolarHBondContact O-CG 3.24Å; L229-R233 PolarHBondContact O-N 3.33Å; L229-G262 WeakPolarHBondContact CD2-O 3.49Å; L229-T263 HydrophobicContact CD1-CG2 4.34Å; L229-T263 HydrophobicContact CD2-CG2 4.47Å; L229-T263 HydrophobicContact CG-CG2 4.46Å
230	E	98	Very high	98	Very high	160 Å²	160	55.2 Å²	55.2	75%	0.748	27%	0.274	S	S	*	.	H	α-helix	trans	-60.1	-54.6	177.1	-173.7	-172.3	158.7	0	0	111.9	S228 L232 R233 K234	S228-E230 PolarHBondContact O-N 2.83Å; S228-E230 VanDerWaalsContact O-N 3.15Å; E230-L232 PolarHBondContact O-N 2.99Å; E230-R233 PolarHBondContact O-N 2.79Å; E230-K234 PolarHBondContact O-N 3.4Å
231	K	98.1	Very high	98	Very high	138 Å²	138	54.2 Å²	54.2	60%	0.6	27%	0.267	S	S	*	.	H	α-helix	trans	-59.5	-44.3	176.5	-69.4	179.8	-178.9	-179.6	0	112.1	I227 S228 R233 K234 Q235	I227-K231 HydrophobicContact CD1-CB 4.02Å; I227-K231 HydrophobicContact CG1-CB 3.92Å; S228-K231 PolarHBondContact O-N 3.04Å; S228-K231 WeakPolarHBondContact OG-CB 3.41Å; S228-K231 WeakPolarHBondContact OG-CG 3.28Å; S228-K231 PolarHBondContact OG-N 3.22Å; K231-R233 PolarHBondContact O-N 2.88Å; K231-K234 PolarHBondContact O-N 3.43Å; K231-Q235 WeakPolarHBondContact O-CG 3.19Å; K231-Q235 PolarHBondContact O-N 3.33Å
232	L	98.1	Very high	98	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-58.5	-47.6	177.9	176	152.4	0	0	0	111.2	W189 V221 H223 I227 S228 L229 E230 K234 Q235 L236 N259	W189-L232 HydrophobicContact CE3-CD1 3.95Å; W189-L232 HydrophobicContact CE3-CG 4.49Å; W189-L232 HydrophobicContact CH2-CD1 3.99Å; W189-L232 HydrophobicContact CH2-CG 3.73Å; W189-L232 HydrophobicContact CZ2-CG 4.31Å; W189-L232 HydrophobicContact CZ3-CD1 3.53Å; W189-L232 HydrophobicContact CZ3-CG 3.83Å; V221-L232 HydrophobicContact CG2-CD1 4.41Å; V221-L232 HydrophobicContact CG2-CD2 4.49Å; H223-L232 HydrophobicContact CB-CD1 3.56Å; H223-L232 VanDerWaalsContact CG-CD1 3.43Å; I227-L232 HydrophobicContact CD1-CB 3.94Å; I227-L232 HydrophobicContact CG1-CB 4.12Å; I227-L232 HydrophobicContact CG2-CB 4.35Å; I227-L232 HydrophobicContact CG2-CD1 4.09Å; S228-L232 PolarHBondContact O-N 2.64Å; L229-L232 PolarHBondContact O-N 3.02Å; E230-L232 PolarHBondContact O-N 2.99Å; L232-K234 VanDerWaalsContact C-N 3.34Å; L232-K234 PolarHBondContact O-N 3.09Å; L232-Q235 PolarHBondContact O-N 3.2Å; L232-L236 HydrophobicContact CD2-CD1 3.55Å; L232-L236 HydrophobicContact CD2-CG 4.23Å; L232-L236 HydrophobicContact CG-CD1 4.33Å; L232-L236 WeakPolarHBondContact O-CB 3.29Å; L232-L236 WeakPolarHBondContact O-CG 3.45Å; L232-L236 PolarHBondContact O-N 3.48Å; L232-N259 HydrophobicContact CD2-CB 4.22Å
233	R	98.6	Very high	98	Very high	97 Å²	97	62 Å²	62	37%	0.366	31%	0.312	S	S	.	.	H	α-helix	trans	-63.4	-41.4	179.8	-72.2	172.4	174.6	154.1	2.4	111.5	L229 E230 K231 L237 L258 N259	L229-R233 WeakPolarHBondContact O-CB 3.45Å; L229-R233 WeakPolarHBondContact O-CD 3.3Å; L229-R233 WeakPolarHBondContact O-CG 3.24Å; L229-R233 PolarHBondContact O-N 3.33Å; E230-R233 PolarHBondContact O-N 2.79Å; K231-R233 PolarHBondContact O-N 2.88Å; R233-L237 WeakPolarHBondContact O-CB 3.46Å; R233-L237 PolarHBondContact O-N 2.97Å; R233-L258 HydrophobicContact CB-CB 4.23Å; R233-L258 HydrophobicContact CB-CD1 4.47Å; R233-L258 HydrophobicContact CG-CB 3.85Å; R233-L258 WeakPolarHBondContact CG-O 3.4Å; R233-L258 PolarHBondContact NE-O 3.28Å; R233-L258 WeakPolarHBondContact O-CD1 3.25Å; R233-N259 PolarHBondContact NH2-O 3.33Å
234	K	98.4	Very high	98	Very high	126 Å²	126	63 Å²	63	55%	0.548	32%	0.318	S	S	.	.	H	α-helix	trans	-60.4	-50.5	175.3	-175	179.8	176.9	-177.9	0	111.5	E230 K231 L232 L236 L237 E238	E230-K234 PolarHBondContact O-N 3.4Å; K231-K234 PolarHBondContact O-N 3.43Å; L232-K234 VanDerWaalsContact C-N 3.34Å; L232-K234 PolarHBondContact O-N 3.09Å; K234-L236 PolarHBondContact O-N 3.08Å; K234-L237 PolarHBondContact O-N 3.33Å; K234-E238 VanDerWaalsContact CE-CD 3.49Å; K234-E238 WeakPolarHBondContact CE-OE1 3.43Å; K234-E238 WeakPolarHBondContact CE-OE2 3.46Å; K234-E238 HydrophobicContact CG-CG 4.48Å; K234-E238 IonicContact NZ-OE1 2.62Å; K234-E238 WeakPolarHBondContact O-CG 3.33Å; K234-E238 PolarHBondContact O-N 2.92Å
235	Q	98.1	Very high	98	Very high	50 Å²	50	62.7 Å²	62.7	23%	0.234	32%	0.316	C	S	.	.	H	α-helix	trans	-64.1	-41	179.8	-69.8	-167.1	-75.2	0	0	112.6	W189 K231 L232 L237 E238 E239	W189-Q235 HydrophobicContact CZ2-CB 4.27Å; K231-Q235 WeakPolarHBondContact O-CG 3.19Å; K231-Q235 PolarHBondContact O-N 3.33Å; L232-Q235 PolarHBondContact O-N 3.2Å; Q235-L237 VanDerWaalsContact C-N 3.32Å; Q235-L237 PolarHBondContact O-N 3.37Å; Q235-E238 PolarHBondContact O-N 2.87Å; Q235-E239 WeakPolarHBondContact CG-OE1 3.46Å; Q235-E239 PolarHBondContact NE2-OE1 3.02Å; Q235-E239 WeakPolarHBondContact O-CA 3.44Å; Q235-E239 VanDerWaalsContact O-CB 3.22Å; Q235-E239 WeakPolarHBondContact O-CB 3.35Å; Q235-E239 WeakPolarHBondContact O-CG 3.19Å; Q235-E239 PolarHBondContact O-N 3.05Å
236	L	98.3	Very high	98	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.304	C	S	.	.	I	π-helix	trans	-61.8	-40.3	174.9	-76.4	-178.8	0	0	0	112.2	Y178 W189 V221 L232 K234 V240 V241 L258	Y178-L236 HydrophobicContact CD2-CD2 4.02Å; Y178-L236 HydrophobicContact CE2-CD2 4.44Å; W189-L236 HydrophobicContact CH2-CD2 4.18Å; W189-L236 HydrophobicContact CH2-CG 4.25Å; V221-L236 HydrophobicContact CG1-CD1 4.35Å; V221-L236 HydrophobicContact CG1-CD2 4.26Å; V221-L236 HydrophobicContact CG2-CD1 3.72Å; V221-L236 HydrophobicContact CG2-CD2 4.21Å; V221-L236 HydrophobicContact CG2-CG 4.44Å; L232-L236 HydrophobicContact CD2-CD1 3.55Å; L232-L236 HydrophobicContact CD2-CG 4.23Å; L232-L236 HydrophobicContact CG-CD1 4.33Å; L232-L236 WeakPolarHBondContact O-CB 3.29Å; L232-L236 WeakPolarHBondContact O-CG 3.45Å; L232-L236 PolarHBondContact O-N 3.48Å; K234-L236 PolarHBondContact O-N 3.08Å; L236-V240 HydrophobicContact CD2-CB 4.49Å; L236-V240 HydrophobicContact CD2-CG2 3.93Å; L236-V240 WeakPolarHBondContact O-CA 3.35Å; L236-V240 VanDerWaalsContact O-CB 3.25Å; L236-V240 WeakPolarHBondContact O-CB 3.47Å; L236-V240 PolarHBondContact O-N 3.25Å; L236-V240 VanDerWaalsContact O-N 3.15Å; L236-V241 PolarHBondContact O-N 2.98Å; L236-L258 HydrophobicContact CB-CD1 4Å; L236-L258 HydrophobicContact CB-CD2 4.3Å; L236-L258 HydrophobicContact CD1-CB 4.42Å
237	L	98.4	Very high	98.1	Very high	63 Å²	63	58.6 Å²	58.6	33%	0.33	30%	0.3	S	S	.	.	I	π-helix	trans	-63.1	-53.4	176.5	-178.8	61.8	0	0	0	111	R233 K234 Q235 V241 L242 V256 L258	R233-L237 WeakPolarHBondContact O-CB 3.46Å; R233-L237 PolarHBondContact O-N 2.97Å; K234-L237 PolarHBondContact O-N 3.33Å; Q235-L237 VanDerWaalsContact C-N 3.32Å; Q235-L237 PolarHBondContact O-N 3.37Å; L237-V241 HydrophobicContact CD1-CB 4.27Å; L237-V241 HydrophobicContact CD1-CG1 4.34Å; L237-V241 PolarHBondContact O-N 3.48Å; L237-L242 HydrophobicContact CD1-CD2 4.42Å; L237-L242 HydrophobicContact CD1-CG 4.14Å; L237-L242 HydrophobicContact CG-CD1 4.27Å; L237-L242 HydrophobicContact CG-CG 4.35Å; L237-L242 WeakPolarHBondContact O-CG 3.19Å; L237-L242 PolarHBondContact O-N 2.85Å; L237-V256 HydrophobicContact CD1-CG1 4.25Å; L237-L258 HydrophobicContact CB-CD1 3.84Å
238	E	98.3	Very high	98.1	Very high	100 Å²	100	64 Å²	64	47%	0.467	32%	0.324	S	S	.	.	I	π-helix	trans	-73.3	-40.2	-172.2	-69.1	174.7	173.8	0	0	113.1	K234 Q235 P243	K234-E238 VanDerWaalsContact CE-CD 3.49Å; K234-E238 WeakPolarHBondContact CE-OE1 3.43Å; K234-E238 WeakPolarHBondContact CE-OE2 3.46Å; K234-E238 HydrophobicContact CG-CG 4.48Å; K234-E238 IonicContact NZ-OE1 2.62Å; K234-E238 WeakPolarHBondContact O-CG 3.33Å; K234-E238 PolarHBondContact O-N 2.92Å; Q235-E238 PolarHBondContact O-N 2.87Å; E238-P243 VanDerWaalsContact O-CD 3.25Å; E238-P243 WeakPolarHBondContact O-CD 2.86Å; E238-P243 VanDerWaalsContact O-CG 3.3Å; E238-P243 WeakPolarHBondContact O-CG 3.39Å
239	E	98.5	Very high	98.1	Very high	49 Å²	49	63.2 Å²	63.2	23%	0.229	31%	0.313	C	S	.	.	I	π-helix	trans	-99.1	-20.3	-170.8	-54.8	-179.2	-140.9	0	0	113.4	R177 L181 Q235	R177-E239 PolarHBondContact NE-O 3.22Å; R177-E239 PolarHBondContact NH2-O 3.47Å; L181-E239 HydrophobicContact CD1-CB 3.69Å; Q235-E239 WeakPolarHBondContact CG-OE1 3.46Å; Q235-E239 PolarHBondContact NE2-OE1 3.02Å; Q235-E239 WeakPolarHBondContact O-CA 3.44Å; Q235-E239 VanDerWaalsContact O-CB 3.22Å; Q235-E239 WeakPolarHBondContact O-CB 3.35Å; Q235-E239 WeakPolarHBondContact O-CG 3.19Å; Q235-E239 PolarHBondContact O-N 3.05Å
240	V	98.6	Very high	98.1	Very high	1 Å²	1	63.7 Å²	63.7	1%	0.006	32%	0.316	C	S	.	.	I	π-helix	trans	-116.2	-60.4	-177	-173.1	0	0	0	0	112.8	L174 R177 L181 M219 L236 V244	L174-V240 HydrophobicContact CD2-CG1 4.1Å; R177-V240 HydrophobicContact CB-CG1 4.11Å; R177-V240 HydrophobicContact CG-CB 4.3Å; R177-V240 HydrophobicContact CG-CG1 3.98Å; R177-V240 HydrophobicContact CG-CG2 4.37Å; L181-V240 HydrophobicContact CD1-CG2 3.71Å; M219-V240 HydrophobicContact CE-CG1 3.88Å; M219-V240 HydrophobicContact SD-CB 4.42Å; M219-V240 HydrophobicContact SD-CG1 3.68Å; L236-V240 HydrophobicContact CD2-CB 4.49Å; L236-V240 HydrophobicContact CD2-CG2 3.93Å; L236-V240 WeakPolarHBondContact O-CA 3.35Å; L236-V240 VanDerWaalsContact O-CB 3.25Å; L236-V240 WeakPolarHBondContact O-CB 3.47Å; L236-V240 PolarHBondContact O-N 3.25Å; L236-V240 VanDerWaalsContact O-N 3.15Å; V240-V244 VanDerWaalsContact O-CB 3.32Å; V240-V244 WeakPolarHBondContact O-CB 3.38Å; V240-V244 WeakPolarHBondContact O-CG2 3.44Å; V240-V244 PolarHBondContact O-N 3.38Å
241	V	98.6	Very high	98	Very high	1 Å²	1	59 Å²	59	1%	0.006	30%	0.296	C	S	.	.	I	π-helix	trans	-69.1	-56.2	-171.5	176	0	0	0	0	111.9	L174 I217 M219 L236 L237 V244 C245 V256 L258	L174-V241 HydrophobicContact CD2-CG2 4.2Å; I217-V241 HydrophobicContact CD1-CG1 3.8Å; I217-V241 HydrophobicContact CG2-CG1 4.36Å; I217-V241 HydrophobicContact CG2-CG2 4.35Å; M219-V241 HydrophobicContact SD-CG2 4.1Å; L236-V241 PolarHBondContact O-N 2.98Å; L237-V241 HydrophobicContact CD1-CB 4.27Å; L237-V241 HydrophobicContact CD1-CG1 4.34Å; L237-V241 PolarHBondContact O-N 3.48Å; V241-V244 PolarHBondContact O-N 2.9Å; V241-C245 WeakPolarHBondContact O-CB 3.45Å; V241-C245 PolarHBondContact O-N 3.48Å; V241-V256 HydrophobicContact CG1-CG1 4.38Å; V241-V256 HydrophobicContact CG2-CG1 4.38Å; V241-L258 HydrophobicContact CG2-CD2 4.03Å
242	L	98	Very high	97.9	Very high	93 Å²	93	59.8 Å²	59.8	49%	0.487	31%	0.306	S	S	.	.	H	α-helix	trans	-62.6	-37.6	-177	-64.5	176.1	0	0	0	113.1	L237 I250	L237-L242 HydrophobicContact CD1-CD2 4.42Å; L237-L242 HydrophobicContact CD1-CG 4.14Å; L237-L242 HydrophobicContact CG-CD1 4.27Å; L237-L242 HydrophobicContact CG-CG 4.35Å; L237-L242 WeakPolarHBondContact O-CG 3.19Å; L237-L242 PolarHBondContact O-N 2.85Å; L242-I250 HydrophobicContact CD2-CD1 4.34Å
243	P	98.1	Very high	97.9	Very high	72 Å²	72	67 Å²	67	47%	0.468	34%	0.338	S	S	.	.	H	α-helix	trans	-71.1	-25.4	175.3	-26	39	0	0	0	115	E238	E238-P243 VanDerWaalsContact O-CD 3.25Å; E238-P243 WeakPolarHBondContact O-CD 2.86Å; E238-P243 VanDerWaalsContact O-CG 3.3Å; E238-P243 WeakPolarHBondContact O-CG 3.39Å
244	V	98.5	Very high	97.9	Very high	22 Å²	22	63.4 Å²	63.4	13%	0.133	33%	0.327	C	S	.	.	H	α-helix	trans	-89.8	-41.8	-177.7	166.1	0	0	0	0	112.1	L170 R173 L174 R177 V240 V241 P246	L170-V244 HydrophobicContact CD2-CG1 4.36Å; R173-V244 HydrophobicContact CB-CG1 3.43Å; R173-V244 VanDerWaalsContact CB-CG1 3.43Å; R173-V244 HydrophobicContact CB-CG2 4.39Å; L174-V244 HydrophobicContact CD2-CB 3.95Å; L174-V244 HydrophobicContact CD2-CG1 3.89Å; L174-V244 HydrophobicContact CD2-CG2 4.42Å; L174-V244 HydrophobicContact CG-CG1 3.98Å; R177-V244 HydrophobicContact CB-CG2 3.57Å; R177-V244 HydrophobicContact CG-CG2 3.81Å; V240-V244 VanDerWaalsContact O-CB 3.32Å; V240-V244 WeakPolarHBondContact O-CB 3.38Å; V240-V244 WeakPolarHBondContact O-CG2 3.44Å; V240-V244 PolarHBondContact O-N 3.38Å; V241-V244 PolarHBondContact O-N 2.9Å; V244-P246 WeakPolarHBondContact O-CD 3.39Å
245	C	98.2	Very high	97.9	Very high	5 Å²	5	62 Å²	62	3%	0.034	32%	0.322	C	S	.	.	S	Bend	trans	-85	120.1	-172.1	-70.6	0	0	0	0	110.9	L214 I217 V241 S247 I250	L214-C245 HydrophobicContact CD1-CB 3.66Å; I217-C245 HydrophobicContact CD1-CB 4.49Å; V241-C245 WeakPolarHBondContact O-CB 3.45Å; V241-C245 PolarHBondContact O-N 3.48Å; C245-S247 PolarHBondContact O-N 2.99Å; C245-I250 HydrophobicContact CB-CD1 3.62Å; C245-I250 HydrophobicContact CB-CG1 4.31Å
246	P	97.1	Very high	97.9	Very high	35 Å²	35	62.2 Å²	62.2	23%	0.227	33%	0.327	C	S	.	.			trans	-61.5	128	-178.9	-21.8	32.1	0	0	0	111.9	V244 Q248 Y249	V244-P246 WeakPolarHBondContact O-CD 3.39Å; P246-Q248 VanDerWaalsContact CB-NE2 3.3Å; P246-Q248 PolarHBondContact O-N 3.05Å; P246-Q248 VanDerWaalsContact O-N 3.09Å; P246-Y249 HydrophobicContact CB-CD2 3.94Å; P246-Y249 HydrophobicContact CB-CE2 4.35Å; P246-Y249 HydrophobicContact CG-CD2 4.12Å; P246-Y249 HydrophobicContact CG-CE2 4.38Å; P246-Y249 PolarHBondContact O-N 3.41Å
247	S	96.8	Very high	97.9	Very high	99 Å²	99	65.9 Å²	65.9	69%	0.692	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-56.1	-30	-173.7	62.1	0	0	0	0	114.1	C245 Y249 I250	C245-S247 PolarHBondContact O-N 2.99Å; S247-Y249 PolarHBondContact O-N 3.47Å; S247-Y249 VanDerWaalsContact O-N 3.15Å; S247-I250 PolarHBondContact O-N 2.98Å; S247-I250 VanDerWaalsContact O-N 3.07Å
248	Q	97.3	Very high	97.9	Very high	131 Å²	131	63.7 Å²	63.7	61%	0.612	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-64.1	-17.8	177.9	71	-86.4	20.4	0	0	114.1	P246	P246-Q248 VanDerWaalsContact CB-NE2 3.3Å; P246-Q248 PolarHBondContact O-N 3.05Å; P246-Q248 VanDerWaalsContact O-N 3.09Å
249	Y	97.9	Very high	97.9	Very high	41 Å²	41	58.9 Å²	58.9	16%	0.161	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-102.2	-4.1	176.7	-58.7	-57.9	0	0	0	112.8	L166 P211 R213 L214 P246 S247	L166-Y249 HydrophobicContact CD1-CE2 4.27Å; L166-Y249 HydrophobicContact CD2-CD2 3.92Å; L166-Y249 HydrophobicContact CD2-CE1 4.4Å; L166-Y249 HydrophobicContact CD2-CE2 3.6Å; L166-Y249 HydrophobicContact CD2-CG 4.45Å; P211-Y249 HydrophobicContact CB-CE1 4.04Å; P211-Y249 HydrophobicContact CG-CE1 4.04Å; P211-Y249 WeakPolarHBondContact CG-OH 3.43Å; R213-Y249 PolarHBondContact NH1-O 3.29Å; R213-Y249 VanDerWaalsContact NH1-O 3.12Å; L214-Y249 PolarHBondContact N-O 2.81Å; P246-Y249 HydrophobicContact CB-CD2 3.94Å; P246-Y249 HydrophobicContact CB-CE2 4.35Å; P246-Y249 HydrophobicContact CG-CD2 4.12Å; P246-Y249 HydrophobicContact CG-CE2 4.38Å; P246-Y249 PolarHBondContact O-N 3.41Å; S247-Y249 PolarHBondContact O-N 3.47Å; S247-Y249 VanDerWaalsContact O-N 3.15Å
250	I	97.5	Very high	97.9	Very high	55 Å²	55	60.1 Å²	60.1	28%	0.282	32%	0.322	S	S	.	.			trans	-99.7	131.3	178.5	-64.4	170.1	0	0	0	109.1	L214 L242 C245 S247	L214-I250 HydrophobicContact CD1-CG1 4.04Å; L242-I250 HydrophobicContact CD2-CD1 4.34Å; C245-I250 HydrophobicContact CB-CD1 3.62Å; C245-I250 HydrophobicContact CB-CG1 4.31Å; S247-I250 PolarHBondContact O-N 2.98Å; S247-I250 VanDerWaalsContact O-N 3.07Å
251	D	96.5	Very high	97.7	Very high	61 Å²	61	64.4 Å²	64.4	33%	0.326	35%	0.351	S	S	.	.			trans	-138.3	-177.1	172.8	64.6	32.2	0	0	0	111.2	R213 K253 T254	R213-D251 WeakPolarHBondContact CD-OD2 3.45Å; R213-D251 IonicContact CZ-OD1 3.5Å; R213-D251 IonicContact CZ-OD2 2.76Å; R213-D251 IonicContact NE-OD1 2.73Å; R213-D251 PolarHBondContact NE-OD1 3.37Å; R213-D251 IonicContact NE-OD2 3.75Å; R213-D251 PolarHBondContact NE-OD2 3.08Å; R213-D251 IonicContact NH1-OD1 3.08Å; R213-D251 PolarHBondContact NH1-OD1 3.11Å; R213-D251 VanDerWaalsContact NH1-OD1 3.13Å; R213-D251 IonicContact NH1-OD2 3.4Å; R213-D251 PolarHBondContact NH1-OD2 3.43Å; R213-D251 IonicContact NH2-OD1 2.66Å; R213-D251 PolarHBondContact NH2-OD1 3.41Å; R213-D251 IonicContact NH2-OD2 3.44Å; D251-K253 PolarHBondContact O-N 3.34Å; D251-K253 VanDerWaalsContact O-N 3.15Å; D251-K253 WeakPolarHBondContact OD1-CA 3.31Å; D251-K253 VanDerWaalsContact OD1-CB 3.31Å; D251-K253 WeakPolarHBondContact OD1-CB 3.37Å; D251-K253 PolarHBondContact OD1-N 2.77Å; D251-T254 PolarHBondContact N-OG1 3.36Å; D251-T254 WeakPolarHBondContact O-CB 3.48Å; D251-T254 PolarHBondContact O-N 2.84Å; D251-T254 PolarHBondContact O-OG1 2.79Å; D251-T254 PolarHBondContact OD1-N 3.28Å
252	D	96.6	Very high	97.7	Very high	154 Å²	154	65.1 Å²	65.1	82%	0.824	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-15	179.9	64.3	-21.4	0	0	0	114.3
253	K	97.1	Very high	97.6	Very high	153 Å²	153	64.2 Å²	64.2	67%	0.665	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-6.7	176.3	-60.3	174.1	-175.5	174.9	0	113	D251 Q255	D251-K253 PolarHBondContact O-N 3.34Å; D251-K253 VanDerWaalsContact O-N 3.15Å; D251-K253 WeakPolarHBondContact OD1-CA 3.31Å; D251-K253 VanDerWaalsContact OD1-CB 3.31Å; D251-K253 WeakPolarHBondContact OD1-CB 3.37Å; D251-K253 PolarHBondContact OD1-N 2.77Å; K253-Q255 PolarHBondContact O-N 3.25Å
