A0A077YYC2_TRITR Loading...

Pla2g15 protein

AlphaFold DB , UniProt , Accession A0A077YYC2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 408 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	38.3	Very low	41.2	Very low	250 Å²	250	156.4 Å²	156.4	100%	1.232	84%	0.835	S	S	*	*				0	142.3	0	-77.5	172.4	179	0	0	107.8
2	A	38.2	Very low	41.2	Very low	108 Å²	108	162.3 Å²	162.3	89%	0.893	84%	0.837	S	S	*	*			trans	85.1	100.3	-172.7	0	0	0	0	0	116.3
3	C	33.3	Very low	41.3	Very low	118 Å²	118	160.5 Å²	160.5	80%	0.797	83%	0.83	S	S	*	*			trans	-79.1	145.4	165.1	-71.3	0	0	0	0	110.6
4	V	44.1	Very low	41.7	Very low	135 Å²	135	158.4 Å²	158.4	82%	0.818	83%	0.827	S	S	*	*			trans	-143.5	109.3	145	-178.6	0	0	0	0	108
5	H	39.7	Very low	42.1	Very low	160 Å²	160	160.4 Å²	160.4	74%	0.741	83%	0.827	S	S	*	*			trans	-83.6	123.8	171.1	-93.2	-56.7	0	0	0	109.8	F7	H5-F7 HydrophobicContact CB-CD2 4.44Å; H5-F7 HydrophobicContact CB-CE2 4.36Å
6	Y	44.2	Very low	42.1	Very low	210 Å²	210	155.9 Å²	155.9	82%	0.824	82%	0.822	S	S	*	*			trans	-93.3	110.8	162.9	-112	-95.5	0	0	0	108.5
7	F	41.2	Very low	42.4	Very low	177 Å²	177	154.3 Å²	154.3	78%	0.776	82%	0.819	S	S	*	*			trans	-87.4	111.5	165.6	-84.8	-86.3	0	0	0	108.6	H5	H5-F7 HydrophobicContact CB-CD2 4.44Å; H5-F7 HydrophobicContact CB-CE2 4.36Å
8	L	43.8	Very low	42.4	Very low	157 Å²	157	151.9 Å²	151.9	82%	0.822	81%	0.814	S	S	*	*			trans	-85.5	110.1	166.6	-81.6	161.5	0	0	0	108.5	V10	L8-V10 PolarHBondContact O-N 3.28Å
9	H	44.3	Very low	42.2	Very low	186 Å²	186	150.4 Å²	150.4	86%	0.861	81%	0.813	S	S	*	*			trans	-67	117.3	170	-91.7	-67.2	0	0	0	110.3	S11	H9-S11 PolarHBondContact O-N 3.4Å
10	V	43.1	Very low	42	Very low	119 Å²	119	148.4 Å²	148.4	72%	0.721	81%	0.811	S	S	*	*			trans	-79.4	103.5	166	177.1	0	0	0	0	107.9	L8	L8-V10 PolarHBondContact O-N 3.28Å
11	S	42.8	Very low	41.7	Very low	100 Å²	100	146 Å²	146	70%	0.699	81%	0.805	S	S	*	*			trans	-79.9	114.1	170.1	48.2	0	0	0	0	109.8	H9 N13	H9-S11 PolarHBondContact O-N 3.4Å; S11-N13 PolarHBondContact O-N 2.72Å
12	W	42	Very low	41.6	Very low	228 Å²	228	143.6 Å²	143.6	86%	0.864	79%	0.788	S	S	*	*			trans	-68.9	111.4	171.7	-71.4	74.1	0	0	0	109.4	V14	W12-V14 PolarHBondContact O-N 3.35Å
13	N	41.8	Very low	42	Very low	139 Å²	139	143.8 Å²	143.8	74%	0.743	78%	0.777	S	S	*	*			trans	-67.3	95.2	167	-82.5	-33.5	0	0	0	108.9	S11 F15	S11-N13 PolarHBondContact O-N 2.72Å; N13-F15 PolarHBondContact O-N 3.37Å; N13-F15 VanDerWaalsContact O-N 3.13Å
14	V	47.2	Very low	43	Very low	131 Å²	131	146.7 Å²	146.7	79%	0.794	77%	0.772	S	S	*	*			trans	-70.3	99.9	163	178.5	0	0	0	0	106.7	W12 A16	W12-V14 PolarHBondContact O-N 3.35Å; V14-A16 PolarHBondContact O-N 3.35Å