254	T	98.3	Very high	97.6	Very high	21 Å²	21	62.4 Å²	62.4	13%	0.129	34%	0.342	C	S	.	.			trans	-67.5	120	-177.7	-65.9	0	0	0	0	110.1	R213 L214 I217 D251 V256	R213-T254 PolarHBondContact NH1-OG1 2.97Å; R213-T254 PolarHBondContact NH2-OG1 3.43Å; L214-T254 HydrophobicContact CB-CG2 4.24Å; L214-T254 WeakPolarHBondContact O-CG2 3.48Å; L214-T254 PolarHBondContact O-OG1 3.34Å; I217-T254 HydrophobicContact CD1-CG2 4.22Å; D251-T254 PolarHBondContact N-OG1 3.36Å; D251-T254 WeakPolarHBondContact O-CB 3.48Å; D251-T254 PolarHBondContact O-N 2.84Å; D251-T254 PolarHBondContact O-OG1 2.79Å; D251-T254 PolarHBondContact OD1-N 3.28Å; T254-V256 HydrophobicContact CG2-CG2 4.21Å
255	Q	98.5	Very high	97.5	Very high	95 Å²	95	66.3 Å²	66.3	44%	0.444	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	124.4	179.6	-59.5	178.4	3.7	0	0	110.5	H215 S216 I217 K253	H215-Q255 PolarHBondContact O-N 2.98Å; S216-Q255 CarbonylContact C-O 3.28Å; S216-Q255 WeakPolarHBondContact CA-O 3.29Å; I217-Q255 PolarHBondContact N-O 3.45Å; K253-Q255 PolarHBondContact O-N 3.25Å
256	V	98.6	Very high	97.3	Very high	56 Å²	56	71.3 Å²	71.3	34%	0.339	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	115.8	178.8	-169.9	0	0	0	0	109.8	I217 L237 V241 T254 L258	I217-V256 HydrophobicContact CD1-CG2 4.47Å; I217-V256 CarbonylContact O-C 3.5Å; I217-V256 WeakPolarHBondContact O-CA 3.48Å; L237-V256 HydrophobicContact CD1-CG1 4.25Å; V241-V256 HydrophobicContact CG1-CG1 4.38Å; V241-V256 HydrophobicContact CG2-CG1 4.38Å; T254-V256 HydrophobicContact CG2-CG2 4.21Å; V256-L258 HydrophobicContact CG1-CD1 4.12Å; V256-L258 HydrophobicContact CG1-CD2 3.84Å; V256-L258 HydrophobicContact CG1-CG 3.85Å
257	H	98.6	Very high	97.2	Very high	77 Å²	77	69.6 Å²	69.6	36%	0.356	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	106.4	-178.1	-54.3	-83	0	0	0	110.3	I217 V218 M219 P260	I217-H257 PolarHBondContact O-N 3.33Å; V218-H257 CarbonylContact C-O 3.59Å; V218-H257 VanDerWaalsContact CA-O 3.3Å; V218-H257 WeakPolarHBondContact CA-O 3.49Å; V218-H257 HydrophobicContact CB-CB 4.42Å; V218-H257 HydrophobicContact CG1-CB 4.17Å; V218-H257 HydrophobicContact CG2-CB 4.14Å; M219-H257 PolarHBondContact N-O 3.04Å; H257-P260 HydrophobicContact CB-CB 4.37Å; H257-P260 HydrophobicContact CB-CG 4.37Å
258	L	98.7	Very high	97.3	Very high	16 Å²	16	64.9 Å²	64.9	8%	0.084	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	115.9	-175	-57.5	177.6	0	0	0	110.3	M219 R233 L236 L237 V241 V256	M219-L258 HydrophobicContact CB-CD2 3.95Å; M219-L258 HydrophobicContact CG-CD2 4.35Å; R233-L258 HydrophobicContact CB-CB 4.23Å; R233-L258 HydrophobicContact CB-CD1 4.47Å; R233-L258 HydrophobicContact CG-CB 3.85Å; R233-L258 WeakPolarHBondContact CG-O 3.4Å; R233-L258 PolarHBondContact NE-O 3.28Å; R233-L258 WeakPolarHBondContact O-CD1 3.25Å; L236-L258 HydrophobicContact CB-CD1 4Å; L236-L258 HydrophobicContact CB-CD2 4.3Å; L236-L258 HydrophobicContact CD1-CB 4.42Å; L237-L258 HydrophobicContact CB-CD1 3.84Å; V241-L258 HydrophobicContact CG2-CD2 4.03Å; V256-L258 HydrophobicContact CG1-CD1 4.12Å; V256-L258 HydrophobicContact CG1-CD2 3.84Å; V256-L258 HydrophobicContact CG1-CG 3.85Å
259	N	98.4	Very high	97.3	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.304	C	S	.	.	S	Bend	trans	43	61.7	-167.7	-78.7	32.2	0	0	0	111.7	M219 S220 V221 H223 L232 R233 C261 G262	M219-N259 PolarHBondContact O-N 3.48Å; S220-N259 WeakPolarHBondContact CA-OD1 3.49Å; V221-N259 PolarHBondContact N-OD1 2.81Å; V221-N259 PolarHBondContact O-ND2 3.26Å; H223-N259 PolarHBondContact CD2-ND2 3.14Å; L232-N259 HydrophobicContact CD2-CB 4.22Å; R233-N259 PolarHBondContact NH2-O 3.33Å; N259-C261 PolarHBondContact O-N 3.14Å; N259-G262 PolarHBondContact O-N 3.43Å
260	P	97.7	Very high	97.3	Very high	75 Å²	75	60.6 Å²	60.6	49%	0.487	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-24.7	-177.7	26.9	-34.9	0	0	0	112.9	V218 H257 G262	V218-P260 HydrophobicContact CG1-CG 4.05Å; H257-P260 HydrophobicContact CB-CB 4.37Å; H257-P260 HydrophobicContact CB-CG 4.37Å; P260-G262 PolarHBondContact O-N 2.88Å
261	C	95.2	Very high	97.3	Very high	90 Å²	90	59.6 Å²	59.6	61%	0.608	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-4.1	174.1	59.5	0	0	0	0	114.2	N259	N259-C261 PolarHBondContact O-N 3.14Å
262	G	97.4	Very high	97.3	Very high	16 Å²	16	60.4 Å²	60.4	17%	0.165	32%	0.323	C	S	.	.	S	Bend	trans	87.9	-131.2	-173.4	0	0	0	0	0	111.8	L229 N259 P260	L229-G262 WeakPolarHBondContact CD2-O 3.49Å; N259-G262 PolarHBondContact O-N 3.43Å; P260-G262 PolarHBondContact O-N 2.88Å
263	T	97.1	Very high	97.4	Very high	74 Å²	74	55.8 Å²	55.8	45%	0.454	31%	0.306	S	S	.	.			trans	-74.5	137.3	-176.6	51.8	0	0	0	0	111.9	L229 W265	L229-T263 HydrophobicContact CD1-CG2 4.34Å; L229-T263 HydrophobicContact CD2-CG2 4.47Å; L229-T263 HydrophobicContact CG-CG2 4.46Å; T263-W265 HydrophobicContact CG2-CH2 4.49Å; T263-W265 HydrophobicContact CG2-CZ2 3.78Å
264	F	97.8	Very high	97.5	Very high	34 Å²	34	48.5 Å²	48.5	15%	0.149	27%	0.274	C	S	.	.			trans	-130.1	70.9	175.3	-169.6	-166.3	0	0	0	110.1	Q222 H223 H266	Q222-F264 VanDerWaalsContact CA-O 3.23Å; Q222-F264 WeakPolarHBondContact CA-O 3.39Å; Q222-F264 HydrophobicContact CB-CD1 4.42Å; Q222-F264 WeakPolarHBondContact CG-O 3.45Å; H223-F264 PolarHBondContact N-O 2.56Å; H223-F264 PolarHBondContact NE2-N 3.47Å; F264-H266 WeakPolarHBondContact CE2-O 3.39Å
265	W	96.2	Very high	97.5	Very high	104 Å²	104	51 Å²	51	39%	0.394	29%	0.286	S	S	.	.			trans	-81.5	-42.8	-178.2	-58.9	-32.8	0	0	0	112.9	R191 Q222 H223 P225 T263	R191-W265 PolarHBondContact NH1-O 2.89Å; Q222-W265 PolarHBondContact NE2-O 3.4Å; H223-W265 AromaticContact CE1-CD1 3.44Å; H223-W265 VanDerWaalsContact CE1-CD1 3.44Å; H223-W265 AromaticContact CE1-NE1 3.29Å; H223-W265 PolarHBondContact CE1-NE1 3.35Å; H223-W265 VanDerWaalsContact CE1-NE1 3.29Å; H223-W265 AromaticContact ND1-CD1 3.65Å; H223-W265 AromaticContact ND1-NE1 3.71Å; P225-W265 HydrophobicContact CB-CZ2 4.34Å; T263-W265 HydrophobicContact CG2-CH2 4.49Å; T263-W265 HydrophobicContact CG2-CZ2 3.78Å
266	H	93.9	Very high	97.5	Very high	110 Å²	110	47 Å²	47	51%	0.509	27%	0.269	S	S	.	.	S	Bend	trans	-94	103	-179	-55.4	-63.9	0	0	0	109.7	F264	F264-H266 WeakPolarHBondContact CE2-O 3.39Å
267	G	96	Very high	97.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.26	C	S	.	.			trans	-123.7	-170	176.1	0	0	0	0	0	111.5	G271	G267-G271 PolarHBondContact O-N 3.33Å
268	G	97.9	Very high	97.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	63.7	-157.4	178.1	0	0	0	0	0	113.5	Y107 D193 M270 G271 D272	Y107-G268 WeakPolarHBondContact OH-CA 3.49Å; Y107-G268 PolarHBondContact OH-N 3.43Å; D193-G268 PolarHBondContact OD2-N 3.08Å; G268-M270 PolarHBondContact O-N 3.09Å; G268-M270 VanDerWaalsContact O-N 3.1Å; G268-G271 PolarHBondContact O-N 2.96Å; G268-D272 PolarHBondContact O-N 2.64Å
269	P	98.3	Very high	97.5	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-56.1	-24.3	-180	-30.4	36.3	0	0	0	116	P45 L48 A75 K76 T77 F114 D272	P45-P269 HydrophobicContact CB-CG 4.25Å; L48-P269 HydrophobicContact CD1-CG 4.37Å; A75-P269 HydrophobicContact CB-CB 4.26Å; A75-P269 HydrophobicContact CB-CG 3.99Å; K76-P269 CarbonylContact C-O 3.51Å; K76-P269 PolarHBondContact NZ-O 2.79Å; T77-P269 PolarHBondContact N-O 3.43Å; F114-P269 HydrophobicContact CB-CB 4.48Å; F114-P269 HydrophobicContact CB-CG 4.14Å; F114-P269 HydrophobicContact CD1-CG 3.88Å; F114-P269 HydrophobicContact CD2-CB 3.59Å; F114-P269 HydrophobicContact CD2-CG 3.75Å; F114-P269 HydrophobicContact CE1-CG 4.15Å; F114-P269 HydrophobicContact CE2-CB 3.84Å; F114-P269 HydrophobicContact CE2-CG 4.03Å; F114-P269 HydrophobicContact CG-CB 4.02Å; F114-P269 HydrophobicContact CG-CG 3.67Å; F114-P269 HydrophobicContact CZ-CB 4.47Å; F114-P269 HydrophobicContact CZ-CG 4.23Å; P269-D272 CarbonylContact C-O 3.6Å; P269-D272 VanDerWaalsContact CA-O 3.23Å; P269-D272 WeakPolarHBondContact CA-O 3.2Å; P269-D272 VanDerWaalsContact O-O 3.12Å
270	M	97.5	Very high	97.5	Very high	81 Å²	81	51.2 Å²	51.2	40%	0.399	28%	0.282	S	S	.	.	H	α-helix	trans	-70	-44.3	172.1	175.7	177.9	-171.1	0	0	111.6	K76 G113 G268	K76-M270 PolarHBondContact NZ-O 3.18Å; G113-M270 WeakPolarHBondContact O-CB 3.31Å; G113-M270 PolarHBondContact O-N 3.26Å; G268-M270 PolarHBondContact O-N 3.09Å; G268-M270 VanDerWaalsContact O-N 3.1Å
271	G	96.3	Very high	97.6	Very high	34 Å²	34	51.2 Å²	51.2	35%	0.351	28%	0.277	S	S	.	.	H	α-helix	trans	-67.2	-54.7	177.9	0	0	0	0	0	112.1	G267 G268	G267-G271 PolarHBondContact O-N 3.33Å; G268-G271 PolarHBondContact O-N 2.96Å
272	D	97.7	Very high	97.8	Very high	79 Å²	79	47.2 Å²	47.2	42%	0.422	25%	0.25	S	C	.	.	S	Bend	trans	-134	155.6	-173.6	-69.3	-25.8	0	0	0	111.2	P45 K195 G268 P269	P45-D272 HydrophobicContact CG-CB 3.91Å; K195-D272 IonicContact NZ-OD2 2.61Å; G268-D272 PolarHBondContact O-N 2.64Å; P269-D272 CarbonylContact C-O 3.6Å; P269-D272 VanDerWaalsContact CA-O 3.23Å; P269-D272 WeakPolarHBondContact CA-O 3.2Å; P269-D272 VanDerWaalsContact O-O 3.12Å
273	A	98.6	Very high	97.8	Very high	57 Å²	57	46.4 Å²	46.4	47%	0.471	24%	0.242	S	C	.	.			trans	-74.3	145.5	168.1	0	0	0	0	0	110.4	A75 K76	A75-A273 CarbonylContact O-C 3.59Å; A75-A273 WeakPolarHBondContact O-CA 3.06Å; K76-A273 HydrophobicContact CD-CB 3.91Å
274	G	98.7	Very high	97.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	141.5	176.7	0	0	0	0	0	112.2	P45 D46 C49 A74 A75	P45-G274 VanDerWaalsContact C-CA 3.49Å; D46-G274 VanDerWaalsContact OD1-CA 3.3Å; D46-G274 WeakPolarHBondContact OD1-CA 3.35Å; C49-G274 VanDerWaalsContact SG-C 3.54Å; C49-G274 PolarHBondContact SG-O 2.79Å; A74-G274 CarbonylContact C-O 3.51Å; A74-G274 VanDerWaalsContact CA-O 3.26Å; A74-G274 WeakPolarHBondContact CA-O 3.3Å; A75-G274 PolarHBondContact N-O 2.76Å; A75-G274 PolarHBondContact O-N 3.35Å
275	L	98.8	Very high	97.9	Very high	73 Å²	73	41.6 Å²	41.6	38%	0.382	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	146	171.2	-58.3	86.3	0	0	0	111	D46 A73 A74 R278	D46-L275 PolarHBondContact OD1-N 3.31Å; A73-L275 WeakPolarHBondContact O-CA 3.31Å; A74-L275 HydrophobicContact CB-CG 4.41Å; L275-R278 HydrophobicContact CB-CG 3.74Å; L275-R278 WeakPolarHBondContact O-CG 3.42Å
276	T	98.8	Very high	98.1	Very high	12 Å²	12	36.9 Å²	36.9	7%	0.074	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	141.9	171.9	-55.9	0	0	0	0	110.9	D50 C53 E72 A73 R278	D50-T276 WeakPolarHBondContact OD1-CG2 3.5Å; C53-T276 HydrophobicContact CB-CG2 4.19Å; C53-T276 PolarHBondContact SG-OG1 2.59Å; E72-T276 VanDerWaalsContact OE2-CB 3.27Å; E72-T276 WeakPolarHBondContact OE2-CB 3.22Å; E72-T276 VanDerWaalsContact OE2-CG2 3.3Å; E72-T276 WeakPolarHBondContact OE2-CG2 3.13Å; A73-T276 PolarHBondContact N-OG1 3.27Å; A73-T276 PolarHBondContact O-N 2.87Å; A73-T276 PolarHBondContact O-OG1 2.98Å; T276-R278 VanDerWaalsContact C-N 3.32Å; T276-R278 PolarHBondContact O-N 2.99Å
277	G	98.4	Very high	98.3	Very high	15 Å²	15	34 Å²	34	16%	0.155	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	20.7	174.3	0	0	0	0	0	115.1	D50 I280 S295	D50-G277 PolarHBondContact OD1-N 3.25Å; G277-I280 WeakPolarHBondContact O-CG2 3.35Å; G277-S295 VanDerWaalsContact CA-CB 3.45Å
278	R	98.7	Very high	98.4	Very high	151 Å²	151	34.6 Å²	34.6	57%	0.57	20%	0.201	S	C	*	.	S	Bend	trans	-97.7	5.1	176.2	-65.4	-58	-56.5	-72.4	-2.1	114.4	D46 L275 T276	D46-R278 HydrophobicContact CB-CB 4.1Å; D46-R278 VanDerWaalsContact CG-CB 3.49Å; L275-R278 HydrophobicContact CB-CG 3.74Å; L275-R278 WeakPolarHBondContact O-CG 3.42Å; T276-R278 VanDerWaalsContact C-N 3.32Å; T276-R278 PolarHBondContact O-N 2.99Å
279	K	98.6	Very high	98.4	Very high	33 Å²	33	35.8 Å²	35.8	14%	0.143	21%	0.213	C	C	.	.			trans	-124.5	28.7	179.1	-68.2	-69.4	177	-79.7	0	112.9	V40 H44 D46 K47 I281 V282 D283	V40-K279 HydrophobicContact CG1-CD 4.4Å; V40-K279 HydrophobicContact CG2-CD 3.81Å; V40-K279 HydrophobicContact CG2-CG 4.05Å; H44-K279 WeakPolarHBondContact CE1-CE 3.45Å; H44-K279 PolarHBondContact CE1-NZ 2.66Å; D46-K279 HydrophobicContact CB-CG 3.78Å; D46-K279 IonicContact OD2-NZ 2.78Å; D46-K279 PolarHBondContact OD2-NZ 3.32Å; K47-K279 HydrophobicContact CD-CB 4.28Å; K47-K279 HydrophobicContact CG-CG 4.48Å; K279-I281 VanDerWaalsContact C-N 3.28Å; K279-I281 PolarHBondContact O-N 3.48Å; K279-I281 VanDerWaalsContact O-N 3.11Å; K279-V282 HydrophobicContact CB-CB 4.22Å; K279-V282 HydrophobicContact CD-CG2 4.08Å; K279-V282 CarbonylContact O-C 3.55Å; K279-V282 WeakPolarHBondContact O-CA 3.37Å; K279-V282 VanDerWaalsContact O-CB 3.31Å; K279-V282 WeakPolarHBondContact O-CB 3.38Å; K279-V282 PolarHBondContact O-N 3.39Å; K279-D283 PolarHBondContact O-N 2.95Å
280	I	98.7	Very high	98.4	Very high	37 Å²	37	37.3 Å²	37.3	19%	0.19	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-31.1	-175.5	57.9	168.8	0	0	0	115.5	G277 D283 T284	G277-I280 WeakPolarHBondContact O-CG2 3.35Å; I280-D283 PolarHBondContact O-N 2.97Å; I280-T284 WeakPolarHBondContact O-CG2 3.4Å; I280-T284 PolarHBondContact O-N 3.16Å; I280-T284 PolarHBondContact O-OG1 3.01Å
281	I	98.8	Very high	98.5	Very high	75 Å²	75	35.6 Å²	35.6	39%	0.385	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-34.1	175.9	-60.1	-55.8	0	0	0	111.4	K279 D283 T284 Y285 G286 H291	K279-I281 VanDerWaalsContact C-N 3.28Å; K279-I281 PolarHBondContact O-N 3.48Å; K279-I281 VanDerWaalsContact O-N 3.11Å; I281-D283 VanDerWaalsContact C-N 3.27Å; I281-T284 PolarHBondContact O-N 3.02Å; I281-T284 PolarHBondContact O-OG1 2.93Å; I281-Y285 PolarHBondContact O-N 3.17Å; I281-G286 WeakPolarHBondContact O-CA 3.5Å; I281-G286 PolarHBondContact O-N 3.24Å; I281-H291 HydrophobicContact CD1-CB 3.67Å
282	V	98.7	Very high	98.5	Very high	6 Å²	6	35.4 Å²	35.4	4%	0.036	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-33.7	170.1	177.8	0	0	0	0	110.1	E38 S39 H172 K279 T284	E38-V282 HydrophobicContact CG-CG2 4.36Å; S39-V282 WeakPolarHBondContact OG-CG1 3.41Å; H172-V282 PolarHBondContact CE1-O 2.76Å; H172-V282 PolarHBondContact NE2-O 3.23Å; K279-V282 HydrophobicContact CB-CB 4.22Å; K279-V282 HydrophobicContact CD-CG2 4.08Å; K279-V282 CarbonylContact O-C 3.55Å; K279-V282 WeakPolarHBondContact O-CA 3.37Å; K279-V282 VanDerWaalsContact O-CB 3.31Å; K279-V282 WeakPolarHBondContact O-CB 3.38Å; K279-V282 PolarHBondContact O-N 3.39Å; V282-T284 VanDerWaalsContact C-N 3.25Å; V282-T284 PolarHBondContact O-N 3.22Å
283	D	98.7	Very high	98.5	Very high	0 Å²	0	34 Å²	34	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-17.4	178	-75	-36.1	0	0	0	115.2	K47 K279 I280 I281 F296 H393	K47-D283 VanDerWaalsContact CE-OD1 3.3Å; K47-D283 WeakPolarHBondContact CE-OD1 3.31Å; K47-D283 IonicContact NZ-OD1 3.64Å; K47-D283 PolarHBondContact NZ-OD1 2.82Å; K47-D283 IonicContact NZ-OD2 3.32Å; K47-D283 PolarHBondContact NZ-OD2 2.86Å; K279-D283 PolarHBondContact O-N 2.95Å; I280-D283 PolarHBondContact O-N 2.97Å; I281-D283 VanDerWaalsContact C-N 3.27Å; D283-F296 HydrophobicContact CB-CD2 3.99Å; D283-F296 HydrophobicContact CB-CE2 4.02Å; D283-H393 PolarHBondContact O-N 2.8Å; D283-H393 VanDerWaalsContact O-N 3.08Å; D283-H393 IonicContact OD1-CD2 3.93Å; D283-H393 PolarHBondContact OD1-CD2 2.96Å; D283-H393 IonicContact OD1-NE2 2.64Å
284	T	98.8	Very high	98.5	Very high	5 Å²	5	32 Å²	32	3%	0.031	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-97.1	-171.4	52	0	0	0	0	112.3	L168 I280 I281 V282 H291 F296 F394	L168-T284 WeakPolarHBondContact CD2-O 3.33Å; I280-T284 WeakPolarHBondContact O-CG2 3.4Å; I280-T284 PolarHBondContact O-N 3.16Å; I280-T284 PolarHBondContact O-OG1 3.01Å; I281-T284 PolarHBondContact O-N 3.02Å; I281-T284 PolarHBondContact O-OG1 2.93Å; V282-T284 VanDerWaalsContact C-N 3.25Å; V282-T284 PolarHBondContact O-N 3.22Å; T284-H291 VanDerWaalsContact CG2-CD2 3.45Å; T284-H291 WeakPolarHBondContact CG2-CD2 3.21Å; T284-H291 WeakPolarHBondContact CG2-NE2 3.5Å; T284-H291 PolarHBondContact OG1-CD2 2.86Å; T284-F296 HydrophobicContact CG2-CE2 3.43Å; T284-F296 VanDerWaalsContact CG2-CE2 3.43Å; T284-F296 HydrophobicContact CG2-CZ 3.4Å; T284-F296 VanDerWaalsContact CG2-CZ 3.4Å; T284-F394 HydrophobicContact CG2-CE2 3.78Å
285	Y	98.8	Very high	98.4	Very high	1 Å²	1	32.8 Å²	32.8	0%	0.004	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.5	11.6	-165.7	-48.5	-64.7	0	0	0	113	F153 G154 Y155 M164 I281 G287 W288 F394	F153-Y285 PolarHBondContact O-OH 3.35Å; G154-Y285 VanDerWaalsContact CA-OH 3.28Å; G154-Y285 WeakPolarHBondContact CA-OH 3.19Å; Y155-Y285 HydrophobicContact CD1-CD1 4.15Å; Y155-Y285 HydrophobicContact CD1-CG 4.28Å; Y155-Y285 HydrophobicContact CG-CD1 4.49Å; Y155-Y285 HydrophobicContact CG-CG 4.46Å; Y155-Y285 PolarHBondContact N-OH 3.47Å; Y155-Y285 VanDerWaalsContact N-OH 3.09Å; Y155-Y285 WeakPolarHBondContact O-CE1 3.37Å; M164-Y285 HydrophobicContact CE-CD1 4.44Å; M164-Y285 HydrophobicContact SD-CD1 4.4Å; I281-Y285 PolarHBondContact O-N 3.17Å; Y285-G287 VanDerWaalsContact C-N 3.27Å; Y285-G287 PolarHBondContact O-N 3Å; Y285-W288 VanDerWaalsContact CB-O 3.3Å; Y285-W288 WeakPolarHBondContact CB-O 3.41Å; Y285-W288 WeakPolarHBondContact O-CB 3.39Å; Y285-W288 PolarHBondContact O-N 3.4Å; Y285-F394 AromaticContact CD1-CD2 4Å; Y285-F394 HydrophobicContact CD1-CD2 4Å; Y285-F394 AromaticContact CE1-CD2 3.31Å; Y285-F394 HydrophobicContact CE1-CD2 3.31Å; Y285-F394 AromaticContact CE1-CE2 3.69Å; Y285-F394 HydrophobicContact CE1-CE2 3.69Å; Y285-F394 HydrophobicContact CE1-CG 4.18Å; Y285-F394 HydrophobicContact CE2-CD2 4.45Å; Y285-F394 HydrophobicContact CE2-CE2 4.04Å; Y285-F394 AromaticContact CZ-CD2 3.57Å; Y285-F394 AromaticContact CZ-CE2 3.38Å; Y285-F394 VanDerWaalsContact OH-CE2 3.22Å; Y285-F394 WeakPolarHBondContact OH-CE2 3.44Å
286	G	98.6	Very high	98.4	Very high	6 Å²	6	29.5 Å²	29.5	6%	0.062	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	29.6	168.7	0	0	0	0	0	113.9	S37 I281	S37-G286 WeakPolarHBondContact CB-O 3.05Å; S37-G286 PolarHBondContact OG-O 3.02Å; I281-G286 WeakPolarHBondContact O-CA 3.5Å; I281-G286 PolarHBondContact O-N 3.24Å
287	G	98.3	Very high	98.4	Very high	49 Å²	49	28.9 Å²	28.9	51%	0.505	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.5	-14.3	-175.7	0	0	0	0	0	113.9	Y285	Y285-G287 VanDerWaalsContact C-N 3.27Å; Y285-G287 PolarHBondContact O-N 3Å
288	W	98.6	Very high	98.4	Very high	13 Å²	13	28.2 Å²	28.2	5%	0.049	18%	0.181	C	C	.	.	S	Bend	trans	-76.5	162.9	172.4	-65.8	97.8	0	0	0	112.2	F33 F35 Y155 P165 T167 Y202 C209 Y285 A290	F33-W288 AromaticContact CE2-CH2 3.98Å; F33-W288 HydrophobicContact CE2-CH2 3.98Å; F33-W288 HydrophobicContact CZ-CH2 4.17Å; F35-W288 HydrophobicContact CB-CH2 4.15Å; F35-W288 HydrophobicContact CB-CZ2 3.66Å; F35-W288 HydrophobicContact CD1-CD2 4.18Å; F35-W288 AromaticContact CD1-CE2 3.36Å; F35-W288 HydrophobicContact CD1-CH2 4.42Å; F35-W288 AromaticContact CD1-CZ2 3.53Å; F35-W288 HydrophobicContact CD1-CZ2 3.53Å; F35-W288 AromaticContact CD1-NE1 3.26Å; F35-W288 VanDerWaalsContact CD1-NE1 3.26Å; F35-W288 AromaticContact CD2-CH2 3.93Å; F35-W288 HydrophobicContact CD2-CH2 3.93Å; F35-W288 AromaticContact CD2-CZ2 3.85Å; F35-W288 HydrophobicContact CD2-CZ2 3.85Å; F35-W288 HydrophobicContact CD2-CZ3 4.29Å; F35-W288 AromaticContact CE1-CD1 3.53Å; F35-W288 AromaticContact CE1-CD2 3.91Å; F35-W288 HydrophobicContact CE1-CD2 3.91Å; F35-W288 AromaticContact CE1-CE2 3.53Å; F35-W288 AromaticContact CE1-CG 3.96Å; F35-W288 HydrophobicContact CE1-CG 3.96Å; F35-W288 HydrophobicContact CE1-CZ2 4.13Å; F35-W288 AromaticContact CE1-NE1 3.29Å; F35-W288 VanDerWaalsContact CE1-NE1 3.29Å; F35-W288 HydrophobicContact CE2-CD2 4.28Å; F35-W288 HydrophobicContact CE2-CE3 4.35Å; F35-W288 HydrophobicContact CE2-CH2 4.48Å; F35-W288 HydrophobicContact CE2-CZ2 4.39Å; F35-W288 HydrophobicContact CE2-CZ3 4.44Å; F35-W288 HydrophobicContact CG-CD2 4.49Å; F35-W288 AromaticContact CG-CE2 3.69Å; F35-W288 AromaticContact CG-CH2 3.9Å; F35-W288 HydrophobicContact CG-CH2 3.9Å; F35-W288 AromaticContact CG-CZ2 3.37Å; F35-W288 HydrophobicContact CG-CZ2 3.37Å; F35-W288 AromaticContact CZ-CD2 3.96Å; F35-W288 HydrophobicContact CZ-CD2 3.96Å; F35-W288 AromaticContact CZ-CE2 3.99Å; F35-W288 HydrophobicContact CZ-CE3 4.43Å; F35-W288 HydrophobicContact CZ-CG 4.13Å; Y155-W288 HydrophobicContact CD1-CB 4.33Å; Y155-W288 HydrophobicContact CE1-CB 3.94Å; P165-W288 HydrophobicContact CB-CB 4.25Å; P165-W288 HydrophobicContact CB-CD2 4.25Å; P165-W288 HydrophobicContact CB-CG 3.66Å; P165-W288 HydrophobicContact CG-CB 3.79Å; P165-W288 VanDerWaalsContact CG-CD1 3.49Å; P165-W288 HydrophobicContact CG-CG 3.75Å; T167-W288 PolarHBondContact OG1-NE1 3.41Å; Y202-W288 HydrophobicContact CD2-CH2 4.39Å; Y202-W288 HydrophobicContact CD2-CZ2 4.11Å; Y202-W288 HydrophobicContact CE1-CZ2 4.4Å; Y202-W288 HydrophobicContact CE2-CH2 4.31Å; Y202-W288 AromaticContact CE2-CZ2 3.62Å; Y202-W288 HydrophobicContact CE2-CZ2 3.62Å; Y202-W288 AromaticContact CZ-CZ2 3.8Å; C209-W288 HydrophobicContact CB-CH2 4.29Å; C209-W288 HydrophobicContact CB-CZ3 4.49Å; C209-W288 WeakPolarHBondContact SG-CZ3 3.48Å; Y285-W288 VanDerWaalsContact CB-O 3.3Å; Y285-W288 WeakPolarHBondContact CB-O 3.41Å; Y285-W288 WeakPolarHBondContact O-CB 3.39Å; Y285-W288 PolarHBondContact O-N 3.4Å; W288-A290 PolarHBondContact O-N 3.35Å
289	G	98.2	Very high	98.4	Very high	24 Å²	24	21.9 Å²	21.9	25%	0.247	16%	0.157	C	C	.	.	S	Bend	trans	63.6	-120.5	-179.3	0	0	0	0	0	111.4
290	A	98.5	Very high	98.3	Very high	33 Å²	33	20.4 Å²	20.4	27%	0.273	15%	0.151	S	C	.	.			trans	-158.1	173.7	175.5	0	0	0	0	0	110.2	F153 W288 L329	F153-A290 HydrophobicContact CB-CB 4.31Å; F153-A290 WeakPolarHBondContact CB-O 3.42Å; F153-A290 HydrophobicContact CD1-CB 3.56Å; F153-A290 HydrophobicContact CD2-CB 3.99Å; F153-A290 HydrophobicContact CE1-CB 3.65Å; F153-A290 HydrophobicContact CE2-CB 4.09Å; F153-A290 HydrophobicContact CG-CB 3.7Å; F153-A290 HydrophobicContact CZ-CB 3.9Å; W288-A290 PolarHBondContact O-N 3.35Å; A290-L329 HydrophobicContact CB-CD1 4.27Å; A290-L329 HydrophobicContact CB-CD2 4Å
291	H	98.6	Very high	98.1	Very high	45 Å²	45	18.9 Å²	18.9	21%	0.208	14%	0.144	C	C	.	.			trans	-141.1	143.5	177.1	-161	-84.8	0	0	0	110.8	F153 I281 T284 G293 G294	F153-H291 VanDerWaalsContact CD2-C 3.45Å; I281-H291 HydrophobicContact CD1-CB 3.67Å; T284-H291 VanDerWaalsContact CG2-CD2 3.45Å; T284-H291 WeakPolarHBondContact CG2-CD2 3.21Å; T284-H291 WeakPolarHBondContact CG2-NE2 3.5Å; T284-H291 PolarHBondContact OG1-CD2 2.86Å; H291-G293 PolarHBondContact ND1-N 3.27Å; H291-G294 PolarHBondContact CE1-O 3.23Å
292	G	97.8	Very high	97.8	Very high	29 Å²	29	15.8 Å²	15.8	30%	0.299	13%	0.129	S	C	.	.			trans	-94	-11.3	-175.5	0	0	0	0	0	115.4	L151	L151-G292 VanDerWaalsContact O-CA 3.28Å; L151-G292 WeakPolarHBondContact O-CA 3.35Å
293	G	97.6	Very high	97.5	Very high	50 Å²	50	17.1 Å²	17.1	52%	0.515	13%	0.134	S	C	.	.	S	Bend	trans	105.4	-21.7	173.3	0	0	0	0	0	114.4	H291	H291-G293 PolarHBondContact ND1-N 3.27Å
294	G	97.4	Very high	97.3	Very high	14 Å²	14	17.3 Å²	17.3	14%	0.144	14%	0.135	C	C	.	.			trans	-68.8	129.9	177.1	0	0	0	0	0	112.9	H291	H291-G294 PolarHBondContact CE1-O 3.23Å
295	S	98	Very high	97.2	Very high	17 Å²	17	18.5 Å²	18.5	12%	0.119	14%	0.141	C	C	.	.			trans	-71.9	160.6	168.5	58.6	0	0	0	0	111.9	G277 K299	G277-S295 VanDerWaalsContact CA-CB 3.45Å; S295-K299 WeakPolarHBondContact O-CD 3.49Å; S295-K299 WeakPolarHBondContact O-CE 3.36Å; S295-K299 PolarHBondContact O-NZ 2.8Å; S295-K299 VanDerWaalsContact OG-CE 3.31Å; S295-K299 WeakPolarHBondContact OG-CE 3.45Å; S295-K299 PolarHBondContact OG-NZ 3.44Å
296	F	98.6	Very high	97.1	Very high	4 Å²	4	18.5 Å²	18.5	2%	0.018	14%	0.141	C	C	.	.			trans	-97.4	-63.1	177.2	-54.5	-32.8	0	0	0	111.8	D283 T284 K299 D305 R306 A309 H393 F394	D283-F296 HydrophobicContact CB-CD2 3.99Å; D283-F296 HydrophobicContact CB-CE2 4.02Å; T284-F296 HydrophobicContact CG2-CE2 3.43Å; T284-F296 VanDerWaalsContact CG2-CE2 3.43Å; T284-F296 HydrophobicContact CG2-CZ 3.4Å; T284-F296 VanDerWaalsContact CG2-CZ 3.4Å; F296-K299 WeakPolarHBondContact O-CB 3.48Å; F296-K299 WeakPolarHBondContact O-CG 3.32Å; F296-K299 PolarHBondContact O-N 3.1Å; F296-D305 VanDerWaalsContact CE1-O 3.31Å; F296-D305 WeakPolarHBondContact CE1-O 3.39Å; F296-R306 HydrophobicContact CB-CG 4.46Å; F296-R306 HydrophobicContact CD1-CB 4.5Å; F296-R306 PolarHBondContact O-NE 3.36Å; F296-R306 PolarHBondContact O-NH2 3.06Å; F296-A309 HydrophobicContact CE1-CB 3.67Å; F296-A309 HydrophobicContact CZ-CB 3.94Å; F296-H393 WeakPolarHBondContact CB-CE1 3.26Å; F296-H393 HydrophobicContact CD2-CB 4.26Å; F296-H393 AromaticContact CD2-CD2 3.64Å; F296-H393 AromaticContact CD2-CE1 3.63Å; F296-H393 AromaticContact CD2-CG 3.55Å; F296-H393 AromaticContact CD2-ND1 3.51Å; F296-H393 AromaticContact CD2-NE2 3.67Å; F296-H393 HydrophobicContact CE2-CB 4.36Å; F296-H393 AromaticContact CG-CE1 3.95Å; F296-F394 HydrophobicContact CE2-CZ 4.31Å; F296-F394 HydrophobicContact CZ-CZ 4.35Å
297	S	98.7	Very high	97.1	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.5	142.8	-169.3	-43.7	0	0	0	0	114.9	D50 D54 K299	D50-S297 VanDerWaalsContact CB-OG 3.25Å; D50-S297 WeakPolarHBondContact CB-OG 3.23Å; D50-S297 VanDerWaalsContact OD1-CB 3.27Å; D50-S297 WeakPolarHBondContact OD1-CB 3.37Å; D50-S297 PolarHBondContact OD1-OG 2.84Å; D54-S297 WeakPolarHBondContact OD1-CA 3.44Å; D54-S297 WeakPolarHBondContact OD2-CA 3.42Å; S297-K299 VanDerWaalsContact C-N 3.28Å; S297-K299 PolarHBondContact O-N 2.95Å
298	G	98.2	Very high	97	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	6.2	179.2	0	0	0	0	0	116.6	D54 V69 S70 C71	D54-G298 PolarHBondContact OD1-N 2.69Å; V69-G298 CarbonylContact C-O 3.58Å; S70-G298 CarbonylContact C-O 3.43Å; S70-G298 VanDerWaalsContact CA-O 3.28Å; S70-G298 WeakPolarHBondContact CA-O 3.35Å; C71-G298 PolarHBondContact N-O 3.37Å; C71-G298 WeakPolarHBondContact O-CA 3.18Å
299	K	98	Very high	97	Very high	18 Å²	18	15.5 Å²	15.5	8%	0.078	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-110.9	127.1	-178.3	-60.7	178.9	-178.9	174.2	0	111.3	L57 S295 F296 S297 K303 D305 R306	L57-K299 WeakPolarHBondContact CD2-O 3.4Å; S295-K299 WeakPolarHBondContact O-CD 3.49Å; S295-K299 WeakPolarHBondContact O-CE 3.36Å; S295-K299 PolarHBondContact O-NZ 2.8Å; S295-K299 VanDerWaalsContact OG-CE 3.31Å; S295-K299 WeakPolarHBondContact OG-CE 3.45Å; S295-K299 PolarHBondContact OG-NZ 3.44Å; F296-K299 WeakPolarHBondContact O-CB 3.48Å; F296-K299 WeakPolarHBondContact O-CG 3.32Å; F296-K299 PolarHBondContact O-N 3.1Å; S297-K299 VanDerWaalsContact C-N 3.28Å; S297-K299 PolarHBondContact O-N 2.95Å; K299-K303 HydrophobicContact CB-CB 3.94Å; K299-K303 HydrophobicContact CB-CD 4.35Å; K299-K303 HydrophobicContact CB-CG 4.09Å; K299-K303 HydrophobicContact CD-CB 4.25Å; K299-K303 HydrophobicContact CD-CG 4.47Å; K299-K303 HydrophobicContact CG-CG 4.44Å; K299-D305 HydrophobicContact CD-CB 4.4Å; K299-D305 IonicContact NZ-OD2 2.91Å; K299-D305 PolarHBondContact NZ-OD2 3.02Å; K299-R306 PolarHBondContact O-NE 2.68Å; K299-R306 VanDerWaalsContact O-NE 3.1Å; K299-R306 PolarHBondContact O-NH1 2.63Å; K299-R306 PolarHBondContact O-NH2 2.54Å
300	D	96.1	Very high	97	Very high	3 Å²	3	14.3 Å²	14.3	2%	0.016	10%	0.102	C	C	.	.			trans	-65.4	164.4	172.6	84.1	-117.5	0	0	0	112.4	L57 K68 V69 S302 K303	L57-D300 HydrophobicContact CD1-CB 3.92Å; K68-D300 WeakPolarHBondContact CA-OD1 3.17Å; K68-D300 WeakPolarHBondContact CD-OD1 3.37Å; V69-D300 HydrophobicContact CB-CB 4.4Å; V69-D300 PolarHBondContact N-OD1 3.48Å; V69-D300 PolarHBondContact O-N 3.41Å; D300-S302 PolarHBondContact O-N 2.85Å; D300-S302 PolarHBondContact OD1-OG 3.18Å; D300-S302 WeakPolarHBondContact OD2-CA 3.45Å; D300-S302 VanDerWaalsContact OD2-CB 3.27Å; D300-S302 WeakPolarHBondContact OD2-CB 3.29Å; D300-S302 PolarHBondContact OD2-N 3.1Å; D300-S302 PolarHBondContact OD2-OG 3.36Å; D300-K303 WeakPolarHBondContact O-CB 3.34Å; D300-K303 WeakPolarHBondContact O-CD 3.36Å; D300-K303 PolarHBondContact O-N 3.4Å; D300-K303 WeakPolarHBondContact OD1-CD 3.49Å; D300-K303 IonicContact OD1-NZ 3.22Å; D300-K303 PolarHBondContact OD1-NZ 3.2Å
301	P	94.8	Very high	97	Very high	5 Å²	5	12.8 Å²	12.8	3%	0.032	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-17.3	-174.4	-24.6	36.4	0	0	0	116.5	K303 S307 I375 L380 Y385	P301-K303 PolarHBondContact O-N 2.95Å; P301-S307 WeakPolarHBondContact O-CB 3.27Å; P301-S307 PolarHBondContact O-OG 3.06Å; P301-I375 HydrophobicContact CB-CD1 4.15Å; P301-I375 HydrophobicContact CB-CG1 3.84Å; P301-I375 HydrophobicContact CB-CG2 4.4Å; P301-I375 WeakPolarHBondContact O-CD1 3.34Å; P301-L380 HydrophobicContact CB-CB 3.68Å; P301-L380 HydrophobicContact CB-CD1 4.2Å; P301-L380 HydrophobicContact CG-CB 3.78Å; P301-L380 VanDerWaalsContact CG-O 3.24Å; P301-L380 WeakPolarHBondContact CG-O 3.41Å; P301-Y385 HydrophobicContact CG-CE2 4.37Å; P301-Y385 VanDerWaalsContact CG-OH 3.29Å; P301-Y385 WeakPolarHBondContact CG-OH 3.14Å
302	S	91.7	Very high	97	Very high	9 Å²	9	10.6 Å²	10.6	6%	0.063	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-9.5	176	66.1	0	0	0	0	113.7	K68 D300 M304	K68-S302 WeakPolarHBondContact CD-OG 3.28Å; K68-S302 PolarHBondContact NZ-OG 3.03Å; D300-S302 PolarHBondContact O-N 2.85Å; D300-S302 PolarHBondContact OD1-OG 3.18Å; D300-S302 WeakPolarHBondContact OD2-CA 3.45Å; D300-S302 VanDerWaalsContact OD2-CB 3.27Å; D300-S302 WeakPolarHBondContact OD2-CB 3.29Å; D300-S302 PolarHBondContact OD2-N 3.1Å; D300-S302 PolarHBondContact OD2-OG 3.36Å; S302-M304 PolarHBondContact O-N 2.81Å
303	K	94.2	Very high	97.1	Very high	34 Å²	34	9.2 Å²	9.2	15%	0.148	7%	0.065	C	C	.	.	S	Bend	trans	-81.5	112.7	169.9	-75.8	77.7	-176.7	-165	0	109.3	V69 K299 D300 P301 D305 R306 S307	V69-K303 PolarHBondContact O-NZ 3.46Å; K299-K303 HydrophobicContact CB-CB 3.94Å; K299-K303 HydrophobicContact CB-CD 4.35Å; K299-K303 HydrophobicContact CB-CG 4.09Å; K299-K303 HydrophobicContact CD-CB 4.25Å; K299-K303 HydrophobicContact CD-CG 4.47Å; K299-K303 HydrophobicContact CG-CG 4.44Å; D300-K303 WeakPolarHBondContact O-CB 3.34Å; D300-K303 WeakPolarHBondContact O-CD 3.36Å; D300-K303 PolarHBondContact O-N 3.4Å; D300-K303 WeakPolarHBondContact OD1-CD 3.49Å; D300-K303 IonicContact OD1-NZ 3.22Å; D300-K303 PolarHBondContact OD1-NZ 3.2Å; P301-K303 PolarHBondContact O-N 2.95Å; K303-D305 PolarHBondContact O-N 3.11Å; K303-D305 VanDerWaalsContact O-N 3.16Å; K303-R306 PolarHBondContact O-N 3.36Å; K303-R306 VanDerWaalsContact O-N 3.08Å; K303-S307 PolarHBondContact O-N 3.12Å; K303-S307 PolarHBondContact O-OG 3.26Å
304	M	93.5	Very high	97.1	Very high	5 Å²	5	8 Å²	8	3%	0.025	4%	0.044	C	C	.	.	H	α-helix	trans	-61.6	-27.3	-173.8	-61.7	-47.1	-69.3	0	0	113.3	A146 M152 S302 R306 A308 Y334 A371 I374	A146-M304 HydrophobicContact CB-CG 3.69Å; M152-M304 HydrophobicContact CE-CB 4.08Å; S302-M304 PolarHBondContact O-N 2.81Å; M304-R306 PolarHBondContact O-N 3.01Å; M304-R306 VanDerWaalsContact O-N 3.09Å; M304-A308 HydrophobicContact CB-CB 4.43Å; M304-A308 HydrophobicContact CE-CB 3.82Å; M304-A308 WeakPolarHBondContact O-CB 3.02Å; M304-A308 PolarHBondContact O-N 3.41Å; M304-Y334 HydrophobicContact CB-CD2 4.3Å; M304-Y334 HydrophobicContact CE-CD1 4.16Å; M304-Y334 HydrophobicContact CE-CD2 3.98Å; M304-Y334 HydrophobicContact CE-CE1 3.66Å; M304-Y334 HydrophobicContact CE-CE2 3.46Å; M304-Y334 VanDerWaalsContact CE-CE2 3.46Å; M304-Y334 HydrophobicContact CE-CG 4.3Å; M304-Y334 WeakPolarHBondContact CE-OH 3.29Å; M304-Y334 HydrophobicContact CG-CD2 4.4Å; M304-Y334 HydrophobicContact CG-CG 4.36Å; M304-A371 HydrophobicContact CE-CB 3.84Å; M304-A371 HydrophobicContact SD-CB 3.39Å; M304-A371 WeakPolarHBondContact SD-CB 3.48Å; M304-I374 HydrophobicContact CE-CD1 4.26Å
305	D	96.6	Very high	97.2	Very high	30 Å²	30	7.3 Å²	7.3	16%	0.16	4%	0.037	C	C	.	.	H	α-helix	trans	-49	-38.5	173.7	-70.9	-21.7	0	0	0	112.5	M152 F296 K299 K303 A309	M152-D305 WeakPolarHBondContact CE-OD1 3.41Å; F296-D305 VanDerWaalsContact CE1-O 3.31Å; F296-D305 WeakPolarHBondContact CE1-O 3.39Å; K299-D305 HydrophobicContact CD-CB 4.4Å; K299-D305 IonicContact NZ-OD2 2.91Å; K299-D305 PolarHBondContact NZ-OD2 3.02Å; K303-D305 PolarHBondContact O-N 3.11Å; K303-D305 VanDerWaalsContact O-N 3.16Å; D305-A309 VanDerWaalsContact O-CB 3.24Å; D305-A309 WeakPolarHBondContact O-CB 3.45Å
306	R	97.8	Very high	97.2	Very high	1 Å²	1	6.5 Å²	6.5	0%	0.004	3%	0.032	C	C	.	.	H	α-helix	trans	-90.9	-60	179.9	-175.1	-175.5	-71.9	-158.3	-1.1	111.6	D54 F296 K299 K303 M304 A308 A309 Y310	D54-R306 IonicContact OD1-CZ 2.88Å; D54-R306 IonicContact OD1-NH1 2.83Å; D54-R306 PolarHBondContact OD1-NH1 3.42Å; D54-R306 IonicContact OD1-NH2 2.82Å; D54-R306 PolarHBondContact OD1-NH2 3.4Å; D54-R306 IonicContact OD2-NH2 2.72Å; F296-R306 HydrophobicContact CB-CG 4.46Å; F296-R306 HydrophobicContact CD1-CB 4.5Å; F296-R306 PolarHBondContact O-NE 3.36Å; F296-R306 PolarHBondContact O-NH2 3.06Å; K299-R306 PolarHBondContact O-NE 2.68Å; K299-R306 VanDerWaalsContact O-NE 3.1Å; K299-R306 PolarHBondContact O-NH1 2.63Å; K299-R306 PolarHBondContact O-NH2 2.54Å; K303-R306 PolarHBondContact O-N 3.36Å; K303-R306 VanDerWaalsContact O-N 3.08Å; M304-R306 PolarHBondContact O-N 3.01Å; M304-R306 VanDerWaalsContact O-N 3.09Å; R306-A308 PolarHBondContact O-N 3.08Å; R306-A309 PolarHBondContact O-N 2.9Å; R306-Y310 HydrophobicContact CG-CD1 4.47Å; R306-Y310 HydrophobicContact CG-CD2 4.2Å; R306-Y310 HydrophobicContact CG-CE1 3.91Å; R306-Y310 HydrophobicContact CG-CE2 3.62Å; R306-Y310 VanDerWaalsContact CG-CZ 3.46Å; R306-Y310 VanDerWaalsContact O-CD1 3.29Å; R306-Y310 WeakPolarHBondContact O-CD1 3.41Å; R306-Y310 VanDerWaalsContact O-CG 3.28Å; R306-Y310 PolarHBondContact O-N 3.4Å
307	S	96.9	Very high	97.2	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-67.5	-37.3	-170.3	52.5	0	0	0	0	113.1	P301 K303 Y310 A311 I374	P301-S307 WeakPolarHBondContact O-CB 3.27Å; P301-S307 PolarHBondContact O-OG 3.06Å; K303-S307 PolarHBondContact O-N 3.12Å; K303-S307 PolarHBondContact O-OG 3.26Å; S307-Y310 PolarHBondContact O-N 2.63Å; S307-A311 WeakPolarHBondContact O-CB 3.33Å; S307-A311 PolarHBondContact O-N 3.44Å; S307-I374 WeakPolarHBondContact O-CG2 3.44Å