15	F	46.9	Very low	43.9	Very low	188 Å²	188	147.2 Å²	147.2	83%	0.825	76%	0.759	S	S	*	*			trans	-63.7	100.2	165.4	-79.1	-85.1	0	0	0	108.2	N13 T17	N13-F15 PolarHBondContact O-N 3.37Å; N13-F15 VanDerWaalsContact O-N 3.13Å; F15-T17 PolarHBondContact O-N 3.14Å
16	A	43.4	Very low	45.3	Very low	89 Å²	89	142.7 Å²	142.7	74%	0.736	74%	0.737	S	S	*	*			trans	-60.8	115.9	166.6	0	0	0	0	0	108.4	V14	V14-A16 PolarHBondContact O-N 3.35Å
17	T	47.2	Very low	47	Very low	128 Å²	128	133.7 Å²	133.7	79%	0.785	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-58.2	131.4	166.8	35.4	0	0	0	0	108.5	F15	F15-T17 PolarHBondContact O-N 3.14Å
18	P	41.4	Very low	49.1	Very low	112 Å²	112	125.3 Å²	125.3	73%	0.727	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-61.9	144.3	175.2	26.7	-31.8	0	0	0	108.4	S20	P18-S20 PolarHBondContact O-N 2.81Å; P18-S20 VanDerWaalsContact O-N 3.14Å
19	P	39.5	Very low	51.3	Low	123 Å²	123	117.9 Å²	117.9	80%	0.799	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-57.1	126.2	176.5	25.1	-32.2	0	0	0	107.7	S21	P19-S21 PolarHBondContact O-N 3.16Å
20	S	38.2	Very low	53.6	Low	110 Å²	110	109 Å²	109	77%	0.769	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-54.9	117.2	174.3	64	0	0	0	0	107.3	P18 K22	P18-S20 PolarHBondContact O-N 2.81Å; P18-S20 VanDerWaalsContact O-N 3.14Å; S20-K22 PolarHBondContact O-N 2.98Å
21	S	35	Very low	56.2	Low	97 Å²	97	103.3 Å²	103.3	68%	0.678	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-54.5	122.8	168.2	59.3	0	0	0	0	105.5	P19 V23	P19-S21 PolarHBondContact O-N 3.16Å; S21-V23 PolarHBondContact O-N 3.39Å
22	K	37.1	Very low	58.9	Low	201 Å²	201	98.6 Å²	98.6	87%	0.874	52%	0.52	S	S	*	.			trans	-63.3	84.2	170.3	-80.1	-177.5	179.5	175.7	0	106.2	S20 R24	S20-K22 PolarHBondContact O-N 2.98Å; K22-R24 VanDerWaalsContact C-N 3.33Å; K22-R24 PolarHBondContact O-N 2.86Å
23	V	46.2	Very low	61.5	Low	111 Å²	111	87.7 Å²	87.7	67%	0.673	48%	0.479	S	S	*	.			trans	-55.2	105.5	167.3	177.4	0	0	0	0	104.2	S21 R25	S21-V23 PolarHBondContact O-N 3.39Å; V23-R25 VanDerWaalsContact C-N 3.32Å; V23-R25 PolarHBondContact O-N 3.23Å
24	R	54.5	Low	64.2	Low	180 Å²	180	81.1 Å²	81.1	68%	0.679	44%	0.443	S	S	*	.			trans	-57.5	102.2	177.4	-82.6	-173.6	175.1	-160.8	2.5	106	K22 K26 D406	K22-R24 VanDerWaalsContact C-N 3.33Å; K22-R24 PolarHBondContact O-N 2.86Å; R24-K26 PolarHBondContact O-N 3.46Å; R24-D406 IonicContact CZ-OD2 2.74Å; R24-D406 IonicContact NH1-OD1 2.72Å; R24-D406 PolarHBondContact NH1-OD1 3.21Å; R24-D406 IonicContact NH1-OD2 3.18Å; R24-D406 PolarHBondContact NH1-OD2 3.11Å; R24-D406 IonicContact NH2-OD2 2.76Å
25	R	61.6	Low	66.5	Low	146 Å²	146	76.9 Å²	76.9	55%	0.551	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-56.3	126.4	179.9	-69.5	-173.5	-177.4	176.1	0.8	108.3	V23 G178 K180	V23-R25 VanDerWaalsContact C-N 3.32Å; V23-R25 PolarHBondContact O-N 3.23Å; R25-G178 VanDerWaalsContact NH1-CA 3.27Å; R25-K180 HydrophobicContact CB-CD 4.04Å; R25-K180 WeakPolarHBondContact O-CD 3.42Å; R25-K180 WeakPolarHBondContact O-CE 3.36Å; R25-K180 PolarHBondContact O-NZ 2.92Å