308	A	97.4	Very high	97.2	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-74.5	-31	175.5	0	0	0	0	0	112.7	M152 M304 R306 Y310 A311 A312 Y334	M152-A308 HydrophobicContact CB-CB 4.16Å; M152-A308 HydrophobicContact CG-CB 3.84Å; M152-A308 HydrophobicContact SD-CB 3.82Å; M304-A308 HydrophobicContact CB-CB 4.43Å; M304-A308 HydrophobicContact CE-CB 3.82Å; M304-A308 WeakPolarHBondContact O-CB 3.02Å; M304-A308 PolarHBondContact O-N 3.41Å; R306-A308 PolarHBondContact O-N 3.08Å; A308-Y310 VanDerWaalsContact C-N 3.34Å; A308-A311 PolarHBondContact O-N 3.44Å; A308-A312 VanDerWaalsContact O-CB 3.3Å; A308-A312 WeakPolarHBondContact O-CB 3.43Å; A308-A312 PolarHBondContact O-N 3.48Å; A308-Y334 HydrophobicContact CB-CD2 4.3Å; A308-Y334 HydrophobicContact CB-CE2 3.56Å
309	A	98.5	Very high	97.2	Very high	4 Å²	4	6.6 Å²	6.6	3%	0.033	3%	0.032	C	C	.	.	H	α-helix	trans	-63.6	-42.4	170.7	0	0	0	0	0	111.1	M152 F296 D305 R306 A312 R313	M152-A309 HydrophobicContact CB-CB 4.22Å; M152-A309 HydrophobicContact CG-CB 4.39Å; F296-A309 HydrophobicContact CE1-CB 3.67Å; F296-A309 HydrophobicContact CZ-CB 3.94Å; D305-A309 VanDerWaalsContact O-CB 3.24Å; D305-A309 WeakPolarHBondContact O-CB 3.45Å; R306-A309 PolarHBondContact O-N 2.9Å; A309-A312 PolarHBondContact O-N 3Å; A309-R313 PolarHBondContact O-N 2.83Å
310	Y	98.7	Very high	97.3	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-63.5	-43.1	174.6	-65.8	0.1	0	0	0	111.6	R306 S307 A308 A312 R313 W314 L380 Y385 H393 F394 W401	R306-Y310 HydrophobicContact CG-CD1 4.47Å; R306-Y310 HydrophobicContact CG-CD2 4.2Å; R306-Y310 HydrophobicContact CG-CE1 3.91Å; R306-Y310 HydrophobicContact CG-CE2 3.62Å; R306-Y310 VanDerWaalsContact CG-CZ 3.46Å; R306-Y310 VanDerWaalsContact O-CD1 3.29Å; R306-Y310 WeakPolarHBondContact O-CD1 3.41Å; R306-Y310 VanDerWaalsContact O-CG 3.28Å; R306-Y310 PolarHBondContact O-N 3.4Å; S307-Y310 PolarHBondContact O-N 2.63Å; A308-Y310 VanDerWaalsContact C-N 3.34Å; Y310-A312 PolarHBondContact O-N 3.16Å; Y310-R313 PolarHBondContact O-N 2.87Å; Y310-W314 WeakPolarHBondContact O-CB 3.48Å; Y310-W314 PolarHBondContact O-N 2.63Å; Y310-L380 HydrophobicContact CD2-CD2 4.4Å; Y310-Y385 HydrophobicContact CE2-CE1 4.11Å; Y310-H393 HydrophobicContact CE1-CB 4.16Å; Y310-H393 AromaticContact CE1-ND1 3.65Å; Y310-H393 AromaticContact CZ-ND1 3.61Å; Y310-H393 PolarHBondContact OH-CE1 3.48Å; Y310-H393 PolarHBondContact OH-ND1 3.4Å; Y310-F394 AromaticContact CD1-CE1 3.73Å; Y310-F394 HydrophobicContact CD1-CE1 3.73Å; Y310-F394 HydrophobicContact CD1-CZ 4.26Å; Y310-F394 HydrophobicContact CE1-CE1 4.16Å; Y310-W401 HydrophobicContact CD1-CD2 4.35Å; Y310-W401 HydrophobicContact CD1-CZ2 4.47Å; Y310-W401 AromaticContact CD2-CD2 3.65Å; Y310-W401 HydrophobicContact CD2-CD2 3.65Å; Y310-W401 AromaticContact CD2-CE2 3.97Å; Y310-W401 AromaticContact CD2-CE3 3.28Å; Y310-W401 HydrophobicContact CD2-CE3 3.28Å; Y310-W401 AromaticContact CD2-CH2 3.67Å; Y310-W401 HydrophobicContact CD2-CH2 3.67Å; Y310-W401 AromaticContact CD2-CZ2 3.99Å; Y310-W401 HydrophobicContact CD2-CZ2 3.99Å; Y310-W401 AromaticContact CD2-CZ3 3.29Å; Y310-W401 HydrophobicContact CD2-CZ3 3.29Å; Y310-W401 HydrophobicContact CE1-CZ2 4.18Å; Y310-W401 HydrophobicContact CE2-CD2 4.18Å; Y310-W401 AromaticContact CE2-CE3 3.79Å; Y310-W401 HydrophobicContact CE2-CE3 3.79Å; Y310-W401 AromaticContact CE2-CH2 3.21Å; Y310-W401 HydrophobicContact CE2-CH2 3.21Å; Y310-W401 AromaticContact CE2-CZ2 3.63Å; Y310-W401 HydrophobicContact CE2-CZ2 3.63Å; Y310-W401 AromaticContact CE2-CZ3 3.29Å; Y310-W401 HydrophobicContact CE2-CZ3 3.29Å; Y310-W401 AromaticContact CG-CD2 3.72Å; Y310-W401 HydrophobicContact CG-CD2 3.72Å; Y310-W401 AromaticContact CG-CE3 3.83Å; Y310-W401 HydrophobicContact CG-CE3 3.83Å; Y310-W401 HydrophobicContact CG-CG 4.18Å; Y310-W401 HydrophobicContact CG-CH2 4.49Å; Y310-W401 HydrophobicContact CG-CZ2 4.38Å; Y310-W401 HydrophobicContact CG-CZ3 4.22Å; Y310-W401 AromaticContact CZ-CH2 3.73Å; Y310-W401 AromaticContact CZ-CZ2 3.73Å; Y310-W401 WeakPolarHBondContact O-CB 3.35Å
311	A	98.4	Very high	97.3	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-63	-40.4	174.7	0	0	0	0	0	112.3	S307 A308 W314 I315 L369 I374	S307-A311 WeakPolarHBondContact O-CB 3.33Å; S307-A311 PolarHBondContact O-N 3.44Å; A308-A311 PolarHBondContact O-N 3.44Å; A311-W314 WeakPolarHBondContact O-CB 3.4Å; A311-W314 PolarHBondContact O-N 2.66Å; A311-I315 VanDerWaalsContact O-CG1 3.32Å; A311-I315 WeakPolarHBondContact O-CG1 3.34Å; A311-I315 PolarHBondContact O-N 3.36Å; A311-L369 HydrophobicContact CB-CD2 4.36Å; A311-I374 HydrophobicContact CB-CD1 3.8Å; A311-I374 HydrophobicContact CB-CG1 4.02Å; A311-I374 HydrophobicContact CB-CG2 3.92Å
312	A	98.8	Very high	97.4	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-64.1	-43.3	177.2	0	0	0	0	0	111.2	G154 A308 A309 Y310 W314 I315 A316 I330 I332	G154-A312 VanDerWaalsContact CA-CB 3.47Å; G154-A312 WeakPolarHBondContact CA-O 3.25Å; G154-A312 VanDerWaalsContact N-CB 3.34Å; A308-A312 VanDerWaalsContact O-CB 3.3Å; A308-A312 WeakPolarHBondContact O-CB 3.43Å; A308-A312 PolarHBondContact O-N 3.48Å; A309-A312 PolarHBondContact O-N 3Å; Y310-A312 PolarHBondContact O-N 3.16Å; A312-W314 VanDerWaalsContact C-N 3.35Å; A312-I315 PolarHBondContact O-N 2.97Å; A312-A316 WeakPolarHBondContact O-CB 3.46Å; A312-A316 PolarHBondContact O-N 3.23Å; A312-I330 HydrophobicContact CB-CB 4.36Å; A312-I330 HydrophobicContact CB-CG2 4.22Å; A312-I332 HydrophobicContact CB-CD1 3.77Å; A312-I332 HydrophobicContact CB-CG1 4.1Å
313	R	98.8	Very high	97.6	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-58.8	-46.4	171.4	170.5	60	179.1	171.1	3.7	111.3	Y155 E162 C163 M164 A309 Y310 I315 A316 K317 F394 E402	Y155-R313 WeakPolarHBondContact O-CD 3.27Å; Y155-R313 PolarHBondContact O-NH1 3.44Å; E162-R313 PolarHBondContact O-NH2 3.31Å; C163-R313 PolarHBondContact O-NH1 3.29Å; M164-R313 VanDerWaalsContact SD-CZ 3.55Å; A309-R313 PolarHBondContact O-N 2.83Å; Y310-R313 PolarHBondContact O-N 2.87Å; R313-I315 VanDerWaalsContact C-N 3.33Å; R313-I315 PolarHBondContact O-N 3.27Å; R313-A316 PolarHBondContact O-N 3.07Å; R313-K317 WeakPolarHBondContact O-CB 3.49Å; R313-K317 PolarHBondContact O-N 3.16Å; R313-F394 HydrophobicContact CB-CD1 3.95Å; R313-F394 HydrophobicContact CB-CE1 3.79Å; R313-F394 HydrophobicContact CB-CG 4.47Å; R313-F394 HydrophobicContact CB-CZ 4.16Å; R313-F394 HydrophobicContact CG-CB 4.37Å; R313-F394 HydrophobicContact CG-CD1 3.58Å; R313-F394 HydrophobicContact CG-CE1 3.97Å; R313-F394 HydrophobicContact CG-CG 3.95Å; R313-E402 WeakPolarHBondContact CG-OE1 3.3Å; R313-E402 IonicContact CZ-OE1 3.45Å; R313-E402 IonicContact CZ-OE2 3.49Å; R313-E402 IonicContact NE-OE1 2.72Å; R313-E402 PolarHBondContact NE-OE1 2.92Å; R313-E402 IonicContact NE-OE2 3.09Å; R313-E402 IonicContact NH2-OE1 3.28Å; R313-E402 PolarHBondContact NH2-OE1 2.95Å; R313-E402 IonicContact NH2-OE2 3.73Å; R313-E402 PolarHBondContact NH2-OE2 2.84Å
314	W	98.7	Very high	97.7	Very high	23 Å²	23	12.9 Å²	12.9	9%	0.087	9%	0.089	C	C	.	.	H	α-helix	trans	-58.6	-44.1	179.9	-176.3	41.9	0	0	0	112.1	Y310 A311 A312 S318 F367 E377 L378 W401 K403 K405	Y310-W314 WeakPolarHBondContact O-CB 3.48Å; Y310-W314 PolarHBondContact O-N 2.63Å; A311-W314 WeakPolarHBondContact O-CB 3.4Å; A311-W314 PolarHBondContact O-N 2.66Å; A312-W314 VanDerWaalsContact C-N 3.35Å; W314-S318 VanDerWaalsContact O-CB 3.28Å; W314-S318 WeakPolarHBondContact O-CB 3.3Å; W314-S318 PolarHBondContact O-N 3.06Å; W314-S318 PolarHBondContact O-OG 3.1Å; W314-F367 HydrophobicContact CD2-CD1 4.17Å; W314-F367 AromaticContact CD2-CE1 3.64Å; W314-F367 HydrophobicContact CD2-CE1 3.64Å; W314-F367 AromaticContact CE2-CE1 3.92Å; W314-F367 AromaticContact CE3-CD1 3.57Å; W314-F367 HydrophobicContact CE3-CD1 3.57Å; W314-F367 AromaticContact CE3-CE1 3.55Å; W314-F367 HydrophobicContact CE3-CE1 3.55Å; W314-F367 HydrophobicContact CG-CE1 4.32Å; W314-F367 HydrophobicContact CH2-CD1 4.11Å; W314-F367 HydrophobicContact CH2-CE1 4.07Å; W314-F367 HydrophobicContact CZ2-CE1 4.14Å; W314-F367 AromaticContact CZ3-CD1 3.54Å; W314-F367 HydrophobicContact CZ3-CD1 3.54Å; W314-F367 AromaticContact CZ3-CE1 3.78Å; W314-F367 HydrophobicContact CZ3-CE1 3.78Å; W314-E377 HydrophobicContact CH2-CB 4.22Å; W314-E377 WeakPolarHBondContact CH2-OE2 3.44Å; W314-E377 HydrophobicContact CZ3-CB 4.36Å; W314-L378 HydrophobicContact CD2-CD2 3.82Å; W314-L378 HydrophobicContact CE3-CD2 3.87Å; W314-L378 HydrophobicContact CE3-CG 4.37Å; W314-L378 HydrophobicContact CG-CD2 4.24Å; W314-L378 HydrophobicContact CH2-CD2 4.42Å; W314-L378 HydrophobicContact CZ2-CD2 4.39Å; W314-L378 HydrophobicContact CZ3-CD2 4.17Å; W314-W401 WeakPolarHBondContact CA-O 3.26Å; W314-W401 HydrophobicContact CB-CB 4.06Å; W314-K403 PolarHBondContact NE1-O 3.45Å; W314-K405 HydrophobicContact CH2-CD 3.75Å; W314-K405 HydrophobicContact CZ2-CB 3.77Å; W314-K405 HydrophobicContact CZ2-CD 3.65Å; W314-K405 HydrophobicContact CZ2-CG 3.94Å
315	I	98.7	Very high	97.9	Very high	0 Å²	0	13 Å²	13	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-60.6	-54	172.7	-67	161	0	0	0	110.3	A311 A312 R313 K317 S318 L319 I330 I332 V363 F367 L369	A311-I315 VanDerWaalsContact O-CG1 3.32Å; A311-I315 WeakPolarHBondContact O-CG1 3.34Å; A311-I315 PolarHBondContact O-N 3.36Å; A312-I315 PolarHBondContact O-N 2.97Å; R313-I315 VanDerWaalsContact C-N 3.33Å; R313-I315 PolarHBondContact O-N 3.27Å; I315-K317 PolarHBondContact O-N 3.04Å; I315-S318 PolarHBondContact O-N 3Å; I315-S318 VanDerWaalsContact O-N 3.12Å; I315-L319 HydrophobicContact CG2-CD1 3.97Å; I315-L319 HydrophobicContact CG2-CG 4.32Å; I315-L319 WeakPolarHBondContact O-CG 3.27Å; I315-L319 PolarHBondContact O-N 2.97Å; I315-I330 HydrophobicContact CB-CG1 4.27Å; I315-I330 HydrophobicContact CD1-CG2 4.35Å; I315-I330 HydrophobicContact CG2-CD1 3.78Å; I315-I330 HydrophobicContact CG2-CG1 3.86Å; I315-I332 HydrophobicContact CD1-CD1 4.26Å; I315-V363 HydrophobicContact CD1-CG1 3.87Å; I315-V363 HydrophobicContact CG1-CG1 4.18Å; I315-V363 HydrophobicContact CG2-CB 4.4Å; I315-V363 HydrophobicContact CG2-CG1 3.88Å; I315-V363 HydrophobicContact CG2-CG2 3.52Å; I315-F367 HydrophobicContact CD1-CG 4.44Å; I315-F367 HydrophobicContact CG1-CB 4.41Å; I315-F367 HydrophobicContact CG1-CD1 3.86Å; I315-F367 HydrophobicContact CG1-CD2 3.87Å; I315-F367 HydrophobicContact CG1-CE1 4.01Å; I315-F367 HydrophobicContact CG1-CE2 4.02Å; I315-F367 HydrophobicContact CG1-CG 3.78Å; I315-F367 HydrophobicContact CG1-CZ 4.08Å; I315-F367 HydrophobicContact CG2-CE2 4.44Å; I315-L369 HydrophobicContact CD1-CD1 4.16Å; I315-L369 HydrophobicContact CD1-CD2 3.81Å
316	A	98.9	Very high	97.9	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-56.1	-50	-175.7	0	0	0	0	0	111.6	A156 A312 R313 S318 L319 V320 V328 I330	A156-A316 HydrophobicContact CB-CB 3.76Å; A156-A316 WeakPolarHBondContact CB-O 3.48Å; A312-A316 WeakPolarHBondContact O-CB 3.46Å; A312-A316 PolarHBondContact O-N 3.23Å; R313-A316 PolarHBondContact O-N 3.07Å; A316-S318 VanDerWaalsContact C-N 3.34Å; A316-S318 PolarHBondContact O-N 3.1Å; A316-L319 PolarHBondContact O-N 3.33Å; A316-V320 PolarHBondContact O-N 3.49Å; A316-V328 HydrophobicContact CB-CG1 3.84Å; A316-V328 WeakPolarHBondContact O-CG1 3.41Å; A316-I330 HydrophobicContact CB-CG1 3.92Å
317	K	98.8	Very high	98	Very high	5 Å²	5	16.6 Å²	16.6	2%	0.022	10%	0.102	C	C	.	.	H	α-helix	trans	-61.1	-42.9	177.2	-173	174.9	-172.3	-179.2	0	111.3	C163 R313 I315 L319 V320 V321 E397 E402	C163-K317 HydrophobicContact CB-CG 4.06Å; R313-K317 WeakPolarHBondContact O-CB 3.49Å; R313-K317 PolarHBondContact O-N 3.16Å; I315-K317 PolarHBondContact O-N 3.04Å; K317-L319 VanDerWaalsContact C-N 3.33Å; K317-L319 PolarHBondContact O-N 3.06Å; K317-V320 PolarHBondContact O-N 2.72Å; K317-V321 HydrophobicContact CG-CG2 4.12Å; K317-V321 WeakPolarHBondContact O-CB 3.31Å; K317-V321 VanDerWaalsContact O-CG2 3.3Å; K317-V321 WeakPolarHBondContact O-CG2 3.38Å; K317-V321 PolarHBondContact O-N 3.01Å; K317-E397 IonicContact NZ-OE1 2.55Å; K317-E397 PolarHBondContact NZ-OE1 2.89Å; K317-E402 WeakPolarHBondContact CD-O 3.39Å; K317-E402 VanDerWaalsContact CD-OE2 3.28Å; K317-E402 WeakPolarHBondContact CD-OE2 3.23Å; K317-E402 VanDerWaalsContact CE-O 3.25Å; K317-E402 WeakPolarHBondContact CE-O 3.3Å; K317-E402 WeakPolarHBondContact CE-OE2 3.32Å; K317-E402 PolarHBondContact NZ-O 3.29Å; K317-E402 IonicContact NZ-OE2 3.52Å; K317-E402 PolarHBondContact NZ-OE2 3.47Å
318	S	98.6	Very high	98	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.007	10%	0.102	C	C	.	.	H	α-helix	trans	-62.1	-38.7	179.5	-57.7	0	0	0	0	112.8	W314 I315 A316 A322 K405	W314-S318 VanDerWaalsContact O-CB 3.28Å; W314-S318 WeakPolarHBondContact O-CB 3.3Å; W314-S318 PolarHBondContact O-N 3.06Å; W314-S318 PolarHBondContact O-OG 3.1Å; I315-S318 PolarHBondContact O-N 3Å; I315-S318 VanDerWaalsContact O-N 3.12Å; A316-S318 VanDerWaalsContact C-N 3.34Å; A316-S318 PolarHBondContact O-N 3.1Å; S318-A322 WeakPolarHBondContact O-CB 3.18Å; S318-A322 PolarHBondContact O-N 3.07Å; S318-K405 PolarHBondContact OG-N 3.26Å
319	L	98.4	Very high	98.1	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-66.5	-42.2	177.4	-66	172.8	0	0	0	112.2	I315 A316 K317 G323 L324 V328 I330 L359 V362 V363 L407	I315-L319 HydrophobicContact CG2-CD1 3.97Å; I315-L319 HydrophobicContact CG2-CG 4.32Å; I315-L319 WeakPolarHBondContact O-CG 3.27Å; I315-L319 PolarHBondContact O-N 2.97Å; A316-L319 PolarHBondContact O-N 3.33Å; K317-L319 VanDerWaalsContact C-N 3.33Å; K317-L319 PolarHBondContact O-N 3.06Å; L319-G323 PolarHBondContact O-N 3.45Å; L319-L324 HydrophobicContact CD2-CD1 3.79Å; L319-L324 PolarHBondContact O-N 3.4Å; L319-V328 HydrophobicContact CB-CG1 4.46Å; L319-V328 HydrophobicContact CD1-CG2 4.12Å; L319-I330 HydrophobicContact CD1-CD1 3.92Å; L319-L359 HydrophobicContact CD2-CD2 4.41Å; L319-V362 HydrophobicContact CD2-CG1 4.4Å; L319-V363 HydrophobicContact CD1-CG2 4.03Å; L319-V363 HydrophobicContact CD2-CG2 4.1Å; L319-V363 HydrophobicContact CG-CG2 4.43Å; L319-L407 HydrophobicContact CD2-CD1 3.84Å
320	V	98.3	Very high	98.1	Very high	13 Å²	13	16.9 Å²	16.9	8%	0.079	10%	0.103	C	C	.	.	H	α-helix	trans	-67.4	-47.8	177.3	174.6	0	0	0	0	111	A156 D158 A316 K317 A322 G323 C325 V328	A156-V320 HydrophobicContact CB-CB 4.33Å; A156-V320 HydrophobicContact CB-CG2 3.71Å; D158-V320 HydrophobicContact CB-CG1 4.08Å; A316-V320 PolarHBondContact O-N 3.49Å; K317-V320 PolarHBondContact O-N 2.72Å; V320-A322 VanDerWaalsContact C-N 3.27Å; V320-A322 PolarHBondContact O-N 2.86Å; V320-G323 PolarHBondContact O-N 2.79Å; V320-C325 WeakPolarHBondContact CA-O 3.43Å; V320-V328 HydrophobicContact CG2-CG1 3.98Å
321	V	97.7	Very high	98.1	Very high	87 Å²	87	18.8 Å²	18.8	53%	0.527	11%	0.112	S	C	.	.	H	α-helix	trans	-62.7	-34.1	178.3	171.4	0	0	0	0	112.1	K317 G323 A404	K317-V321 HydrophobicContact CG-CG2 4.12Å; K317-V321 WeakPolarHBondContact O-CB 3.31Å; K317-V321 VanDerWaalsContact O-CG2 3.3Å; K317-V321 WeakPolarHBondContact O-CG2 3.38Å; K317-V321 PolarHBondContact O-N 3.01Å; V321-G323 PolarHBondContact O-N 3.14Å; V321-A404 HydrophobicContact CB-CB 3.91Å; V321-A404 HydrophobicContact CG1-CB 3.9Å; V321-A404 HydrophobicContact CG2-CB 3.96Å
322	A	96.5	Very high	98.1	Very high	41 Å²	41	18.8 Å²	18.8	34%	0.339	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-2.3	174.5	0	0	0	0	0	113.8	S318 V320 L324 L407	S318-A322 WeakPolarHBondContact O-CB 3.18Å; S318-A322 PolarHBondContact O-N 3.07Å; V320-A322 VanDerWaalsContact C-N 3.27Å; V320-A322 PolarHBondContact O-N 2.86Å; A322-L324 VanDerWaalsContact C-N 3.29Å; A322-L324 HydrophobicContact CB-CD1 4.46Å; A322-L324 HydrophobicContact CB-CG 4.02Å; A322-L324 PolarHBondContact O-N 2.85Å; A322-L407 HydrophobicContact CB-CD1 3.84Å; A322-L407 HydrophobicContact CB-CG 4.37Å
323	G	95.1	Very high	98	Very high	54 Å²	54	19.2 Å²	19.2	56%	0.557	12%	0.115	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.1	22.9	179.8	0	0	0	0	0	113.9	L319 V320 V321	L319-G323 PolarHBondContact O-N 3.45Å; V320-G323 PolarHBondContact O-N 2.79Å; V321-G323 PolarHBondContact O-N 3.14Å
324	L	96.3	Very high	97.9	Very high	6 Å²	6	19.5 Å²	19.5	3%	0.031	12%	0.116	C	C	.	.	S	Bend	trans	-82.1	-26.5	180	-57.4	-171.6	0	0	0	112.4	L319 A322 S352 L354 L359 V362 L407 I409 I417	L319-L324 HydrophobicContact CD2-CD1 3.79Å; L319-L324 PolarHBondContact O-N 3.4Å; A322-L324 VanDerWaalsContact C-N 3.29Å; A322-L324 HydrophobicContact CB-CD1 4.46Å; A322-L324 HydrophobicContact CB-CG 4.02Å; A322-L324 PolarHBondContact O-N 2.85Å; L324-S352 WeakPolarHBondContact O-CA 3.41Å; L324-S352 WeakPolarHBondContact O-CB 3.48Å; L324-S352 PolarHBondContact O-OG 3.3Å; L324-L354 HydrophobicContact CD2-CD1 4.35Å; L324-L359 HydrophobicContact CB-CD2 3.97Å; L324-L359 HydrophobicContact CD1-CD2 4.41Å; L324-V362 HydrophobicContact CD1-CG1 4Å; L324-L407 HydrophobicContact CD1-CD1 3.96Å; L324-I409 HydrophobicContact CD2-CD1 4.03Å; L324-I417 HydrophobicContact CD2-CD1 3.32Å; L324-I417 HydrophobicContact CD2-CG1 4.49Å
325	C	97.3	Very high	97.6	Very high	7 Å²	7	19.5 Å²	19.5	5%	0.047	12%	0.123	C	C	.	.			trans	-154.4	161	177.3	55	0	0	0	0	109.5	V320	V320-C325 WeakPolarHBondContact CA-O 3.43Å