26	K	71	Confident	68.7	Low	64 Å²	64	68.5 Å²	68.5	28%	0.278	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-70	152.2	-174.8	-64.7	176	-175	175.6	0	109.4	R24 W137 G138 Y139 N177	R24-K26 PolarHBondContact O-N 3.46Å; K26-W137 PolarHBondContact NZ-O 3.45Å; K26-G138 WeakPolarHBondContact CD-O 3.35Å; K26-G138 PolarHBondContact NZ-O 3.43Å; K26-Y139 HydrophobicContact CB-CE1 4.46Å; K26-Y139 HydrophobicContact CD-CD2 4.34Å; K26-Y139 HydrophobicContact CD-CE2 4.31Å; K26-N177 PolarHBondContact O-ND2 3Å; K26-N177 PolarHBondContact O-OD1 3.38Å
27	V	78.8	Confident	71.2	Confident	22 Å²	22	64.2 Å²	64.2	13%	0.133	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-59.2	142.3	166.2	174.9	0	0	0	0	107.6	Y139 V183 K211	V27-Y139 WeakPolarHBondContact O-CE1 3.41Å; V27-Y139 PolarHBondContact O-OH 2.8Å; V27-V183 HydrophobicContact CG1-CB 4.09Å; V27-V183 HydrophobicContact CG1-CG2 3.47Å; V27-V183 VanDerWaalsContact CG1-CG2 3.47Å; V27-K211 HydrophobicContact CG1-CD 3.97Å; V27-K211 HydrophobicContact CG2-CD 3.85Å
28	T	85.6	Confident	73.6	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.006	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	152.9	-178.5	39.2	0	0	0	0	111.6	T144 T173 N177 V182 V183	T28-T144 CarbonylContact C-O 3.45Å; T28-T144 WeakPolarHBondContact CA-O 3.48Å; T28-T144 HydrophobicContact CG2-CG2 3.78Å; T28-T173 HydrophobicContact CG2-CG2 4.2Å; T28-T173 WeakPolarHBondContact OG1-CG2 3.47Å; T28-N177 HydrophobicContact CG2-CB 3.76Å; T28-N177 VanDerWaalsContact CG2-CG 3.42Å; T28-N177 VanDerWaalsContact CG2-ND2 3.33Å; T28-N177 WeakPolarHBondContact CG2-ND2 3.43Å; T28-N177 PolarHBondContact OG1-ND2 3.49Å; T28-V182 CarbonylContact O-C 3.57Å; T28-V182 WeakPolarHBondContact O-CA 3.47Å; T28-V182 WeakPolarHBondContact O-CG1 3.4Å; T28-V183 PolarHBondContact O-N 2.82Å
29	L	88.9	Confident	76.2	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	136.1	-169.1	-65.6	145.9	0	0	0	111.9	M134 Y139 T144 V145 R146 V183 I185 L403	L29-M134 HydrophobicContact CD1-CE 4.02Å; L29-M134 HydrophobicContact CD1-CG 4.27Å; L29-M134 HydrophobicContact CD1-SD 3.61Å; L29-M134 HydrophobicContact CD2-CE 4.25Å; L29-Y139 HydrophobicContact CD1-CD1 3.52Å; L29-Y139 HydrophobicContact CD1-CE1 3.2Å; L29-Y139 HydrophobicContact CD1-CG 4.34Å; L29-Y139 HydrophobicContact CG-CE1 3.94Å; L29-T144 PolarHBondContact N-O 3.36Å; L29-V145 HydrophobicContact CB-CB 4.32Å; L29-V145 HydrophobicContact CB-CG2 4.15Å; L29-V145 HydrophobicContact CD1-CB 4.11Å; L29-V145 HydrophobicContact CD1-CG2 4.18Å; L29-R146 PolarHBondContact O-N 3.11Å; L29-V183 VanDerWaalsContact CA-O 3.26Å; L29-V183 WeakPolarHBondContact CA-O 3.48Å; L29-V183 HydrophobicContact CD2-CB 4.15Å; L29-V183 HydrophobicContact CD2-CG1 4.04Å; L29-I185 HydrophobicContact CD2-CD1 3.52Å; L29-I185 HydrophobicContact CD2-CG1 3.79Å; L29-L403 HydrophobicContact CD1-CD1 4.17Å; L29-L403 HydrophobicContact CD2-CD1 4.12Å; L29-L403 HydrophobicContact CD2-CD2 3.77Å; L29-L403 HydrophobicContact CG-CD2 4.42Å