326	R	97.9	Very high	97.1	Very high	87 Å²	87	25.2 Å²	25.2	33%	0.328	15%	0.153	S	C	.	.	S	Bend	trans	-93	-25.6	174	-58.9	-175.2	60.9	-156.8	-11.3	112.4	T157 D158 E205 A208 T351	T157-R326 CarbonylContact C-O 3.44Å; T157-R326 WeakPolarHBondContact CA-O 3.49Å; D158-R326 PolarHBondContact N-O 3.41Å; D158-R326 IonicContact OD1-CZ 2.66Å; D158-R326 IonicContact OD1-NE 2.86Å; D158-R326 IonicContact OD1-NH2 2.92Å; D158-R326 PolarHBondContact OD1-NH2 3.34Å; D158-R326 VanDerWaalsContact OD1-NH2 3.09Å; D158-R326 WeakPolarHBondContact OD2-CB 3.3Å; D158-R326 WeakPolarHBondContact OD2-CG 3.42Å; D158-R326 IonicContact OD2-CZ 2.66Å; D158-R326 IonicContact OD2-NE 3.59Å; D158-R326 PolarHBondContact OD2-NE 3.05Å; D158-R326 IonicContact OD2-NH2 3.56Å; D158-R326 PolarHBondContact OD2-NH2 3.46Å; E205-R326 IonicContact OE2-NH1 2.88Å; A208-R326 HydrophobicContact CB-CB 4.15Å; R326-T351 HydrophobicContact CB-CG2 4.17Å; R326-T351 PolarHBondContact N-OG1 3.05Å
327	R	98.6	Very high	96.5	Very high	20 Å²	20	27.3 Å²	27.3	8%	0.075	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	134.5	-178.2	-171.7	-178.3	173.8	-157.9	-0.3	109.5	Y155 A156 G207 C209 S348 Y349 T351	Y155-R327 HydrophobicContact CE2-CG 3.76Å; Y155-R327 WeakPolarHBondContact OH-CD 3.41Å; Y155-R327 WeakPolarHBondContact OH-CG 3.16Å; Y155-R327 PolarHBondContact OH-NE 2.85Å; A156-R327 WeakPolarHBondContact O-CA 3.44Å; G207-R327 WeakPolarHBondContact O-CD 3.3Å; G207-R327 PolarHBondContact O-NH1 2.89Å; C209-R327 PolarHBondContact SG-NH1 3.37Å; R327-S348 CarbonylContact O-C 3.59Å; R327-S348 VanDerWaalsContact O-C 3.28Å; R327-S348 WeakPolarHBondContact O-CA 3.27Å; R327-Y349 HydrophobicContact CB-CD2 4.39Å; R327-Y349 HydrophobicContact CG-CD2 3.81Å; R327-Y349 HydrophobicContact CG-CE2 4.27Å; R327-Y349 HydrophobicContact CG-CG 4.45Å; R327-T351 HydrophobicContact CB-CG2 3.94Å; R327-T351 PolarHBondContact N-OG1 2.81Å; R327-T351 PolarHBondContact O-OG1 3.06Å; R327-T351 VanDerWaalsContact O-OG1 3.05Å
328	V	98.8	Very high	95.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	141.4	-178.6	67.2	0	0	0	0	112.7	Y155 A156 A316 L319 V320 I330 I346 F347	Y155-V328 WeakPolarHBondContact CA-O 3.16Å; Y155-V328 WeakPolarHBondContact CD2-O 3.22Å; A156-V328 HydrophobicContact CB-CG1 4.33Å; A156-V328 PolarHBondContact N-O 3.06Å; A156-V328 VanDerWaalsContact N-O 3.13Å; A156-V328 PolarHBondContact O-N 2.97Å; A316-V328 HydrophobicContact CB-CG1 3.84Å; A316-V328 WeakPolarHBondContact O-CG1 3.41Å; L319-V328 HydrophobicContact CB-CG1 4.46Å; L319-V328 HydrophobicContact CD1-CG2 4.12Å; V320-V328 HydrophobicContact CG2-CG1 3.98Å; V328-I330 HydrophobicContact CG2-CD1 3.89Å; V328-I346 HydrophobicContact CG2-CG2 3.64Å; V328-F347 CarbonylContact C-O 3.47Å; V328-F347 VanDerWaalsContact CA-O 3.29Å; V328-F347 WeakPolarHBondContact CA-O 3.47Å
329	L	98.8	Very high	95.4	Very high	11 Å²	11	30 Å²	30	6%	0.058	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128.2	168.1	179.9	68.4	0	0	0	109.3	F153 G154 Y155 A290 I346 F347 Y349	F153-L329 HydrophobicContact CB-CD1 4.08Å; F153-L329 HydrophobicContact CD1-CD1 3.85Å; F153-L329 HydrophobicContact CD1-CD2 4.13Å; F153-L329 HydrophobicContact CD1-CG 4.07Å; F153-L329 HydrophobicContact CE1-CD2 4.34Å; F153-L329 HydrophobicContact CG-CD1 4.4Å; G154-L329 CarbonylContact O-C 3.16Å; G154-L329 WeakPolarHBondContact O-CA 3.32Å; Y155-L329 HydrophobicContact CD2-CB 4.41Å; Y155-L329 HydrophobicContact CD2-CD1 4.44Å; A290-L329 HydrophobicContact CB-CD1 4.27Å; A290-L329 HydrophobicContact CB-CD2 4Å; L329-I346 CarbonylContact O-C 3.45Å; L329-I346 WeakPolarHBondContact O-CA 3.22Å; L329-F347 HydrophobicContact CB-CB 4.28Å; L329-F347 HydrophobicContact CB-CD2 4.44Å; L329-F347 HydrophobicContact CD2-CD2 4.22Å; L329-F347 HydrophobicContact CG-CD2 4.45Å; L329-F347 PolarHBondContact N-O 3.07Å; L329-F347 PolarHBondContact O-N 2.88Å; L329-Y349 HydrophobicContact CB-CE2 3.74Å; L329-Y349 WeakPolarHBondContact CB-OH 3.41Å; L329-Y349 WeakPolarHBondContact CD2-OH 3.39Å
330	I	98.7	Very high	95	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	133	174.6	-53.1	-61.6	0	0	0	107.6	F153 G154 A312 I315 A316 L319 V328 I332 L344 T345 I346	F153-I330 CarbonylContact C-O 3.59Å; F153-I330 WeakPolarHBondContact CA-O 3.21Å; G154-I330 PolarHBondContact N-O 3.45Å; G154-I330 PolarHBondContact O-N 3.11Å; A312-I330 HydrophobicContact CB-CB 4.36Å; A312-I330 HydrophobicContact CB-CG2 4.22Å; I315-I330 HydrophobicContact CB-CG1 4.27Å; I315-I330 HydrophobicContact CD1-CG2 4.35Å; I315-I330 HydrophobicContact CG2-CD1 3.78Å; I315-I330 HydrophobicContact CG2-CG1 3.86Å; A316-I330 HydrophobicContact CB-CG1 3.92Å; L319-I330 HydrophobicContact CD1-CD1 3.92Å; V328-I330 HydrophobicContact CG2-CD1 3.89Å; I330-I332 HydrophobicContact CG2-CG1 4.08Å; I330-L344 HydrophobicContact CG2-CD1 3.84Å; I330-T345 CarbonylContact C-O 3.57Å; I330-T345 WeakPolarHBondContact CA-O 3.04Å; I330-I346 HydrophobicContact CD1-CB 4.18Å; I330-I346 HydrophobicContact CD1-CD1 3.99Å; I330-I346 HydrophobicContact CD1-CG1 3.67Å; I330-I346 HydrophobicContact CD1-CG2 3.88Å
331	Q	98.6	Very high	94.9	Very high	40 Å²	40	35.6 Å²	35.6	19%	0.187	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	130.4	168.3	-175.8	-173.1	48.1	0	0	109	M152 F153 L344 T345	M152-Q331 WeakPolarHBondContact O-CA 3.35Å; F153-Q331 HydrophobicContact CD1-CB 3.86Å; F153-Q331 HydrophobicContact CD1-CG 4.06Å; F153-Q331 HydrophobicContact CE1-CB 3.68Å; F153-Q331 HydrophobicContact CE1-CG 3.6Å; F153-Q331 HydrophobicContact CZ-CB 4.46Å; F153-Q331 HydrophobicContact CZ-CG 3.88Å; Q331-L344 CarbonylContact O-C 3.58Å; Q331-L344 WeakPolarHBondContact O-CA 3.35Å; Q331-T345 PolarHBondContact N-O 3.21Å; Q331-T345 PolarHBondContact O-N 2.62Å
332	I	98	Very high	94.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	135.2	171.4	-45.8	-179.8	0	0	0	107.4	M152 A312 I315 I330 Y334 P341 L344 L369	M152-I332 PolarHBondContact N-O 2.76Å; M152-I332 PolarHBondContact O-N 3.12Å; A312-I332 HydrophobicContact CB-CD1 3.77Å; A312-I332 HydrophobicContact CB-CG1 4.1Å; I315-I332 HydrophobicContact CD1-CD1 4.26Å; I330-I332 HydrophobicContact CG2-CG1 4.08Å; I332-Y334 HydrophobicContact CB-CE2 4.4Å; I332-Y334 HydrophobicContact CG2-CD2 4.17Å; I332-Y334 HydrophobicContact CG2-CE2 3.39Å; I332-P341 HydrophobicContact CG2-CB 3.82Å; I332-P341 HydrophobicContact CG2-CG 3.95Å; I332-L344 HydrophobicContact CG1-CD1 3.9Å; I332-L369 HydrophobicContact CD1-CD1 4.16Å; I332-L369 HydrophobicContact CD1-CD2 4.37Å
333	A	97.4	Very high	94.8	Very high	9 Å²	9	36.5 Å²	36.5	7%	0.074	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	143.5	173	0	0	0	0	0	111.4	G150 P341 V342 S343	G150-A333 VanDerWaalsContact O-CA 3.29Å; G150-A333 WeakPolarHBondContact O-CA 3.5Å; A333-P341 CarbonylContact O-C 3.55Å; A333-P341 VanDerWaalsContact O-CA 3.25Å; A333-P341 WeakPolarHBondContact O-CA 3.33Å; A333-P341 WeakPolarHBondContact O-CB 3.24Å; A333-V342 HydrophobicContact CB-CG2 3.8Å; A333-V342 WeakPolarHBondContact O-CG2 3.37Å; A333-V342 PolarHBondContact O-N 3.01Å; A333-S343 WeakPolarHBondContact CB-OG 3.34Å; A333-S343 PolarHBondContact N-O 2.73Å; A333-S343 VanDerWaalsContact N-O 3.09Å
334	Y	96	Very high	94.9	Very high	6 Å²	6	35.3 Å²	35.3	2%	0.024	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	144.5	174.2	-66	-95.7	0	0	0	110.4	A146 Q149 G150 M152 M304 A308 I332 P341 L369	A146-Y334 HydrophobicContact CB-CD1 4.33Å; A146-Y334 HydrophobicContact CB-CG 4.34Å; Q149-Y334 WeakPolarHBondContact CA-O 3.49Å; G150-Y334 PolarHBondContact N-O 2.84Å; G150-Y334 PolarHBondContact O-N 2.96Å; M152-Y334 HydrophobicContact SD-CD2 4.16Å; M304-Y334 HydrophobicContact CB-CD2 4.3Å; M304-Y334 HydrophobicContact CE-CD1 4.16Å; M304-Y334 HydrophobicContact CE-CD2 3.98Å; M304-Y334 HydrophobicContact CE-CE1 3.66Å; M304-Y334 HydrophobicContact CE-CE2 3.46Å; M304-Y334 VanDerWaalsContact CE-CE2 3.46Å; M304-Y334 HydrophobicContact CE-CG 4.3Å; M304-Y334 WeakPolarHBondContact CE-OH 3.29Å; M304-Y334 HydrophobicContact CG-CD2 4.4Å; M304-Y334 HydrophobicContact CG-CG 4.36Å; A308-Y334 HydrophobicContact CB-CD2 4.3Å; A308-Y334 HydrophobicContact CB-CE2 3.56Å; I332-Y334 HydrophobicContact CB-CE2 4.4Å; I332-Y334 HydrophobicContact CG2-CD2 4.17Å; I332-Y334 HydrophobicContact CG2-CE2 3.39Å; Y334-P341 HydrophobicContact CE1-CB 4.15Å; Y334-P341 HydrophobicContact CE1-CG 3.76Å; Y334-P341 HydrophobicContact CE2-CG 4.49Å; Y334-L369 PolarHBondContact OH-O 3.28Å
335	G	92	Very high	95	Very high	23 Å²	23	37.3 Å²	37.3	24%	0.237	22%	0.22	C	C	.	.			trans	-92.1	149.9	163.8	0	0	0	0	0	110.5	G337 S338	G335-G337 PolarHBondContact O-N 3.16Å; G335-S338 PolarHBondContact N-OG 3.28Å; G335-S338 WeakPolarHBondContact O-CB 3.4Å; G335-S338 PolarHBondContact O-N 3.37Å; G335-S338 PolarHBondContact O-OG 3.34Å
336	I	88.3	Confident	95	Very high	120 Å²	120	37.3 Å²	37.3	62%	0.615	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	132.3	174.8	-171.2	169.1	0	0	0	111	S338	I336-S338 PolarHBondContact O-N 2.95Å
337	G	86.1	Confident	95	Very high	44 Å²	44	37.6 Å²	37.6	45%	0.454	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	-4.2	-177.9	0	0	0	0	0	115.5	T145 A146 G335	T145-G337 WeakPolarHBondContact CG2-O 3.36Å; A146-G337 PolarHBondContact O-N 3.1Å; G335-G337 PolarHBondContact O-N 3.16Å
338	S	87.5	Confident	95	Very high	25 Å²	25	36.8 Å²	36.8	18%	0.175	22%	0.22	C	C	.	.			trans	-70.2	146.6	175.2	66.6	0	0	0	0	111.7	T145 A146 G335 I336 D340	T145-S338 WeakPolarHBondContact CA-O 3.37Å; A146-S338 PolarHBondContact N-O 3.34Å; G335-S338 PolarHBondContact N-OG 3.28Å; G335-S338 WeakPolarHBondContact O-CB 3.4Å; G335-S338 PolarHBondContact O-N 3.37Å; G335-S338 PolarHBondContact O-OG 3.34Å; I336-S338 PolarHBondContact O-N 2.95Å; S338-D340 WeakPolarHBondContact CB-O 3.45Å; S338-D340 PolarHBondContact OG-O 3.27Å
339	V	86.9	Confident	94.9	Very high	36 Å²	36	40.5 Å²	40.5	22%	0.218	24%	0.235	C	C	.	.	S	Bend	trans	-92.8	-43.6	172	177.8	0	0	0	0	109.7	K143 T145 R370	K143-V339 HydrophobicContact CG-CG2 4.38Å; T145-V339 HydrophobicContact CG2-CG2 3.95Å; V339-R370 HydrophobicContact CG1-CB 4.2Å; V339-R370 HydrophobicContact CG1-CG 3.9Å; V339-R370 WeakPolarHBondContact O-CA 3.35Å
340	D	91	Very high	94.8	Very high	98 Å²	98	42.7 Å²	42.7	52%	0.524	26%	0.26	S	S	.	.	S	Bend	trans	-98.3	150.6	179.4	-57.1	-73.6	0	0	0	110.7	S338 R370	S338-D340 WeakPolarHBondContact CB-O 3.45Å; S338-D340 PolarHBondContact OG-O 3.27Å; D340-R370 WeakPolarHBondContact OD1-CD 3.23Å; D340-R370 WeakPolarHBondContact OD1-CG 3.49Å
341	P	94.6	Very high	94.7	Very high	34 Å²	34	43.7 Å²	43.7	22%	0.221	27%	0.266	C	S	.	.			trans	-56.9	140.8	171.3	-18.1	27.3	0	0	0	111.6	I332 A333 Y334 S343 L369	I332-P341 HydrophobicContact CG2-CB 3.82Å; I332-P341 HydrophobicContact CG2-CG 3.95Å; A333-P341 CarbonylContact O-C 3.55Å; A333-P341 VanDerWaalsContact O-CA 3.25Å; A333-P341 WeakPolarHBondContact O-CA 3.33Å; A333-P341 WeakPolarHBondContact O-CB 3.24Å; Y334-P341 HydrophobicContact CE1-CB 4.15Å; Y334-P341 HydrophobicContact CE1-CG 3.76Å; Y334-P341 HydrophobicContact CE2-CG 4.49Å; P341-S343 VanDerWaalsContact C-N 3.31Å; P341-L369 HydrophobicContact CG-CB 3.66Å; P341-L369 HydrophobicContact CG-CD1 4.41Å
342	V	95.4	Very high	94.6	Very high	101 Å²	101	42.6 Å²	42.6	61%	0.612	26%	0.263	S	S	*	.	S	Bend	trans	-76.2	-22.9	171.8	-60.8	0	0	0	0	112	A333	A333-V342 HydrophobicContact CB-CG2 3.8Å; A333-V342 WeakPolarHBondContact O-CG2 3.37Å; A333-V342 PolarHBondContact O-N 3.01Å
343	S	96.5	Very high	94.3	Very high	46 Å²	46	47.6 Å²	47.6	32%	0.322	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	153.9	170.9	66.5	0	0	0	0	112	A333 P341	A333-S343 WeakPolarHBondContact CB-OG 3.34Å; A333-S343 PolarHBondContact N-O 2.73Å; A333-S343 VanDerWaalsContact N-O 3.09Å; P341-S343 VanDerWaalsContact C-N 3.31Å
344	L	97.8	Very high	94.2	Very high	28 Å²	28	47.4 Å²	47.4	15%	0.147	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	117.7	171.4	173.2	66.1	0	0	0	107.8	I330 Q331 I332 L360 V363 K364 L369	I330-L344 HydrophobicContact CG2-CD1 3.84Å; Q331-L344 CarbonylContact O-C 3.58Å; Q331-L344 WeakPolarHBondContact O-CA 3.35Å; I332-L344 HydrophobicContact CG1-CD1 3.9Å; L344-L360 HydrophobicContact CB-CD1 4.2Å; L344-L360 HydrophobicContact CD2-CD1 3.45Å; L344-L360 VanDerWaalsContact CD2-CD1 3.45Å; L344-L360 HydrophobicContact CG-CD1 3.58Å; L344-V363 HydrophobicContact CD2-CG1 3.84Å; L344-K364 HydrophobicContact CD2-CG 4.4Å; L344-L369 HydrophobicContact CD1-CD1 3.99Å; L344-L369 HydrophobicContact CD2-CD1 3.84Å; L344-L369 HydrophobicContact CG-CD1 4.45Å
345	T	97.9	Very high	94.1	Very high	48 Å²	48	49.5 Å²	49.5	29%	0.294	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	142.5	-176.4	-48	0	0	0	0	110.3	I330 Q331 F347	I330-T345 CarbonylContact C-O 3.57Å; I330-T345 WeakPolarHBondContact CA-O 3.04Å; Q331-T345 PolarHBondContact N-O 3.21Å; Q331-T345 PolarHBondContact O-N 2.62Å; T345-F347 HydrophobicContact CG2-CD2 4.26Å; T345-F347 HydrophobicContact CG2-CE1 4.27Å; T345-F347 HydrophobicContact CG2-CE2 3.49Å; T345-F347 VanDerWaalsContact CG2-CE2 3.49Å; T345-F347 HydrophobicContact CG2-CZ 3.5Å; T345-F347 VanDerWaalsContact CG2-CZ 3.5Å
346	I	98.4	Very high	94.3	Very high	7 Å²	7	52.4 Å²	52.4	4%	0.036	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	131.9	-179.5	-54.9	-172.1	0	0	0	108.9	V328 L329 I330 E356 L359 L360 V363	V328-I346 HydrophobicContact CG2-CG2 3.64Å; L329-I346 CarbonylContact O-C 3.45Å; L329-I346 WeakPolarHBondContact O-CA 3.22Å; I330-I346 HydrophobicContact CD1-CB 4.18Å; I330-I346 HydrophobicContact CD1-CD1 3.99Å; I330-I346 HydrophobicContact CD1-CG1 3.67Å; I330-I346 HydrophobicContact CD1-CG2 3.88Å; I346-E356 VanDerWaalsContact O-CG 3.24Å; I346-E356 WeakPolarHBondContact O-CG 3.24Å; I346-L359 HydrophobicContact CD1-CB 4.12Å; I346-L359 HydrophobicContact CG2-CB 4.22Å; I346-L359 HydrophobicContact CG2-CD1 4.11Å; I346-L360 HydrophobicContact CD1-CB 4.24Å; I346-L360 HydrophobicContact CD1-CD1 4.28Å; I346-L360 HydrophobicContact CG1-CD1 4.4Å; I346-V363 HydrophobicContact CD1-CB 4.17Å; I346-V363 HydrophobicContact CD1-CG2 3.56Å
347	F	98.4	Very high	94.6	Very high	94 Å²	94	49.6 Å²	49.6	41%	0.412	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	111.7	172	-57.1	-86.1	0	0	0	109.1	V328 L329 T345 Y349	V328-F347 CarbonylContact C-O 3.47Å; V328-F347 VanDerWaalsContact CA-O 3.29Å; V328-F347 WeakPolarHBondContact CA-O 3.47Å; L329-F347 HydrophobicContact CB-CB 4.28Å; L329-F347 HydrophobicContact CB-CD2 4.44Å; L329-F347 HydrophobicContact CD2-CD2 4.22Å; L329-F347 HydrophobicContact CG-CD2 4.45Å; L329-F347 PolarHBondContact N-O 3.07Å; L329-F347 PolarHBondContact O-N 2.88Å; T345-F347 HydrophobicContact CG2-CD2 4.26Å; T345-F347 HydrophobicContact CG2-CE1 4.27Å; T345-F347 HydrophobicContact CG2-CE2 3.49Å; T345-F347 VanDerWaalsContact CG2-CE2 3.49Å; T345-F347 HydrophobicContact CG2-CZ 3.5Å; T345-F347 VanDerWaalsContact CG2-CZ 3.5Å; F347-Y349 VanDerWaalsContact C-N 3.29Å; F347-Y349 HydrophobicContact CB-CE2 4.48Å; F347-Y349 WeakPolarHBondContact O-CD2 3.49Å
348	S	97.9	Very high	95.1	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.014	29%	0.292	C	S	.	.			trans	-84.4	-4.1	179.4	72.8	0	0	0	0	113.7	R327 G350 T351 E356	R327-S348 CarbonylContact O-C 3.59Å; R327-S348 VanDerWaalsContact O-C 3.28Å; R327-S348 WeakPolarHBondContact O-CA 3.27Å; S348-G350 PolarHBondContact O-N 2.82Å; S348-G350 PolarHBondContact OG-N 2.93Å; S348-T351 WeakPolarHBondContact O-CB 3.27Å; S348-T351 PolarHBondContact O-N 3.21Å; S348-T351 PolarHBondContact O-OG1 2.87Å; S348-E356 PolarHBondContact OG-OE1 2.94Å
349	Y	97.7	Very high	95.5	Very high	79 Å²	79	48.2 Å²	48.2	31%	0.31	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	22.7	-171.3	-60	-87.7	0	0	0	113.8	Y155 G207 R327 L329 F347 T351	Y155-Y349 HydrophobicContact CE2-CE2 4.19Å; G207-Y349 VanDerWaalsContact CA-O 3.28Å; G207-Y349 WeakPolarHBondContact CA-O 3.49Å; R327-Y349 HydrophobicContact CB-CD2 4.39Å; R327-Y349 HydrophobicContact CG-CD2 3.81Å; R327-Y349 HydrophobicContact CG-CE2 4.27Å; R327-Y349 HydrophobicContact CG-CG 4.45Å; L329-Y349 HydrophobicContact CB-CE2 3.74Å; L329-Y349 WeakPolarHBondContact CB-OH 3.41Å; L329-Y349 WeakPolarHBondContact CD2-OH 3.39Å; F347-Y349 VanDerWaalsContact C-N 3.29Å; F347-Y349 HydrophobicContact CB-CE2 4.48Å; F347-Y349 WeakPolarHBondContact O-CD2 3.49Å; Y349-T351 VanDerWaalsContact C-N 3.28Å; Y349-T351 PolarHBondContact O-N 2.75Å
350	G	95.8	Very high	95.9	Very high	56 Å²	56	48.2 Å²	48.2	58%	0.577	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	7.5	-175.6	0	0	0	0	0	114.5	S348 S352	S348-G350 PolarHBondContact O-N 2.82Å; S348-G350 PolarHBondContact OG-N 2.93Å; G350-S352 VanDerWaalsContact C-N 3.32Å
351	T	97.1	Very high	96.1	Very high	21 Å²	21	47.9 Å²	47.9	13%	0.129	28%	0.28	C	S	.	.			trans	-86.9	-2.4	-179.1	69.8	0	0	0	0	114.3	N206 G207 A208 R326 R327 S348 Y349	N206-T351 WeakPolarHBondContact O-CG2 3.1Å; G207-T351 VanDerWaalsContact C-CG2 3.43Å; A208-T351 HydrophobicContact CB-CG2 4.01Å; A208-T351 VanDerWaalsContact N-CG2 3.33Å; R326-T351 HydrophobicContact CB-CG2 4.17Å; R326-T351 PolarHBondContact N-OG1 3.05Å; R327-T351 HydrophobicContact CB-CG2 3.94Å; R327-T351 PolarHBondContact N-OG1 2.81Å; R327-T351 PolarHBondContact O-OG1 3.06Å; R327-T351 VanDerWaalsContact O-OG1 3.05Å; S348-T351 WeakPolarHBondContact O-CB 3.27Å; S348-T351 PolarHBondContact O-N 3.21Å; S348-T351 PolarHBondContact O-OG1 2.87Å; Y349-T351 VanDerWaalsContact C-N 3.28Å; Y349-T351 PolarHBondContact O-N 2.75Å
352	S	95.9	Very high	96.2	Very high	18 Å²	18	46.3 Å²	46.3	13%	0.126	27%	0.27	C	S	.	.			trans	-101.6	145.3	179.8	173.3	0	0	0	0	110.5	L324 G350 L354	L324-S352 WeakPolarHBondContact O-CA 3.41Å; L324-S352 WeakPolarHBondContact O-CB 3.48Å; L324-S352 PolarHBondContact O-OG 3.3Å; G350-S352 VanDerWaalsContact C-N 3.32Å; S352-L354 VanDerWaalsContact C-N 3.3Å; S352-L354 WeakPolarHBondContact CB-O 3.35Å; S352-L354 WeakPolarHBondContact OG-CA 3.46Å; S352-L354 WeakPolarHBondContact OG-CB 3.26Å; S352-L354 PolarHBondContact OG-N 3.48Å; S352-L354 PolarHBondContact OG-O 2.85Å
353	L	92.6	Very high	96.3	Very high	105 Å²	105	41.5 Å²	41.5	55%	0.55	24%	0.24	S	C	.	.	S	Bend	trans	-80.7	-17.1	166.7	-64.6	171.4	0	0	0	112.6	A420	L353-A420 HydrophobicContact CD1-CB 3.22Å; L353-A420 HydrophobicContact CD2-CB 4.41Å; L353-A420 HydrophobicContact CG-CB 4.43Å
354	L	94.4	Very high	96.2	Very high	5 Å²	5	45.6 Å²	45.6	3%	0.026	25%	0.252	C	S	.	.	S	Bend	trans	-91.4	145.3	175.8	-50.6	176.9	0	0	0	109.6	L324 S352 E358 L359 V413 K416	L324-L354 HydrophobicContact CD2-CD1 4.35Å; S352-L354 VanDerWaalsContact C-N 3.3Å; S352-L354 WeakPolarHBondContact CB-O 3.35Å; S352-L354 WeakPolarHBondContact OG-CA 3.46Å; S352-L354 WeakPolarHBondContact OG-CB 3.26Å; S352-L354 PolarHBondContact OG-N 3.48Å; S352-L354 PolarHBondContact OG-O 2.85Å; L354-E358 HydrophobicContact CB-CB 3.99Å; L354-L359 HydrophobicContact CB-CD2 4.32Å; L354-L359 HydrophobicContact CB-CG 4.14Å; L354-L359 HydrophobicContact CD1-CD2 3.95Å; L354-V413 HydrophobicContact CD1-CG1 3.3Å; L354-V413 HydrophobicContact CD2-CB 4.41Å; L354-V413 HydrophobicContact CD2-CG1 3.71Å; L354-V413 HydrophobicContact CD2-CG2 4.45Å; L354-V413 HydrophobicContact CG-CG1 4.11Å; L354-K416 HydrophobicContact CD2-CB 4.28Å; L354-K416 HydrophobicContact CD2-CD 4.1Å
355	S	94.6	Very high	96.1	Very high	50 Å²	50	48.1 Å²	48.1	35%	0.35	27%	0.272	S	S	.	.			trans	-63.4	158.7	167.3	61.2	0	0	0	0	111.4	A357 E358 L359	S355-A357 PolarHBondContact O-N 3.49Å; S355-E358 PolarHBondContact N-OE2 3.31Å; S355-E358 PolarHBondContact O-N 3.48Å; S355-E358 VanDerWaalsContact O-N 3.07Å; S355-E358 VanDerWaalsContact OG-CG 3.27Å; S355-E358 WeakPolarHBondContact OG-CG 3.39Å; S355-E358 PolarHBondContact OG-N 3.4Å; S355-E358 PolarHBondContact OG-OE2 3.31Å; S355-L359 PolarHBondContact O-N 3.42Å
356	E	96.4	Very high	96	Very high	84 Å²	84	46.5 Å²	46.5	39%	0.393	26%	0.262	S	S	.	.	H	α-helix	trans	-58.3	-33.3	175.3	-73.2	64.6	-151.1	0	0	111.7	I346 S348 L360	I346-E356 VanDerWaalsContact O-CG 3.24Å; I346-E356 WeakPolarHBondContact O-CG 3.24Å; S348-E356 PolarHBondContact OG-OE1 2.94Å; E356-L360 VanDerWaalsContact O-CB 3.26Å; E356-L360 WeakPolarHBondContact O-CB 3.38Å; E356-L360 PolarHBondContact O-N 2.98Å
357	A	94.6	Very high	96	Very high	60 Å²	60	46.8 Å²	46.8	50%	0.496	26%	0.263	S	S	.	.	H	α-helix	trans	-65.3	-43.6	174.7	0	0	0	0	0	111.9	S355 L360 D361	S355-A357 PolarHBondContact O-N 3.49Å; A357-L360 WeakPolarHBondContact O-CB 3.28Å; A357-L360 PolarHBondContact O-N 3.06Å; A357-D361 PolarHBondContact O-N 3.39Å
358	E	94.9	Very high	95.9	Very high	41 Å²	41	45.2 Å²	45.2	19%	0.192	26%	0.259	C	S	.	.	H	α-helix	trans	-67.2	-40	176.7	-71.9	169.6	120.6	0	0	112	L354 S355 L360 D361 V362 K416	L354-E358 HydrophobicContact CB-CB 3.99Å; S355-E358 PolarHBondContact N-OE2 3.31Å; S355-E358 PolarHBondContact O-N 3.48Å; S355-E358 VanDerWaalsContact O-N 3.07Å; S355-E358 VanDerWaalsContact OG-CG 3.27Å; S355-E358 WeakPolarHBondContact OG-CG 3.39Å; S355-E358 PolarHBondContact OG-N 3.4Å; S355-E358 PolarHBondContact OG-OE2 3.31Å; E358-L360 VanDerWaalsContact C-N 3.29Å; E358-L360 PolarHBondContact O-N 2.98Å; E358-D361 PolarHBondContact O-N 3.44Å; E358-V362 WeakPolarHBondContact O-CG2 3.49Å; E358-V362 PolarHBondContact O-N 3.5Å; E358-V362 VanDerWaalsContact O-N 3.09Å; E358-K416 IonicContact OE1-NZ 2.89Å; E358-K416 PolarHBondContact OE1-NZ 2.9Å; E358-K416 IonicContact OE2-NZ 3.01Å; E358-K416 PolarHBondContact OE2-NZ 3.29Å
359	L	96.6	Very high	95.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61.2	-41.1	171.9	-70.9	171.8	0	0	0	111.1	L319 L324 I346 L354 S355 D361 V362 V363	L319-L359 HydrophobicContact CD2-CD2 4.41Å; L324-L359 HydrophobicContact CB-CD2 3.97Å; L324-L359 HydrophobicContact CD1-CD2 4.41Å; I346-L359 HydrophobicContact CD1-CB 4.12Å; I346-L359 HydrophobicContact CG2-CB 4.22Å; I346-L359 HydrophobicContact CG2-CD1 4.11Å; L354-L359 HydrophobicContact CB-CD2 4.32Å; L354-L359 HydrophobicContact CB-CG 4.14Å; L354-L359 HydrophobicContact CD1-CD2 3.95Å; S355-L359 PolarHBondContact O-N 3.42Å; L359-D361 VanDerWaalsContact C-N 3.33Å; L359-D361 PolarHBondContact O-N 3.36Å; L359-V362 WeakPolarHBondContact O-CB 3.47Å; L359-V362 PolarHBondContact O-N 3Å; L359-V363 WeakPolarHBondContact O-CG2 3.4Å; L359-V363 PolarHBondContact O-N 3.49Å
360	L	96.3	Very high	95.6	Very high	35 Å²	35	45.7 Å²	45.7	18%	0.183	26%	0.261	C	S	.	.	H	α-helix	trans	-62.5	-40.7	178.1	-178.1	63.8	0	0	0	111.7	L344 I346 E356 A357 E358 V363 K364	L344-L360 HydrophobicContact CB-CD1 4.2Å; L344-L360 HydrophobicContact CD2-CD1 3.45Å; L344-L360 VanDerWaalsContact CD2-CD1 3.45Å; L344-L360 HydrophobicContact CG-CD1 3.58Å; I346-L360 HydrophobicContact CD1-CB 4.24Å; I346-L360 HydrophobicContact CD1-CD1 4.28Å; I346-L360 HydrophobicContact CG1-CD1 4.4Å; E356-L360 VanDerWaalsContact O-CB 3.26Å; E356-L360 WeakPolarHBondContact O-CB 3.38Å; E356-L360 PolarHBondContact O-N 2.98Å; A357-L360 WeakPolarHBondContact O-CB 3.28Å; A357-L360 PolarHBondContact O-N 3.06Å; E358-L360 VanDerWaalsContact C-N 3.29Å; E358-L360 PolarHBondContact O-N 2.98Å; L360-V363 PolarHBondContact O-N 3.01Å; L360-K364 HydrophobicContact CD1-CG 4.46Å; L360-K364 HydrophobicContact CG-CD 4.22Å; L360-K364 WeakPolarHBondContact O-CB 3.49Å; L360-K364 WeakPolarHBondContact O-CG 3.29Å; L360-K364 PolarHBondContact O-N 3.47Å
361	D	94.3	Very high	95.3	Very high	91 Å²	91	43 Å²	43	49%	0.487	23%	0.234	S	C	.	.	H	α-helix	trans	-64.9	-40.1	175.7	-72.5	-19.6	0	0	0	112	A357 E358 L359 V363 K364 S365	A357-D361 PolarHBondContact O-N 3.39Å; E358-D361 PolarHBondContact O-N 3.44Å; L359-D361 VanDerWaalsContact C-N 3.33Å; L359-D361 PolarHBondContact O-N 3.36Å; D361-V363 VanDerWaalsContact C-N 3.34Å; D361-V363 PolarHBondContact O-N 2.55Å; D361-K364 PolarHBondContact O-N 3.28Å; D361-S365 WeakPolarHBondContact O-CB 3.45Å; D361-S365 PolarHBondContact O-N 2.84Å; D361-S365 PolarHBondContact O-OG 2.98Å
362	V	96.2	Very high	94.9	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.006	23%	0.233	C	C	.	.	H	α-helix	trans	-58.9	-46.6	171.8	173.4	0	0	0	0	110.2	L319 L324 E358 L359 S365 N366 L407	L319-V362 HydrophobicContact CD2-CG1 4.4Å; L324-V362 HydrophobicContact CD1-CG1 4Å; E358-V362 WeakPolarHBondContact O-CG2 3.49Å; E358-V362 PolarHBondContact O-N 3.5Å; E358-V362 VanDerWaalsContact O-N 3.09Å; L359-V362 WeakPolarHBondContact O-CB 3.47Å; L359-V362 PolarHBondContact O-N 3Å; V362-S365 PolarHBondContact O-N 3.02Å; V362-N366 WeakPolarHBondContact O-CB 3.4Å; V362-N366 PolarHBondContact O-N 3.02Å; V362-N366 PolarHBondContact O-ND2 2.53Å; V362-L407 HydrophobicContact CG1-CD1 4.12Å
363	V	97.3	Very high	94.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.6	-49.6	179.5	174.3	0	0	0	0	111.4	I315 L319 L344 I346 L359 L360 D361 S365 N366 F367	I315-V363 HydrophobicContact CD1-CG1 3.87Å; I315-V363 HydrophobicContact CG1-CG1 4.18Å; I315-V363 HydrophobicContact CG2-CB 4.4Å; I315-V363 HydrophobicContact CG2-CG1 3.88Å; I315-V363 HydrophobicContact CG2-CG2 3.52Å; L319-V363 HydrophobicContact CD1-CG2 4.03Å; L319-V363 HydrophobicContact CD2-CG2 4.1Å; L319-V363 HydrophobicContact CG-CG2 4.43Å; L344-V363 HydrophobicContact CD2-CG1 3.84Å; I346-V363 HydrophobicContact CD1-CB 4.17Å; I346-V363 HydrophobicContact CD1-CG2 3.56Å; L359-V363 WeakPolarHBondContact O-CG2 3.4Å; L359-V363 PolarHBondContact O-N 3.49Å; L360-V363 PolarHBondContact O-N 3.01Å; D361-V363 VanDerWaalsContact C-N 3.34Å; D361-V363 PolarHBondContact O-N 2.55Å; V363-S365 PolarHBondContact O-N 2.91Å; V363-N366 PolarHBondContact O-N 2.72Å; V363-F367 HydrophobicContact CB-CD2 4.45Å; V363-F367 HydrophobicContact CG1-CD2 3.95Å; V363-F367 WeakPolarHBondContact O-CD2 3.03Å; V363-F367 PolarHBondContact O-N 2.93Å
364	K	95	Very high	94.9	Very high	132 Å²	132	37.6 Å²	37.6	57%	0.574	21%	0.208	S	C	*	.	H	α-helix	trans	-60.3	-31.9	179.5	-74.6	176.2	177.3	173.7	0	113.1	L344 L360 D361 N366	L344-K364 HydrophobicContact CD2-CG 4.4Å; L360-K364 HydrophobicContact CD1-CG 4.46Å; L360-K364 HydrophobicContact CG-CD 4.22Å; L360-K364 WeakPolarHBondContact O-CB 3.49Å; L360-K364 WeakPolarHBondContact O-CG 3.29Å; L360-K364 PolarHBondContact O-N 3.47Å; D361-K364 PolarHBondContact O-N 3.28Å; K364-N366 VanDerWaalsContact C-N 3.31Å
365	S	94.8	Very high	95	Very high	81 Å²	81	37.5 Å²	37.5	57%	0.566	21%	0.207	S	C	*	.	H	α-helix	trans	-76.1	-18.7	177.9	-57	0	0	0	0	113.5	D361 V362 V363	D361-S365 WeakPolarHBondContact O-CB 3.45Å; D361-S365 PolarHBondContact O-N 2.84Å; D361-S365 PolarHBondContact O-OG 2.98Å; V362-S365 PolarHBondContact O-N 3.02Å; V363-S365 PolarHBondContact O-N 2.91Å
366	N	97.5	Very high	95	Very high	14 Å²	14	39.7 Å²	39.7	8%	0.075	22%	0.215	C	C	.	.	H	α-helix	trans	-114.2	-22.5	-171.6	-78.1	-80.5	0	0	0	114.4	V362 V363 K364 K405 L407 I408	V362-N366 WeakPolarHBondContact O-CB 3.4Å; V362-N366 PolarHBondContact O-N 3.02Å; V362-N366 PolarHBondContact O-ND2 2.53Å; V363-N366 PolarHBondContact O-N 2.72Å; K364-N366 VanDerWaalsContact C-N 3.31Å; N366-K405 WeakPolarHBondContact O-CE 3.37Å; N366-K405 PolarHBondContact O-NZ 3.01Å; N366-L407 HydrophobicContact CB-CD2 4Å; N366-I408 PolarHBondContact ND2-O 2.93Å; N366-I408 PolarHBondContact OD1-N 3.26Å
367	F	97.7	Very high	95	Very high	14 Å²	14	39.6 Å²	39.6	6%	0.061	22%	0.215	C	C	.	.			trans	-126.6	124.6	-171.2	-62	-87.5	0	0	0	112	W314 I315 V363 L369 K405 L407	W314-F367 HydrophobicContact CD2-CD1 4.17Å; W314-F367 AromaticContact CD2-CE1 3.64Å; W314-F367 HydrophobicContact CD2-CE1 3.64Å; W314-F367 AromaticContact CE2-CE1 3.92Å; W314-F367 AromaticContact CE3-CD1 3.57Å; W314-F367 HydrophobicContact CE3-CD1 3.57Å; W314-F367 AromaticContact CE3-CE1 3.55Å; W314-F367 HydrophobicContact CE3-CE1 3.55Å; W314-F367 HydrophobicContact CG-CE1 4.32Å; W314-F367 HydrophobicContact CH2-CD1 4.11Å; W314-F367 HydrophobicContact CH2-CE1 4.07Å; W314-F367 HydrophobicContact CZ2-CE1 4.14Å; W314-F367 AromaticContact CZ3-CD1 3.54Å; W314-F367 HydrophobicContact CZ3-CD1 3.54Å; W314-F367 AromaticContact CZ3-CE1 3.78Å; W314-F367 HydrophobicContact CZ3-CE1 3.78Å; I315-F367 HydrophobicContact CD1-CG 4.44Å; I315-F367 HydrophobicContact CG1-CB 4.41Å; I315-F367 HydrophobicContact CG1-CD1 3.86Å; I315-F367 HydrophobicContact CG1-CD2 3.87Å; I315-F367 HydrophobicContact CG1-CE1 4.01Å; I315-F367 HydrophobicContact CG1-CE2 4.02Å; I315-F367 HydrophobicContact CG1-CG 3.78Å; I315-F367 HydrophobicContact CG1-CZ 4.08Å; I315-F367 HydrophobicContact CG2-CE2 4.44Å; V363-F367 HydrophobicContact CB-CD2 4.45Å; V363-F367 HydrophobicContact CG1-CD2 3.95Å; V363-F367 WeakPolarHBondContact O-CD2 3.03Å; V363-F367 PolarHBondContact O-N 2.93Å; F367-L369 HydrophobicContact CB-CD2 4Å; F367-L369 HydrophobicContact CB-CG 4.38Å; F367-K405 HydrophobicContact CD1-CD 4.06Å; F367-K405 HydrophobicContact CE1-CB 3.97Å; F367-K405 HydrophobicContact CE1-CD 3.62Å; F367-K405 HydrophobicContact CE1-CG 4.43Å; F367-K405 HydrophobicContact CZ-CB 3.94Å; F367-K405 HydrophobicContact CZ-CD 4Å; F367-L407 HydrophobicContact CE2-CD2 3.51Å; F367-L407 HydrophobicContact CZ-CD2 3.67Å
368	N	96	Very high	95.1	Very high	60 Å²	60	37 Å²	37	32%	0.321	19%	0.192	S	C	.	.			trans	-90.7	103	170.8	-168.8	-25.2	0	0	0	109.6	R370 A373	N368-R370 VanDerWaalsContact C-N 3.26Å; N368-R370 PolarHBondContact ND2-NE 3.39Å; N368-R370 PolarHBondContact ND2-NH2 2.9Å; N368-R370 VanDerWaalsContact ND2-NH2 3.14Å; N368-R370 PolarHBondContact O-N 3.45Å; N368-R370 WeakPolarHBondContact OD1-CB 3.42Å; N368-R370 WeakPolarHBondContact OD1-CG 3.43Å; N368-R370 PolarHBondContact OD1-N 3.05Å; N368-R370 PolarHBondContact OD1-NE 2.79Å; N368-A373 HydrophobicContact CB-CB 3.73Å; N368-A373 WeakPolarHBondContact O-CB 3.41Å; N368-A373 WeakPolarHBondContact OD1-CB 3.4Å
369	L	95.9	Very high	95.2	Very high	17 Å²	17	39 Å²	39	9%	0.089	21%	0.205	C	C	.	.			trans	-88.9	17.9	-174	-56.8	179.4	0	0	0	113.7	A311 I315 I332 Y334 P341 L344 F367 I374	A311-L369 HydrophobicContact CB-CD2 4.36Å; I315-L369 HydrophobicContact CD1-CD1 4.16Å; I315-L369 HydrophobicContact CD1-CD2 3.81Å; I332-L369 HydrophobicContact CD1-CD1 4.16Å; I332-L369 HydrophobicContact CD1-CD2 4.37Å; Y334-L369 PolarHBondContact OH-O 3.28Å; P341-L369 HydrophobicContact CG-CB 3.66Å; P341-L369 HydrophobicContact CG-CD1 4.41Å; L344-L369 HydrophobicContact CD1-CD1 3.99Å; L344-L369 HydrophobicContact CD2-CD1 3.84Å; L344-L369 HydrophobicContact CG-CD1 4.45Å; F367-L369 HydrophobicContact CB-CD2 4Å; F367-L369 HydrophobicContact CB-CG 4.38Å; L369-I374 HydrophobicContact CD2-CD1 4.46Å
370	R	93.2	Very high	95.3	Very high	74 Å²	74	39.1 Å²	39.1	28%	0.279	21%	0.205	S	C	.	.	S	Bend	trans	-71.5	139.7	167.6	-62.8	179.1	-61.2	159.8	10.1	109	E141 V339 D340 N368 G372 A373 I374	E141-R370 IonicContact OE2-NH2 3.71Å; V339-R370 HydrophobicContact CG1-CB 4.2Å; V339-R370 HydrophobicContact CG1-CG 3.9Å; V339-R370 WeakPolarHBondContact O-CA 3.35Å; D340-R370 WeakPolarHBondContact OD1-CD 3.23Å; D340-R370 WeakPolarHBondContact OD1-CG 3.49Å; N368-R370 VanDerWaalsContact C-N 3.26Å; N368-R370 PolarHBondContact ND2-NE 3.39Å; N368-R370 PolarHBondContact ND2-NH2 2.9Å; N368-R370 VanDerWaalsContact ND2-NH2 3.14Å; N368-R370 PolarHBondContact O-N 3.45Å; N368-R370 WeakPolarHBondContact OD1-CB 3.42Å; N368-R370 WeakPolarHBondContact OD1-CG 3.43Å; N368-R370 PolarHBondContact OD1-N 3.05Å; N368-R370 PolarHBondContact OD1-NE 2.79Å; R370-G372 VanDerWaalsContact C-N 3.31Å; R370-G372 PolarHBondContact O-N 2.82Å; R370-A373 HydrophobicContact CB-CB 4.27Å; R370-A373 WeakPolarHBondContact O-CA 3.34Å; R370-A373 WeakPolarHBondContact O-CB 3.25Å; R370-A373 PolarHBondContact O-N 2.95Å; R370-I374 PolarHBondContact O-N 3.13Å
371	A	89.2	Confident	95.2	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.008	20%	0.203	C	C	.	.	H	α-helix	trans	-49.8	-48.5	-175.3	0	0	0	0	0	113.3	V144 M304 A373 I374 I375	V144-A371 HydrophobicContact CB-CB 4.07Å; V144-A371 HydrophobicContact CG1-CB 3.77Å; M304-A371 HydrophobicContact CE-CB 3.84Å; M304-A371 HydrophobicContact SD-CB 3.39Å; M304-A371 WeakPolarHBondContact SD-CB 3.48Å; A371-A373 VanDerWaalsContact C-N 3.32Å; A371-A373 PolarHBondContact O-N 2.9Å; A371-I374 PolarHBondContact O-N 3.35Å; A371-I375 VanDerWaalsContact O-CG1 3.27Å; A371-I375 WeakPolarHBondContact O-CG1 3.41Å; A371-I375 PolarHBondContact O-N 3.28Å
372	G	89.6	Confident	95.3	Very high	11 Å²	11	39.3 Å²	39.3	11%	0.113	20%	0.196	C	C	.	.	H	α-helix	trans	-64.5	-34.1	178	0	0	0	0	0	113.6	R370 N376	R370-G372 VanDerWaalsContact C-N 3.31Å; R370-G372 PolarHBondContact O-N 2.82Å; G372-N376 WeakPolarHBondContact O-CB 3.49Å; G372-N376 PolarHBondContact O-N 2.88Å; G372-N376 VanDerWaalsContact O-N 3.12Å; G372-N376 PolarHBondContact O-ND2 3.42Å
373	A	93.7	Very high	95.4	Very high	15 Å²	15	42.2 Å²	42.2	12%	0.124	22%	0.215	C	C	.	.	H	α-helix	trans	-69.6	-43.5	176.8	0	0	0	0	0	111.2	N368 R370 A371 I375 N376 E377	N368-A373 HydrophobicContact CB-CB 3.73Å; N368-A373 WeakPolarHBondContact O-CB 3.41Å; N368-A373 WeakPolarHBondContact OD1-CB 3.4Å; R370-A373 HydrophobicContact CB-CB 4.27Å; R370-A373 WeakPolarHBondContact O-CA 3.34Å; R370-A373 WeakPolarHBondContact O-CB 3.25Å; R370-A373 PolarHBondContact O-N 2.95Å; A371-A373 VanDerWaalsContact C-N 3.32Å; A371-A373 PolarHBondContact O-N 2.9Å; A373-I375 PolarHBondContact O-N 3.36Å; A373-N376 PolarHBondContact O-N 2.85Å; A373-E377 WeakPolarHBondContact O-CB 3.2Å; A373-E377 WeakPolarHBondContact O-CG 3.45Å; A373-E377 PolarHBondContact O-N 2.8Å
374	I	95.6	Very high	95.5	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-57.3	-49.4	174.5	-65.5	168.5	0	0	0	110.7	M304 S307 A311 L369 R370 A371 N376 E377 L378 L380	M304-I374 HydrophobicContact CE-CD1 4.26Å; S307-I374 WeakPolarHBondContact O-CG2 3.44Å; A311-I374 HydrophobicContact CB-CD1 3.8Å; A311-I374 HydrophobicContact CB-CG1 4.02Å; A311-I374 HydrophobicContact CB-CG2 3.92Å; L369-I374 HydrophobicContact CD2-CD1 4.46Å; R370-I374 PolarHBondContact O-N 3.13Å; A371-I374 PolarHBondContact O-N 3.35Å; I374-N376 VanDerWaalsContact C-N 3.27Å; I374-N376 PolarHBondContact O-N 2.83Å; I374-E377 PolarHBondContact O-N 2.93Å; I374-L378 HydrophobicContact CG2-CD1 3.93Å; I374-L378 WeakPolarHBondContact O-CB 3.36Å; I374-L378 PolarHBondContact O-N 3.3Å; I374-L380 HydrophobicContact CG2-CD1 4.39Å