30	A	93.3	Very high	79	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	110.5	166.1	0	0	0	0	0	109.9	R146 L169 I170 V182 V183 T184 I185	A30-R146 WeakPolarHBondContact CA-O 3.47Å; A30-L169 HydrophobicContact CB-CD2 4.4Å; A30-I170 HydrophobicContact CB-CG1 4.35Å; A30-V182 HydrophobicContact CB-CG1 4.11Å; A30-V183 PolarHBondContact N-O 2.96Å; A30-T184 WeakPolarHBondContact O-CA 3.32Å; A30-I185 PolarHBondContact O-N 2.88Å
31	C	98.2	Very high	81.9	Confident	0 Å²	0	44 Å²	44	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	122.6	-177	-63.4	0	0	0	0	111	I113 F127 R146 A148 I185	C31-I113 HydrophobicContact CB-CD1 3.68Å; C31-F127 HydrophobicContact CB-CD1 4.04Å; C31-F127 HydrophobicContact CB-CE1 3.64Å; C31-F127 HydrophobicContact CB-CZ 4.47Å; C31-R146 PolarHBondContact N-O 3.23Å; C31-A148 PolarHBondContact O-N 2.88Å; C31-I185 CarbonylContact C-O 3.53Å; C31-I185 VanDerWaalsContact CA-O 3.32Å; C31-I185 WeakPolarHBondContact CA-O 3.37Å
32	V	98.6	Very high	84.9	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	115.6	176.4	-173.6	0	0	0	0	109	A148 Y150 F162 L166 I185 H187 L194	V32-A148 HydrophobicContact CG2-CB 4.17Å; V32-Y150 HydrophobicContact CG1-CD1 4.22Å; V32-Y150 HydrophobicContact CG1-CE1 3.74Å; V32-F162 HydrophobicContact CG1-CZ 4.2Å; V32-L166 HydrophobicContact CG2-CD1 4.24Å; V32-I185 PolarHBondContact N-O 3.31Å; V32-H187 PolarHBondContact O-N 3.33Å; V32-L194 HydrophobicContact CB-CD1 4.02Å; V32-L194 HydrophobicContact CB-CG 4.24Å; V32-L194 HydrophobicContact CG2-CD1 3.84Å; V32-L194 HydrophobicContact CG2-CD2 3.86Å; V32-L194 HydrophobicContact CG2-CG 3.82Å
33	P	98.2	Very high	87.8	Confident	0 Å²	0	35 Å²	35	0%	0	16%	0.157	C	C	.	.			trans	-73.2	168	-176.5	30.6	-35.2	0	0	0	113	G37 N38 I113 Y126 F127 A148 Y150 H187 G190	P33-G37 WeakPolarHBondContact CB-O 3.08Å; P33-N38 HydrophobicContact CG-CB 4.11Å; P33-N38 WeakPolarHBondContact CG-OD1 3.45Å; P33-I113 HydrophobicContact CB-CG2 4.29Å; P33-I113 HydrophobicContact CG-CG2 3.97Å; P33-Y126 HydrophobicContact CB-CE1 3.78Å; P33-F127 HydrophobicContact CB-CE2 4.32Å; P33-A148 WeakPolarHBondContact CD-O 3.48Å; P33-Y150 HydrophobicContact CG-CD1 4.2Å; P33-Y150 HydrophobicContact CG-CE1 3.85Å; P33-Y150 VanDerWaalsContact O-CE1 3.22Å; P33-Y150 WeakPolarHBondContact O-CE1 3.47Å; P33-Y150 PolarHBondContact O-OH 2.97Å; P33-H187 CarbonylContact C-O 3.59Å; P33-G190 WeakPolarHBondContact O-CA 3.37Å; P33-G190 PolarHBondContact O-N 2.8Å