375	I	94.8	Very high	95.6	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.015	19%	0.194	C	C	.	.	H	α-helix	trans	-58.2	-41.5	-179.9	-68.6	167.6	0	0	0	111.4	V144 P301 A371 A373 N379 L380 R381	V144-I375 HydrophobicContact CG1-CD1 4.36Å; P301-I375 HydrophobicContact CB-CD1 4.15Å; P301-I375 HydrophobicContact CB-CG1 3.84Å; P301-I375 HydrophobicContact CB-CG2 4.4Å; P301-I375 WeakPolarHBondContact O-CD1 3.34Å; A371-I375 VanDerWaalsContact O-CG1 3.27Å; A371-I375 WeakPolarHBondContact O-CG1 3.41Å; A371-I375 PolarHBondContact O-N 3.28Å; A373-I375 PolarHBondContact O-N 3.36Å; I375-N379 WeakPolarHBondContact O-CA 3.36Å; I375-N379 PolarHBondContact O-N 3.27Å; I375-N379 VanDerWaalsContact O-N 3.1Å; I375-L380 HydrophobicContact CG2-CB 4.33Å; I375-L380 PolarHBondContact O-N 2.74Å; I375-R381 HydrophobicContact CG2-CG 3.77Å
376	N	94.9	Very high	95.7	Very high	95 Å²	95	36.6 Å²	36.6	51%	0.508	18%	0.18	S	C	.	.	H	α-helix	trans	-74.2	-48.8	-179.6	-69.9	-17.3	0	0	0	112	G372 A373 I374 L378 N379	G372-N376 WeakPolarHBondContact O-CB 3.49Å; G372-N376 PolarHBondContact O-N 2.88Å; G372-N376 VanDerWaalsContact O-N 3.12Å; G372-N376 PolarHBondContact O-ND2 3.42Å; A373-N376 PolarHBondContact O-N 2.85Å; I374-N376 VanDerWaalsContact C-N 3.27Å; I374-N376 PolarHBondContact O-N 2.83Å; N376-L378 VanDerWaalsContact C-N 3.32Å; N376-L378 PolarHBondContact O-N 2.6Å; N376-N379 PolarHBondContact O-N 3Å; N376-N379 VanDerWaalsContact O-N 3.11Å
377	E	96.4	Very high	95.7	Very high	83 Å²	83	38.7 Å²	38.7	39%	0.388	20%	0.195	S	C	.	.	H	α-helix	trans	-62.8	-38.1	-178.4	-75.5	-168.2	-123.5	0	0	112	W314 A373 I374 K405	W314-E377 HydrophobicContact CH2-CB 4.22Å; W314-E377 WeakPolarHBondContact CH2-OE2 3.44Å; W314-E377 HydrophobicContact CZ3-CB 4.36Å; A373-E377 WeakPolarHBondContact O-CB 3.2Å; A373-E377 WeakPolarHBondContact O-CG 3.45Å; A373-E377 PolarHBondContact O-N 2.8Å; I374-E377 PolarHBondContact O-N 2.93Å; E377-K405 IonicContact OE2-NZ 3.44Å; E377-K405 PolarHBondContact OE2-NZ 3.21Å
378	L	97.7	Very high	95.6	Very high	4 Å²	4	38 Å²	38	2%	0.021	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	0.6	177.1	-63.2	179	0	0	0	113.3	W314 I374 N376 L380 P400 W401	W314-L378 HydrophobicContact CD2-CD2 3.82Å; W314-L378 HydrophobicContact CE3-CD2 3.87Å; W314-L378 HydrophobicContact CE3-CG 4.37Å; W314-L378 HydrophobicContact CG-CD2 4.24Å; W314-L378 HydrophobicContact CH2-CD2 4.42Å; W314-L378 HydrophobicContact CZ2-CD2 4.39Å; W314-L378 HydrophobicContact CZ3-CD2 4.17Å; I374-L378 HydrophobicContact CG2-CD1 3.93Å; I374-L378 WeakPolarHBondContact O-CB 3.36Å; I374-L378 PolarHBondContact O-N 3.3Å; N376-L378 VanDerWaalsContact C-N 3.32Å; N376-L378 PolarHBondContact O-N 2.6Å; L378-L380 HydrophobicContact CB-CD1 4.19Å; L378-L380 HydrophobicContact CB-CD2 3.71Å; L378-L380 HydrophobicContact CB-CG 3.69Å; L378-L380 HydrophobicContact CD1-CD1 4.41Å; L378-L380 PolarHBondContact O-N 2.55Å; L378-P400 HydrophobicContact CB-CB 4.24Å; L378-P400 HydrophobicContact CD2-CB 4.27Å; L378-P400 WeakPolarHBondContact O-CB 3.4Å; L378-P400 WeakPolarHBondContact O-CG 3.45Å; L378-W401 HydrophobicContact CD1-CB 4.23Å; L378-W401 HydrophobicContact CD2-CB 4.31Å
379	N	96.9	Very high	95.6	Very high	85 Å²	85	35.2 Å²	35.2	46%	0.455	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	55.4	-179.8	-169.8	12.8	0	0	0	113.1	I375 N376 R382	I375-N379 WeakPolarHBondContact O-CA 3.36Å; I375-N379 PolarHBondContact O-N 3.27Å; I375-N379 VanDerWaalsContact O-N 3.1Å; N376-N379 PolarHBondContact O-N 3Å; N376-N379 VanDerWaalsContact O-N 3.11Å; N379-R382 PolarHBondContact ND2-NE 2.84Å; N379-R382 PolarHBondContact O-NE 3.1Å; N379-R382 PolarHBondContact O-NH2 2.91Å; N379-R382 PolarHBondContact OD1-NE 3.27Å
380	L	97.7	Very high	95.6	Very high	1 Å²	1	36 Å²	36	1%	0.005	18%	0.181	C	C	.	.			trans	-83.4	-12.3	-169.2	-65.6	-175.1	0	0	0	114.1	P301 Y310 I374 I375 L378 R382 Y385 W401	P301-L380 HydrophobicContact CB-CB 3.68Å; P301-L380 HydrophobicContact CB-CD1 4.2Å; P301-L380 HydrophobicContact CG-CB 3.78Å; P301-L380 VanDerWaalsContact CG-O 3.24Å; P301-L380 WeakPolarHBondContact CG-O 3.41Å; Y310-L380 HydrophobicContact CD2-CD2 4.4Å; I374-L380 HydrophobicContact CG2-CD1 4.39Å; I375-L380 HydrophobicContact CG2-CB 4.33Å; I375-L380 PolarHBondContact O-N 2.74Å; L378-L380 HydrophobicContact CB-CD1 4.19Å; L378-L380 HydrophobicContact CB-CD2 3.71Å; L378-L380 HydrophobicContact CB-CG 3.69Å; L378-L380 HydrophobicContact CD1-CD1 4.41Å; L378-L380 PolarHBondContact O-N 2.55Å; L380-R382 PolarHBondContact O-N 2.78Å; L380-Y385 WeakPolarHBondContact CA-OH 3.35Å; L380-Y385 VanDerWaalsContact CB-OH 3.28Å; L380-Y385 WeakPolarHBondContact CB-OH 3.45Å; L380-Y385 WeakPolarHBondContact O-CE2 3.36Å; L380-Y385 PolarHBondContact O-OH 3.16Å; L380-W401 HydrophobicContact CD2-CE3 4.07Å; L380-W401 HydrophobicContact CD2-CZ3 3.85Å
381	R	95.6	Very high	95.7	Very high	40 Å²	40	33.4 Å²	33.4	15%	0.151	17%	0.172	C	C	.	.	S	Bend	trans	-82.6	55.1	179.4	-71.2	-178.4	173.7	147.2	-12.1	112	P65 E134 I375	P65-R381 HydrophobicContact CB-CB 4.15Å; P65-R381 WeakPolarHBondContact O-CB 3.44Å; P65-R381 WeakPolarHBondContact O-CD 3.35Å; P65-R381 VanDerWaalsContact O-CG 3.23Å; P65-R381 WeakPolarHBondContact O-CG 3.47Å; E134-R381 VanDerWaalsContact CD-NH2 3.31Å; E134-R381 IonicContact OE1-NH2 3.41Å; E134-R381 PolarHBondContact OE1-NH2 2.98Å; E134-R381 IonicContact OE2-CZ 2.74Å; E134-R381 IonicContact OE2-NH2 3.7Å; E134-R381 PolarHBondContact OE2-NH2 3.19Å; I375-R381 HydrophobicContact CG2-CG 3.77Å
382	R	96.8	Very high	96.1	Very high	91 Å²	91	33.3 Å²	33.3	34%	0.343	17%	0.172	S	C	.	.	S	Bend	trans	-145.6	154.6	-177.6	-66.6	-175.6	-61.4	131.9	1.4	110.6	N379 L380 I384 Y385	N379-R382 PolarHBondContact ND2-NE 2.84Å; N379-R382 PolarHBondContact O-NE 3.1Å; N379-R382 PolarHBondContact O-NH2 2.91Å; N379-R382 PolarHBondContact OD1-NE 3.27Å; L380-R382 PolarHBondContact O-N 2.78Å; R382-I384 VanDerWaalsContact C-N 3.35Å; R382-I384 HydrophobicContact CB-CG2 4.09Å; R382-I384 PolarHBondContact O-N 3.18Å; R382-Y385 WeakPolarHBondContact O-CE2 3.47Å
383	P	97.8	Very high	96.5	Very high	61 Å²	61	32.8 Å²	32.8	40%	0.396	17%	0.166	S	C	.	.	S	Bend	trans	-75.6	82.2	178.8	32.1	-37	0	0	0	111.5	D58 T62	D58-P383 HydrophobicContact CB-CB 3.79Å; D58-P383 WeakPolarHBondContact O-CB 3.31Å; D58-P383 VanDerWaalsContact OD1-C 3.24Å; D58-P383 VanDerWaalsContact OD1-CA 3.22Å; D58-P383 WeakPolarHBondContact OD1-CA 3.35Å; T62-P383 WeakPolarHBondContact OG1-CB 3.38Å; T62-P383 WeakPolarHBondContact OG1-CG 3.27Å
384	I	98.1	Very high	96.7	Very high	28 Å²	28	32.3 Å²	32.3	14%	0.144	16%	0.161	C	C	.	.			trans	-127.8	7.5	-176.3	64.7	169.2	0	0	0	113.1	D58 R382 S387 P400 W401	D58-I384 PolarHBondContact OD1-N 3.49Å; R382-I384 VanDerWaalsContact C-N 3.35Å; R382-I384 HydrophobicContact CB-CG2 4.09Å; R382-I384 PolarHBondContact O-N 3.18Å; I384-S387 PolarHBondContact O-OG 3.03Å; I384-P400 HydrophobicContact CD1-CG 4.11Å; I384-W401 HydrophobicContact CD1-CZ3 4.24Å
385	Y	98.5	Very high	96.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.166	C	C	.	.			trans	-94.1	-31.6	-163.2	-64.8	-71	0	0	0	114.1	L57 D58 L61 P301 Y310 L380 R382 S387 T388	L57-Y385 HydrophobicContact CD2-CD1 4.39Å; L57-Y385 HydrophobicContact CD2-CD2 3.5Å; L57-Y385 VanDerWaalsContact CD2-CD2 3.5Å; L57-Y385 HydrophobicContact CD2-CE2 4.19Å; L57-Y385 HydrophobicContact CD2-CG 3.63Å; L57-Y385 HydrophobicContact CG-CD2 4Å; D58-Y385 WeakPolarHBondContact OD1-CB 3.37Å; D58-Y385 WeakPolarHBondContact OD1-CD2 3.5Å; D58-Y385 PolarHBondContact OD1-N 2.93Å; D58-Y385 PolarHBondContact OD2-N 2.76Å; L61-Y385 HydrophobicContact CD1-CD2 3.64Å; L61-Y385 HydrophobicContact CD1-CE2 3.31Å; P301-Y385 HydrophobicContact CG-CE2 4.37Å; P301-Y385 VanDerWaalsContact CG-OH 3.29Å; P301-Y385 WeakPolarHBondContact CG-OH 3.14Å; Y310-Y385 HydrophobicContact CE2-CE1 4.11Å; L380-Y385 WeakPolarHBondContact CA-OH 3.35Å; L380-Y385 VanDerWaalsContact CB-OH 3.28Å; L380-Y385 WeakPolarHBondContact CB-OH 3.45Å; L380-Y385 WeakPolarHBondContact O-CE2 3.36Å; L380-Y385 PolarHBondContact O-OH 3.16Å; R382-Y385 WeakPolarHBondContact O-CE2 3.47Å; Y385-S387 PolarHBondContact O-N 3.05Å; Y385-T388 WeakPolarHBondContact O-CA 3.47Å; Y385-T388 WeakPolarHBondContact O-CB 3.26Å; Y385-T388 PolarHBondContact O-N 3.4Å; Y385-T388 PolarHBondContact O-OG1 3.19Å
386	R	96.8	Very high	96.9	Very high	68 Å²	68	35.3 Å²	35.3	26%	0.257	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-56.3	-38	-179.2	-178.4	-174.3	177.1	178.3	7.6	112.6	I51 A55 D58 R104 T388 S389	I51-R386 HydrophobicContact CG2-CG 3.95Å; A55-R386 HydrophobicContact CB-CG 4.32Å; D58-R386 WeakPolarHBondContact OD2-CB 3.38Å; D58-R386 PolarHBondContact OD2-N 3.44Å; R104-R386 VanDerWaalsContact NH1-CZ 3.31Å; R104-R386 VanDerWaalsContact NH1-NH2 3.18Å; R386-T388 VanDerWaalsContact C-N 3.25Å; R386-T388 PolarHBondContact O-N 3.42Å; R386-S389 PolarHBondContact O-N 2.99Å; R386-S389 PolarHBondContact O-OG 3.44Å
387	S	95.9	Very high	96.9	Very high	58 Å²	58	35.1 Å²	35.1	41%	0.406	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-68.3	-23.4	176.4	46.8	0	0	0	0	113.2	I384 Y385 S389 E390 F399	I384-S387 PolarHBondContact O-OG 3.03Å; Y385-S387 PolarHBondContact O-N 3.05Å; S387-S389 VanDerWaalsContact C-N 3.28Å; S387-S389 PolarHBondContact O-N 3.24Å; S387-E390 PolarHBondContact O-N 3.49Å; S387-F399 WeakPolarHBondContact OG-CE1 3.4Å
388	T	97.6	Very high	96.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-71.9	-26	179.3	70.6	0	0	0	0	112.4	Y385 R386 E390 G392 H393 F399 W401	Y385-T388 WeakPolarHBondContact O-CA 3.47Å; Y385-T388 WeakPolarHBondContact O-CB 3.26Å; Y385-T388 PolarHBondContact O-N 3.4Å; Y385-T388 PolarHBondContact O-OG1 3.19Å; R386-T388 VanDerWaalsContact C-N 3.25Å; R386-T388 PolarHBondContact O-N 3.42Å; T388-E390 PolarHBondContact O-N 3.06Å; T388-G392 CarbonylContact O-C 3.56Å; T388-H393 WeakPolarHBondContact CB-ND1 3.46Å; T388-H393 PolarHBondContact O-CD2 2.97Å; T388-H393 PolarHBondContact O-NE2 3.31Å; T388-H393 PolarHBondContact OG1-CE1 2.93Å; T388-H393 PolarHBondContact OG1-ND1 2.82Å; T388-F399 HydrophobicContact CG2-CD1 4.18Å; T388-F399 HydrophobicContact CG2-CE1 3.68Å; T388-F399 HydrophobicContact CG2-CE2 4.12Å; T388-F399 HydrophobicContact CG2-CZ 3.66Å; T388-W401 HydrophobicContact CG2-CH2 3.75Å; T388-W401 HydrophobicContact CG2-CZ2 3.83Å
389	S	94.5	Very high	96.8	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.007	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-77.5	-0.6	178.8	-22.3	0	0	0	0	113.2	D54 R386 S387	D54-S389 WeakPolarHBondContact CB-OG 3.29Å; D54-S389 PolarHBondContact OD2-OG 3.32Å; R386-S389 PolarHBondContact O-N 2.99Å; R386-S389 PolarHBondContact O-OG 3.44Å; S387-S389 VanDerWaalsContact C-N 3.28Å; S387-S389 PolarHBondContact O-N 3.24Å
390	E	95.5	Very high	96.8	Very high	33 Å²	33	36 Å²	36	15%	0.154	18%	0.182	C	C	.	.	S	Bend	trans	-112	112.3	-177.8	-56.3	-171.9	-152.6	0	0	110.9	V42 I51 R104 S387 T388 G392	V42-E390 HydrophobicContact CG1-CB 4.05Å; V42-E390 HydrophobicContact CG1-CG 3.72Å; I51-E390 HydrophobicContact CD1-CG 4.17Å; I51-E390 HydrophobicContact CG1-CG 4.21Å; R104-E390 IonicContact CZ-OE1 3.3Å; R104-E390 IonicContact NH1-OE1 2.65Å; R104-E390 PolarHBondContact NH1-OE1 3.31Å; R104-E390 VanDerWaalsContact NH2-CD 3.28Å; R104-E390 IonicContact NH2-OE1 2.6Å; R104-E390 PolarHBondContact NH2-OE1 3.5Å; R104-E390 IonicContact NH2-OE2 2.98Å; R104-E390 PolarHBondContact NH2-OE2 3.5Å; S387-E390 PolarHBondContact O-N 3.49Å; T388-E390 PolarHBondContact O-N 3.06Å; E390-G392 VanDerWaalsContact C-N 3.31Å; E390-G392 PolarHBondContact O-N 2.95Å
391	N	95.5	Very high	96.9	Very high	19 Å²	19	35.9 Å²	35.9	10%	0.102	18%	0.182	C	C	.	.	S	Bend	trans	58.8	37.9	178.6	-49	-69.5	0	0	0	114	H172 T175 A176 H396	H172-N391 HydrophobicContact CB-CB 4.1Å; H172-N391 PolarHBondContact CD2-O 3.24Å; H172-N391 VanDerWaalsContact CD2-O 3.25Å; H172-N391 VanDerWaalsContact CE1-C 3.47Å; H172-N391 VanDerWaalsContact CG-O 3.28Å; H172-N391 PolarHBondContact ND1-O 3.3Å; H172-N391 PolarHBondContact NE2-O 2.88Å; H172-N391 PolarHBondContact O-OD1 3.48Å; T175-N391 PolarHBondContact OG1-OD1 3.36Å; A176-N391 PolarHBondContact N-OD1 2.9Å; N391-H396 PolarHBondContact O-NE2 2.81Å
392	G	97.3	Very high	97	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.175	C	C	.	.			trans	89.7	153.7	169.8	0	0	0	0	0	114.7	T388 E390 H396	T388-G392 CarbonylContact O-C 3.56Å; E390-G392 VanDerWaalsContact C-N 3.31Å; E390-G392 PolarHBondContact O-N 2.95Å; G392-H396 PolarHBondContact O-CD2 2.89Å; G392-H396 PolarHBondContact O-NE2 2.8Å
393	H	98.7	Very high	97.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-82.7	-13.3	-176.5	-71.9	-118.8	0	0	0	113.5	D283 F296 Y310 T388 W401	D283-H393 PolarHBondContact O-N 2.8Å; D283-H393 VanDerWaalsContact O-N 3.08Å; D283-H393 IonicContact OD1-CD2 3.93Å; D283-H393 PolarHBondContact OD1-CD2 2.96Å; D283-H393 IonicContact OD1-NE2 2.64Å; F296-H393 WeakPolarHBondContact CB-CE1 3.26Å; F296-H393 HydrophobicContact CD2-CB 4.26Å; F296-H393 AromaticContact CD2-CD2 3.64Å; F296-H393 AromaticContact CD2-CE1 3.63Å; F296-H393 AromaticContact CD2-CG 3.55Å; F296-H393 AromaticContact CD2-ND1 3.51Å; F296-H393 AromaticContact CD2-NE2 3.67Å; F296-H393 HydrophobicContact CE2-CB 4.36Å; F296-H393 AromaticContact CG-CE1 3.95Å; Y310-H393 HydrophobicContact CE1-CB 4.16Å; Y310-H393 AromaticContact CE1-ND1 3.65Å; Y310-H393 AromaticContact CZ-ND1 3.61Å; Y310-H393 PolarHBondContact OH-CE1 3.48Å; Y310-H393 PolarHBondContact OH-ND1 3.4Å; T388-H393 WeakPolarHBondContact CB-ND1 3.46Å; T388-H393 PolarHBondContact O-CD2 2.97Å; T388-H393 PolarHBondContact O-NE2 3.31Å; T388-H393 PolarHBondContact OG1-CE1 2.93Å; T388-H393 PolarHBondContact OG1-ND1 2.82Å; H393-W401 PolarHBondContact O-NE1 2.99Å
394	F	98.7	Very high	97.1	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.018	18%	0.177	C	C	.	.	S	Bend	trans	-124.3	155.8	-170.6	-52	-42.5	0	0	0	111.9	M164 T284 Y285 F296 Y310 R313 H396 W401 E402	M164-F394 HydrophobicContact CE-CB 3.84Å; M164-F394 HydrophobicContact SD-CB 3.83Å; T284-F394 HydrophobicContact CG2-CE2 3.78Å; Y285-F394 AromaticContact CD1-CD2 4Å; Y285-F394 HydrophobicContact CD1-CD2 4Å; Y285-F394 AromaticContact CE1-CD2 3.31Å; Y285-F394 HydrophobicContact CE1-CD2 3.31Å; Y285-F394 AromaticContact CE1-CE2 3.69Å; Y285-F394 HydrophobicContact CE1-CE2 3.69Å; Y285-F394 HydrophobicContact CE1-CG 4.18Å; Y285-F394 HydrophobicContact CE2-CD2 4.45Å; Y285-F394 HydrophobicContact CE2-CE2 4.04Å; Y285-F394 AromaticContact CZ-CD2 3.57Å; Y285-F394 AromaticContact CZ-CE2 3.38Å; Y285-F394 VanDerWaalsContact OH-CE2 3.22Å; Y285-F394 WeakPolarHBondContact OH-CE2 3.44Å; F296-F394 HydrophobicContact CE2-CZ 4.31Å; F296-F394 HydrophobicContact CZ-CZ 4.35Å; Y310-F394 AromaticContact CD1-CE1 3.73Å; Y310-F394 HydrophobicContact CD1-CE1 3.73Å; Y310-F394 HydrophobicContact CD1-CZ 4.26Å; Y310-F394 HydrophobicContact CE1-CE1 4.16Å; R313-F394 HydrophobicContact CB-CD1 3.95Å; R313-F394 HydrophobicContact CB-CE1 3.79Å; R313-F394 HydrophobicContact CB-CG 4.47Å; R313-F394 HydrophobicContact CB-CZ 4.16Å; R313-F394 HydrophobicContact CG-CB 4.37Å; R313-F394 HydrophobicContact CG-CD1 3.58Å; R313-F394 HydrophobicContact CG-CE1 3.97Å; R313-F394 HydrophobicContact CG-CG 3.95Å; F394-H396 PolarHBondContact O-CD2 3.02Å; F394-W401 AromaticContact CD1-CD1 3.83Å; F394-W401 AromaticContact CD1-NE1 3.6Å; F394-W401 AromaticContact CE1-NE1 3.97Å; F394-E402 VanDerWaalsContact CA-OE1 3.3Å; F394-E402 WeakPolarHBondContact CA-OE1 3.31Å; F394-E402 WeakPolarHBondContact CB-OE1 3.45Å
395	G	97.6	Very high	97	Very high	11 Å²	11	35 Å²	35	11%	0.113	18%	0.181	C	C	.	.	S	Bend	trans	85.3	7.2	-178.9	0	0	0	0	0	115.5	E402	G395-E402 PolarHBondContact N-OE1 2.9Å; G395-E402 PolarHBondContact N-OE2 2.65Å
396	H	95.9	Very high	96.9	Very high	60 Å²	60	44.5 Å²	44.5	28%	0.278	22%	0.223	S	C	.	.			trans	-104.8	118.3	177.7	-55	-90.7	0	0	0	110.8	N391 G392 F394 D398 F399 E402	N391-H396 PolarHBondContact O-NE2 2.81Å; G392-H396 PolarHBondContact O-CD2 2.89Å; G392-H396 PolarHBondContact O-NE2 2.8Å; F394-H396 PolarHBondContact O-CD2 3.02Å; H396-D398 PolarHBondContact O-N 2.9Å; H396-F399 HydrophobicContact CB-CD2 3.62Å; H396-F399 HydrophobicContact CB-CE2 3.58Å; H396-F399 HydrophobicContact CB-CZ 4.46Å; H396-F399 AromaticContact CD2-CE2 3.61Å; H396-F399 AromaticContact CG-CE2 3.76Å; H396-F399 PolarHBondContact O-N 2.82Å; H396-E402 WeakPolarHBondContact O-CB 3.36Å; H396-E402 WeakPolarHBondContact O-CG 3.29Å
397	E	94.5	Very high	96.9	Very high	90 Å²	90	42.1 Å²	42.1	42%	0.421	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-18.8	-176	-78.8	-61.5	140.6	0	0	114	K317 F399 K403	K317-E397 IonicContact NZ-OE1 2.55Å; K317-E397 PolarHBondContact NZ-OE1 2.89Å; E397-F399 VanDerWaalsContact C-N 3.25Å; E397-F399 PolarHBondContact O-N 2.89Å; E397-K403 WeakPolarHBondContact O-CE 3.2Å; E397-K403 PolarHBondContact O-NZ 3.39Å; E397-K403 IonicContact OE2-NZ 3.95Å; E397-K403 PolarHBondContact OE2-NZ 2.87Å