34	G	97.7	Very high	90.3	Very high	0 Å²	0	30 Å²	30	0%	0	13%	0.126	C	C	.	.			trans	-83	-168.4	173.4	0	0	0	0	0	113.8	G37 Y126 H187	G34-G37 PolarHBondContact O-N 3.42Å; G34-Y126 WeakPolarHBondContact CA-OH 3.26Å; G34-Y126 PolarHBondContact N-OH 3.34Å; G34-H187 WeakPolarHBondContact CA-O 3.23Å; G34-H187 PolarHBondContact N-O 2.84Å
35	D	95.3	Very high	92.4	Very high	43 Å²	43	27 Å²	27	23%	0.23	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	134.2	173.7	-170.8	26.7	0	0	0	110.4	G37 F152 L189	D35-G37 PolarHBondContact O-N 3Å; D35-F152 VanDerWaalsContact OD1-CD2 3.28Å; D35-F152 WeakPolarHBondContact OD1-CD2 3.48Å; D35-L189 HydrophobicContact CB-CB 4.22Å; D35-L189 HydrophobicContact CB-CD2 3.87Å
36	G	94	Very high	94.2	Very high	11 Å²	11	20.9 Å²	20.9	11%	0.113	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	5	-170.2	0	0	0	0	0	115.4	N38 W65 I116 F152	G36-N38 VanDerWaalsContact C-N 3.28Å; G36-N38 PolarHBondContact O-N 3.3Å; G36-N38 VanDerWaalsContact O-N 3.16Å; G36-W65 PolarHBondContact O-NE1 3Å; G36-I116 WeakPolarHBondContact O-CD1 3.48Å; G36-I116 WeakPolarHBondContact O-CG2 3.28Å; G36-F152 VanDerWaalsContact N-CD2 3.32Å; G36-F152 VanDerWaalsContact N-CG 3.34Å
37	G	95.2	Very high	95.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.127	C	C	.	.			trans	-82.6	12.2	-166.5	0	0	0	0	0	116.5	P33 G34 D35 Y126	P33-G37 WeakPolarHBondContact CB-O 3.08Å; G34-G37 PolarHBondContact O-N 3.42Å; D35-G37 PolarHBondContact O-N 3Å; G37-Y126 VanDerWaalsContact O-CD1 3.22Å; G37-Y126 WeakPolarHBondContact O-CD1 3.45Å; G37-Y126 VanDerWaalsContact O-CE1 3.27Å; G37-Y126 WeakPolarHBondContact O-CE1 3.3Å
38	N	97.1	Very high	96.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	-149.2	160.1	173.7	58.3	-112.9	0	0	0	112.1	P33 G36 W65 T112 I113 P149 Y150 F152	P33-N38 HydrophobicContact CG-CB 4.11Å; P33-N38 WeakPolarHBondContact CG-OD1 3.45Å; G36-N38 VanDerWaalsContact C-N 3.28Å; G36-N38 PolarHBondContact O-N 3.3Å; G36-N38 VanDerWaalsContact O-N 3.16Å; N38-W65 VanDerWaalsContact O-CD1 3.22Å; N38-T112 VanDerWaalsContact CA-O 3.28Å; N38-T112 WeakPolarHBondContact CA-O 3.42Å; N38-I113 HydrophobicContact CB-CG2 4Å; N38-P149 HydrophobicContact CB-CB 3.55Å; N38-P149 WeakPolarHBondContact OD1-CA 3.36Å; N38-Y150 PolarHBondContact ND2-O 2.89Å; N38-Y150 PolarHBondContact OD1-N 3.39Å; N38-Y150 PolarHBondContact OD1-O 2.92Å; N38-F152 WeakPolarHBondContact O-CE1 3.2Å
39	Q	97.3	Very high	96.7	Very high	21 Å²	21	28 Å²	28	10%	0.098	16%	0.157	C	C	.	.			trans	-59.4	148.1	172.3	-69.5	175.1	20.5	0	0	112.5	W65 P105 T112 Y115 I116	Q39-W65 CarbonylContact C-O 3.27Å; Q39-W65 WeakPolarHBondContact CA-O 3.3Å; Q39-P105 HydrophobicContact CB-CG 3.88Å; Q39-T112 HydrophobicContact CB-CG2 4.32Å; Q39-T112 HydrophobicContact CG-CG2 4.49Å; Q39-T112 PolarHBondContact N-O 2.84Å; Q39-T112 VanDerWaalsContact N-O 3.1Å; Q39-Y115 PolarHBondContact NE2-O 2.73Å; Q39-I116 WeakPolarHBondContact CG-O 3.43Å