398	D	94.1	Very high	96.9	Very high	151 Å²	151	45.5 Å²	45.5	81%	0.807	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-15	-178.6	-61.3	-36.1	0	0	0	113.6	H396	H396-D398 PolarHBondContact O-N 2.9Å
399	F	98	Very high	96.5	Very high	13 Å²	13	48 Å²	48	6%	0.057	24%	0.24	C	C	.	.	S	Bend	trans	-87.9	141.4	-175.1	-61.4	-42.5	0	0	0	114	S387 T388 H396 E397 W401 E402	S387-F399 WeakPolarHBondContact OG-CE1 3.4Å; T388-F399 HydrophobicContact CG2-CD1 4.18Å; T388-F399 HydrophobicContact CG2-CE1 3.68Å; T388-F399 HydrophobicContact CG2-CE2 4.12Å; T388-F399 HydrophobicContact CG2-CZ 3.66Å; H396-F399 HydrophobicContact CB-CD2 3.62Å; H396-F399 HydrophobicContact CB-CE2 3.58Å; H396-F399 HydrophobicContact CB-CZ 4.46Å; H396-F399 AromaticContact CD2-CE2 3.61Å; H396-F399 AromaticContact CG-CE2 3.76Å; H396-F399 PolarHBondContact O-N 2.82Å; E397-F399 VanDerWaalsContact C-N 3.25Å; E397-F399 PolarHBondContact O-N 2.89Å; F399-W401 VanDerWaalsContact C-N 3.32Å; F399-W401 HydrophobicContact CB-CD2 3.99Å; F399-W401 HydrophobicContact CB-CE3 4.38Å; F399-W401 HydrophobicContact CB-CH2 4.01Å; F399-W401 HydrophobicContact CB-CZ2 3.59Å; F399-W401 HydrophobicContact CB-CZ3 4.39Å; F399-W401 HydrophobicContact CD1-CH2 4.09Å; F399-W401 HydrophobicContact CD1-CZ2 4.06Å; F399-W401 AromaticContact CD2-CZ2 3.77Å; F399-W401 HydrophobicContact CD2-CZ2 3.77Å; F399-W401 AromaticContact CG-CE2 3.98Å; F399-W401 AromaticContact CG-CH2 3.99Å; F399-W401 HydrophobicContact CG-CH2 3.99Å; F399-W401 AromaticContact CG-CZ2 3.54Å; F399-W401 HydrophobicContact CG-CZ2 3.54Å; F399-W401 PolarHBondContact O-N 2.84Å; F399-E402 HydrophobicContact CB-CB 4.45Å; F399-E402 HydrophobicContact CB-CG 4.19Å; F399-E402 WeakPolarHBondContact O-CB 3.31Å; F399-E402 PolarHBondContact O-N 2.93Å
400	P	98.2	Very high	95.9	Very high	26 Å²	26	49.7 Å²	49.7	17%	0.169	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-56.7	-39.8	-177.9	-26.4	34	0	0	0	114.4	L378 I384 E402 K403	L378-P400 HydrophobicContact CB-CB 4.24Å; L378-P400 HydrophobicContact CD2-CB 4.27Å; L378-P400 WeakPolarHBondContact O-CB 3.4Å; L378-P400 WeakPolarHBondContact O-CG 3.45Å; I384-P400 HydrophobicContact CD1-CG 4.11Å; P400-E402 PolarHBondContact O-N 3.19Å; P400-K403 PolarHBondContact O-N 2.82Å
401	W	98.7	Very high	95.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-74.1	-13	179.2	52.9	87.6	0	0	0	113.6	Y310 W314 L378 L380 I384 T388 H393 F394 F399 K403	Y310-W401 HydrophobicContact CD1-CD2 4.35Å; Y310-W401 HydrophobicContact CD1-CZ2 4.47Å; Y310-W401 AromaticContact CD2-CD2 3.65Å; Y310-W401 HydrophobicContact CD2-CD2 3.65Å; Y310-W401 AromaticContact CD2-CE2 3.97Å; Y310-W401 AromaticContact CD2-CE3 3.28Å; Y310-W401 HydrophobicContact CD2-CE3 3.28Å; Y310-W401 AromaticContact CD2-CH2 3.67Å; Y310-W401 HydrophobicContact CD2-CH2 3.67Å; Y310-W401 AromaticContact CD2-CZ2 3.99Å; Y310-W401 HydrophobicContact CD2-CZ2 3.99Å; Y310-W401 AromaticContact CD2-CZ3 3.29Å; Y310-W401 HydrophobicContact CD2-CZ3 3.29Å; Y310-W401 HydrophobicContact CE1-CZ2 4.18Å; Y310-W401 HydrophobicContact CE2-CD2 4.18Å; Y310-W401 AromaticContact CE2-CE3 3.79Å; Y310-W401 HydrophobicContact CE2-CE3 3.79Å; Y310-W401 AromaticContact CE2-CH2 3.21Å; Y310-W401 HydrophobicContact CE2-CH2 3.21Å; Y310-W401 AromaticContact CE2-CZ2 3.63Å; Y310-W401 HydrophobicContact CE2-CZ2 3.63Å; Y310-W401 AromaticContact CE2-CZ3 3.29Å; Y310-W401 HydrophobicContact CE2-CZ3 3.29Å; Y310-W401 AromaticContact CG-CD2 3.72Å; Y310-W401 HydrophobicContact CG-CD2 3.72Å; Y310-W401 AromaticContact CG-CE3 3.83Å; Y310-W401 HydrophobicContact CG-CE3 3.83Å; Y310-W401 HydrophobicContact CG-CG 4.18Å; Y310-W401 HydrophobicContact CG-CH2 4.49Å; Y310-W401 HydrophobicContact CG-CZ2 4.38Å; Y310-W401 HydrophobicContact CG-CZ3 4.22Å; Y310-W401 AromaticContact CZ-CH2 3.73Å; Y310-W401 AromaticContact CZ-CZ2 3.73Å; Y310-W401 WeakPolarHBondContact O-CB 3.35Å; W314-W401 WeakPolarHBondContact CA-O 3.26Å; W314-W401 HydrophobicContact CB-CB 4.06Å; L378-W401 HydrophobicContact CD1-CB 4.23Å; L378-W401 HydrophobicContact CD2-CB 4.31Å; L380-W401 HydrophobicContact CD2-CE3 4.07Å; L380-W401 HydrophobicContact CD2-CZ3 3.85Å; I384-W401 HydrophobicContact CD1-CZ3 4.24Å; T388-W401 HydrophobicContact CG2-CH2 3.75Å; T388-W401 HydrophobicContact CG2-CZ2 3.83Å; H393-W401 PolarHBondContact O-NE1 2.99Å; F394-W401 AromaticContact CD1-CD1 3.83Å; F394-W401 AromaticContact CD1-NE1 3.6Å; F394-W401 AromaticContact CE1-NE1 3.97Å; F399-W401 VanDerWaalsContact C-N 3.32Å; F399-W401 HydrophobicContact CB-CD2 3.99Å; F399-W401 HydrophobicContact CB-CE3 4.38Å; F399-W401 HydrophobicContact CB-CH2 4.01Å; F399-W401 HydrophobicContact CB-CZ2 3.59Å; F399-W401 HydrophobicContact CB-CZ3 4.39Å; F399-W401 HydrophobicContact CD1-CH2 4.09Å; F399-W401 HydrophobicContact CD1-CZ2 4.06Å; F399-W401 AromaticContact CD2-CZ2 3.77Å; F399-W401 HydrophobicContact CD2-CZ2 3.77Å; F399-W401 AromaticContact CG-CE2 3.98Å; F399-W401 AromaticContact CG-CH2 3.99Å; F399-W401 HydrophobicContact CG-CH2 3.99Å; F399-W401 AromaticContact CG-CZ2 3.54Å; F399-W401 HydrophobicContact CG-CZ2 3.54Å; F399-W401 PolarHBondContact O-N 2.84Å; W401-K403 VanDerWaalsContact C-N 3.34Å
402	E	98.6	Very high	94.7	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-85.9	-9.4	173.8	-69.2	-66.4	148.6	0	0	112	R313 K317 F394 G395 H396 F399 P400 A404	R313-E402 WeakPolarHBondContact CG-OE1 3.3Å; R313-E402 IonicContact CZ-OE1 3.45Å; R313-E402 IonicContact CZ-OE2 3.49Å; R313-E402 IonicContact NE-OE1 2.72Å; R313-E402 PolarHBondContact NE-OE1 2.92Å; R313-E402 IonicContact NE-OE2 3.09Å; R313-E402 IonicContact NH2-OE1 3.28Å; R313-E402 PolarHBondContact NH2-OE1 2.95Å; R313-E402 IonicContact NH2-OE2 3.73Å; R313-E402 PolarHBondContact NH2-OE2 2.84Å; K317-E402 WeakPolarHBondContact CD-O 3.39Å; K317-E402 VanDerWaalsContact CD-OE2 3.28Å; K317-E402 WeakPolarHBondContact CD-OE2 3.23Å; K317-E402 VanDerWaalsContact CE-O 3.25Å; K317-E402 WeakPolarHBondContact CE-O 3.3Å; K317-E402 WeakPolarHBondContact CE-OE2 3.32Å; K317-E402 PolarHBondContact NZ-O 3.29Å; K317-E402 IonicContact NZ-OE2 3.52Å; K317-E402 PolarHBondContact NZ-OE2 3.47Å; F394-E402 VanDerWaalsContact CA-OE1 3.3Å; F394-E402 WeakPolarHBondContact CA-OE1 3.31Å; F394-E402 WeakPolarHBondContact CB-OE1 3.45Å; G395-E402 PolarHBondContact N-OE1 2.9Å; G395-E402 PolarHBondContact N-OE2 2.65Å; H396-E402 WeakPolarHBondContact O-CB 3.36Å; H396-E402 WeakPolarHBondContact O-CG 3.29Å; F399-E402 HydrophobicContact CB-CB 4.45Å; F399-E402 HydrophobicContact CB-CG 4.19Å; F399-E402 WeakPolarHBondContact O-CB 3.31Å; F399-E402 PolarHBondContact O-N 2.93Å; P400-E402 PolarHBondContact O-N 3.19Å; E402-A404 PolarHBondContact O-N 2.77Å
403	K	98.1	Very high	94	Very high	106 Å²	106	56.9 Å²	56.9	46%	0.461	30%	0.302	S	S	.	.	S	Bend	trans	-82.8	95.3	173	-59.3	-53.8	-177.7	-165.3	0	110.8	W314 E397 P400 W401 K405	W314-K403 PolarHBondContact NE1-O 3.45Å; E397-K403 WeakPolarHBondContact O-CE 3.2Å; E397-K403 PolarHBondContact O-NZ 3.39Å; E397-K403 IonicContact OE2-NZ 3.95Å; E397-K403 PolarHBondContact OE2-NZ 2.87Å; P400-K403 PolarHBondContact O-N 2.82Å; W401-K403 VanDerWaalsContact C-N 3.34Å; K403-K405 PolarHBondContact O-N 2.8Å
404	A	97.6	Very high	93.3	Very high	38 Å²	38	58.1 Å²	58.1	31%	0.314	31%	0.313	S	S	.	.			trans	-49.4	126.7	178.7	0	0	0	0	0	111.8	V321 E402	V321-A404 HydrophobicContact CB-CB 3.91Å; V321-A404 HydrophobicContact CG1-CB 3.9Å; V321-A404 HydrophobicContact CG2-CB 3.96Å; E402-A404 PolarHBondContact O-N 2.77Å
405	K	97.3	Very high	92.5	Very high	56 Å²	56	60.4 Å²	60.4	24%	0.243	33%	0.333	C	S	.	.			trans	-73.5	132.8	178	-165.8	172.9	-166.6	164.4	0	109.1	W314 S318 N366 F367 E377 K403 L407	W314-K405 HydrophobicContact CH2-CD 3.75Å; W314-K405 HydrophobicContact CZ2-CB 3.77Å; W314-K405 HydrophobicContact CZ2-CD 3.65Å; W314-K405 HydrophobicContact CZ2-CG 3.94Å; S318-K405 PolarHBondContact OG-N 3.26Å; N366-K405 WeakPolarHBondContact O-CE 3.37Å; N366-K405 PolarHBondContact O-NZ 3.01Å; F367-K405 HydrophobicContact CD1-CD 4.06Å; F367-K405 HydrophobicContact CE1-CB 3.97Å; F367-K405 HydrophobicContact CE1-CD 3.62Å; F367-K405 HydrophobicContact CE1-CG 4.43Å; F367-K405 HydrophobicContact CZ-CB 3.94Å; F367-K405 HydrophobicContact CZ-CD 4Å; E377-K405 IonicContact OE2-NZ 3.44Å; E377-K405 PolarHBondContact OE2-NZ 3.21Å; K403-K405 PolarHBondContact O-N 2.8Å; K405-L407 HydrophobicContact CB-CD2 4.38Å; K405-L407 PolarHBondContact O-N 2.87Å
406	K	96.7	Very high	91.8	Very high	199 Å²	199	65 Å²	65	87%	0.865	35%	0.349	S	S	*	.			trans	-66.3	108.3	168.2	-176	176.9	-179.7	177.9	0	108.8
407	L	96.9	Very high	91.1	Very high	18 Å²	18	64.1 Å²	64.1	9%	0.094	35%	0.347	C	S	.	.			trans	-77.8	134.4	-175.9	-56.6	-179.1	0	0	0	111.6	L319 A322 L324 V362 N366 F367 K405 I409	L319-L407 HydrophobicContact CD2-CD1 3.84Å; A322-L407 HydrophobicContact CB-CD1 3.84Å; A322-L407 HydrophobicContact CB-CG 4.37Å; L324-L407 HydrophobicContact CD1-CD1 3.96Å; V362-L407 HydrophobicContact CG1-CD1 4.12Å; N366-L407 HydrophobicContact CB-CD2 4Å; F367-L407 HydrophobicContact CE2-CD2 3.51Å; F367-L407 HydrophobicContact CZ-CD2 3.67Å; K405-L407 HydrophobicContact CB-CD2 4.38Å; K405-L407 PolarHBondContact O-N 2.87Å; L407-I409 HydrophobicContact CB-CG1 4.25Å; L407-I409 PolarHBondContact O-N 2.91Å
408	I	94.1	Very high	90.3	Very high	129 Å²	129	67.9 Å²	67.9	66%	0.662	36%	0.357	S	S	*	.			trans	-76.9	108.2	162.9	-57.7	172.7	0	0	0	106.8	N366	N366-I408 PolarHBondContact ND2-O 2.93Å; N366-I408 PolarHBondContact OD1-N 3.26Å
409	I	89.4	Confident	89.4	Confident	53 Å²	53	62.5 Å²	62.5	27%	0.272	34%	0.337	S	S	.	.			trans	-98.2	124.3	-178.4	-60.5	169.7	0	0	0	108.7	L324 L407 V413 A414	L324-I409 HydrophobicContact CD2-CD1 4.03Å; L407-I409 HydrophobicContact CB-CG1 4.25Å; L407-I409 PolarHBondContact O-N 2.91Å; I409-V413 HydrophobicContact CG2-CB 3.75Å; I409-V413 HydrophobicContact CG2-CG1 3.43Å; I409-V413 VanDerWaalsContact CG2-CG1 3.43Å; I409-A414 HydrophobicContact CG2-CB 4.14Å
410	P	82.7	Confident	88.1	Confident	37 Å²	37	63 Å²	63	24%	0.24	34%	0.344	C	S	.	.			trans	-55.1	142.1	175.9	-26.7	35.3	0	0	0	112.2	C412 V413 A414	P410-C412 PolarHBondContact O-N 3.04Å; P410-C412 VanDerWaalsContact O-N 3.14Å; P410-V413 HydrophobicContact CB-CB 4.46Å; P410-V413 HydrophobicContact CB-CG2 4.26Å; P410-V413 HydrophobicContact CG-CG2 4.39Å; P410-V413 WeakPolarHBondContact O-CB 3.37Å; P410-V413 PolarHBondContact O-N 3.19Å; P410-A414 PolarHBondContact O-N 2.8Å
411	P	84.2	Confident	86.4	Confident	109 Å²	109	66.5 Å²	66.5	71%	0.708	37%	0.365	S	S	*	.	H	α-helix	trans	-55.2	-35.5	-177.2	-29.1	35.4	0	0	0	114.8	A414 A415	P411-A414 PolarHBondContact O-N 3.4Å; P411-A415 PolarHBondContact O-N 3.25Å
412	C	81	Confident	84.7	Confident	88 Å²	88	71.1 Å²	71.1	60%	0.595	40%	0.397	S	S	*	.	H	α-helix	trans	-63.1	-41	176.3	55	0	0	0	0	112.4	P410 A415 K416	P410-C412 PolarHBondContact O-N 3.04Å; P410-C412 VanDerWaalsContact O-N 3.14Å; C412-A415 PolarHBondContact O-N 2.9Å; C412-K416 PolarHBondContact O-N 3.47Å
413	V	83.3	Confident	82.6	Confident	5 Å²	5	75.7 Å²	75.7	3%	0.03	43%	0.429	C	S	.	.	H	α-helix	trans	-67.9	-45.3	175.6	171.3	0	0	0	0	110.3	L354 I409 P410 A415 K416 I417	L354-V413 HydrophobicContact CD1-CG1 3.3Å; L354-V413 HydrophobicContact CD2-CB 4.41Å; L354-V413 HydrophobicContact CD2-CG1 3.71Å; L354-V413 HydrophobicContact CD2-CG2 4.45Å; L354-V413 HydrophobicContact CG-CG1 4.11Å; I409-V413 HydrophobicContact CG2-CB 3.75Å; I409-V413 HydrophobicContact CG2-CG1 3.43Å; I409-V413 VanDerWaalsContact CG2-CG1 3.43Å; P410-V413 HydrophobicContact CB-CB 4.46Å; P410-V413 HydrophobicContact CB-CG2 4.26Å; P410-V413 HydrophobicContact CG-CG2 4.39Å; P410-V413 WeakPolarHBondContact O-CB 3.37Å; P410-V413 PolarHBondContact O-N 3.19Å; V413-A415 PolarHBondContact O-N 3.26Å; V413-K416 PolarHBondContact O-N 2.89Å; V413-K416 VanDerWaalsContact O-N 3.16Å; V413-I417 HydrophobicContact CG1-CD1 3.94Å; V413-I417 WeakPolarHBondContact O-CG1 3.49Å; V413-I417 PolarHBondContact O-N 2.99Å
414	A	82.9	Confident	80.2	Confident	26 Å²	26	83.2 Å²	83.2	22%	0.215	45%	0.454	C	S	.	.	H	α-helix	trans	-62	-29.4	177.6	0	0	0	0	0	113	I409 P410 P411 R418	I409-A414 HydrophobicContact CG2-CB 4.14Å; P410-A414 PolarHBondContact O-N 2.8Å; P411-A414 PolarHBondContact O-N 3.4Å; A414-R418 WeakPolarHBondContact O-CG 3.41Å; A414-R418 PolarHBondContact O-N 3.23Å; A414-R418 PolarHBondContact O-NE 3.34Å
415	A	82.6	Confident	79.3	Confident	53 Å²	53	85.5 Å²	85.5	44%	0.438	46%	0.461	S	S	.	.	H	α-helix	trans	-70.7	-43.4	174	0	0	0	0	0	112.1	P411 C412 V413 I417 R418 G419	P411-A415 PolarHBondContact O-N 3.25Å; C412-A415 PolarHBondContact O-N 2.9Å; V413-A415 PolarHBondContact O-N 3.26Å; A415-I417 VanDerWaalsContact C-N 3.34Å; A415-I417 PolarHBondContact O-N 3.37Å; A415-R418 PolarHBondContact O-N 3.42Å; A415-G419 PolarHBondContact O-N 2.61Å
416	K	83.4	Confident	78.4	Confident	106 Å²	106	87.1 Å²	87.1	46%	0.461	47%	0.473	S	S	.	.	H	α-helix	trans	-58.5	-44	176.6	-73.6	-176.1	172.3	-174.2	0	112.3	L354 E358 C412 V413 G419 A420	L354-K416 HydrophobicContact CD2-CB 4.28Å; L354-K416 HydrophobicContact CD2-CD 4.1Å; E358-K416 IonicContact OE1-NZ 2.89Å; E358-K416 PolarHBondContact OE1-NZ 2.9Å; E358-K416 IonicContact OE2-NZ 3.01Å; E358-K416 PolarHBondContact OE2-NZ 3.29Å; C412-K416 PolarHBondContact O-N 3.47Å; V413-K416 PolarHBondContact O-N 2.89Å; V413-K416 VanDerWaalsContact O-N 3.16Å; K416-G419 PolarHBondContact O-N 3.05Å; K416-A420 PolarHBondContact O-N 3.16Å
417	I	80.4	Confident	77.3	Confident	43 Å²	43	80.8 Å²	80.8	22%	0.221	45%	0.451	C	S	.	.	H	α-helix	trans	-65.4	-43.1	-179.8	-61.3	162.1	0	0	0	111.3	L324 V413 A415 A420 T421	L324-I417 HydrophobicContact CD2-CD1 3.32Å; L324-I417 HydrophobicContact CD2-CG1 4.49Å; V413-I417 HydrophobicContact CG1-CD1 3.94Å; V413-I417 WeakPolarHBondContact O-CG1 3.49Å; V413-I417 PolarHBondContact O-N 2.99Å; A415-I417 VanDerWaalsContact C-N 3.34Å; A415-I417 PolarHBondContact O-N 3.37Å; I417-A420 PolarHBondContact O-N 3.12Å; I417-T421 PolarHBondContact O-N 2.88Å; I417-T421 PolarHBondContact O-OG1 2.92Å
418	R	78.1	Confident	76.2	Confident	169 Å²	169	84.5 Å²	84.5	64%	0.638	47%	0.472	S	S	*	.	H	α-helix	trans	-67.8	-35.4	177.6	-74.9	-174.8	-74.5	179.5	-1.4	113.2	A414 A415 A420 T421 S422	A414-R418 WeakPolarHBondContact O-CG 3.41Å; A414-R418 PolarHBondContact O-N 3.23Å; A414-R418 PolarHBondContact O-NE 3.34Å; A415-R418 PolarHBondContact O-N 3.42Å; R418-A420 VanDerWaalsContact C-N 3.32Å; R418-A420 PolarHBondContact O-N 2.67Å; R418-T421 WeakPolarHBondContact CA-OG1 3.23Å; R418-T421 PolarHBondContact O-OG1 3.43Å; R418-S422 PolarHBondContact O-N 3.16Å; R418-S422 PolarHBondContact O-OG 3.07Å
419	G	74.8	Confident	75.1	Confident	38 Å²	38	81.8 Å²	81.8	39%	0.392	46%	0.46	S	S	.	.	H	α-helix	trans	-65.9	-33.4	176.3	0	0	0	0	0	113.3	A415 K416 S422 S423	A415-G419 PolarHBondContact O-N 2.61Å; K416-G419 PolarHBondContact O-N 3.05Å; G419-S422 WeakPolarHBondContact CA-OG 3.3Å; G419-S422 PolarHBondContact O-OG 2.76Å; G419-S422 VanDerWaalsContact O-OG 3.09Å; G419-S423 PolarHBondContact O-OG 2.81Å
420	A	70.3	Confident	74.1	Confident	24 Å²	24	83.7 Å²	83.7	20%	0.198	47%	0.473	C	S	.	.	H	α-helix	trans	-78.7	-31.9	178.9	0	0	0	0	0	113.5	L353 K416 I417 R418 S422 S423	L353-A420 HydrophobicContact CD1-CB 3.22Å; L353-A420 HydrophobicContact CD2-CB 4.41Å; L353-A420 HydrophobicContact CG-CB 4.43Å; K416-A420 PolarHBondContact O-N 3.16Å; I417-A420 PolarHBondContact O-N 3.12Å; R418-A420 VanDerWaalsContact C-N 3.32Å; R418-A420 PolarHBondContact O-N 2.67Å; A420-S422 VanDerWaalsContact C-N 3.32Å; A420-S423 WeakPolarHBondContact CA-OG 3.34Å; A420-S423 PolarHBondContact O-N 2.98Å; A420-S423 PolarHBondContact O-OG 2.97Å
421	T	63.7	Low	73.5	Confident	99 Å²	99	87 Å²	87	61%	0.607	49%	0.489	S	S	*	.	H	α-helix	trans	-74.9	-20.9	175	30.5	0	0	0	0	113.2	I417 R418	I417-T421 PolarHBondContact O-N 2.88Å; I417-T421 PolarHBondContact O-OG1 2.92Å; R418-T421 WeakPolarHBondContact CA-OG1 3.23Å; R418-T421 PolarHBondContact O-OG1 3.43Å
422	S	61.7	Low	72.7	Confident	96 Å²	96	85.3 Å²	85.3	67%	0.671	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-7.3	174.5	45	0	0	0	0	114.3	R418 G419 A420	R418-S422 PolarHBondContact O-N 3.16Å; R418-S422 PolarHBondContact O-OG 3.07Å; G419-S422 WeakPolarHBondContact CA-OG 3.3Å; G419-S422 PolarHBondContact O-OG 2.76Å; G419-S422 VanDerWaalsContact O-OG 3.09Å; A420-S422 VanDerWaalsContact C-N 3.32Å
423	S	55.9	Low	72	Confident	97 Å²	97	85.1 Å²	85.1	68%	0.678	46%	0.462	S	S	*	.			trans	-108.8	2.7	179.2	46.4	0	0	0	0	114	G419 A420	G419-S423 PolarHBondContact O-OG 2.81Å; A420-S423 WeakPolarHBondContact CA-OG 3.34Å; A420-S423 PolarHBondContact O-N 2.98Å; A420-S423 PolarHBondContact O-OG 2.97Å
424	R	46.9	Very low	71	Confident	265 Å²	265	92.4 Å²	92.4	100%	1	50%	0.502	S	S	*	.			trans	-109.2	0	168	-69.2	-176.6	179.4	-169.7	0.4	108.9

Retrieved 424 of 424 residues in 610.4 ms (Link to these results)

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