40	L	97.9	Very high	97	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	130.4	170	-177.9	156.7	0	0	0	108.5	L64 W65 M83 T102 I104 F152	L40-L64 HydrophobicContact CD2-CB 3.88Å; L40-L64 HydrophobicContact CD2-CD2 3.78Å; L40-L64 HydrophobicContact CD2-CG 4.21Å; L40-L64 PolarHBondContact O-N 2.94Å; L40-W65 HydrophobicContact CB-CB 4.13Å; L40-W65 PolarHBondContact N-O 3Å; L40-W65 PolarHBondContact O-N 3.13Å; L40-M83 HydrophobicContact CD1-CE 4.41Å; L40-M83 HydrophobicContact CD2-SD 4.38Å; L40-T102 HydrophobicContact CD2-CG2 3.95Å; L40-I104 HydrophobicContact CB-CD1 4.26Å; L40-I104 HydrophobicContact CD1-CD1 3.98Å; L40-I104 HydrophobicContact CG-CD1 3.94Å; L40-F152 HydrophobicContact CB-CE1 4.35Å
41	E	98.5	Very high	97.1	Very high	27 Å²	27	34.8 Å²	34.8	13%	0.126	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	150.4	178.9	-69.4	175.5	-162.4	0	0	111.2	F61 F62 T102 R103 P105	E41-F61 HydrophobicContact CB-CB 4.36Å; E41-F61 HydrophobicContact CB-CD1 4.19Å; E41-F62 CarbonylContact C-O 3.54Å; E41-F62 WeakPolarHBondContact CA-O 3.37Å; E41-F62 WeakPolarHBondContact CB-O 3.46Å; E41-T102 CarbonylContact O-C 3.45Å; E41-T102 VanDerWaalsContact O-CA 3.22Å; E41-T102 WeakPolarHBondContact O-CA 3.39Å; E41-R103 HydrophobicContact CB-CG 3.91Å; E41-R103 PolarHBondContact N-O 3.43Å; E41-R103 PolarHBondContact O-N 2.78Å; E41-R103 IonicContact OE2-CZ 2.73Å; E41-R103 IonicContact OE2-NE 3.27Å; E41-R103 PolarHBondContact OE2-NE 2.89Å; E41-R103 IonicContact OE2-NH2 2.91Å; E41-R103 PolarHBondContact OE2-NH2 3.05Å; E41-P105 HydrophobicContact CG-CG 4.05Å; E41-P105 WeakPolarHBondContact OE1-CB 3.24Å
42	A	98.6	Very high	96.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	155.8	176.7	0	0	0	0	0	112.6	F61 F62 L64 V100 T101 T102	A42-F61 VanDerWaalsContact C-CD1 3.5Å; A42-F61 CarbonylContact O-C 3.55Å; A42-F61 VanDerWaalsContact O-CA 3.26Å; A42-F61 WeakPolarHBondContact O-CA 3.38Å; A42-F62 HydrophobicContact CB-CE1 4.03Å; A42-F62 HydrophobicContact CB-CZ 4.05Å; A42-F62 PolarHBondContact N-O 3.03Å; A42-F62 WeakPolarHBondContact O-CD1 3.27Å; A42-F62 VanDerWaalsContact O-CE1 3.27Å; A42-F62 WeakPolarHBondContact O-CE1 3.35Å; A42-F62 PolarHBondContact O-N 3.16Å; A42-L64 HydrophobicContact CB-CB 3.87Å; A42-L64 HydrophobicContact CB-CD2 3.77Å; A42-L64 HydrophobicContact CB-CG 4.35Å; A42-V100 HydrophobicContact CB-CG1 4.17Å; A42-T101 CarbonylContact C-O 3.52Å; A42-T101 WeakPolarHBondContact CA-O 3.48Å; A42-T102 HydrophobicContact CB-CG2 4.3Å
43	R	98.5	Very high	96.7	Very high	110 Å²	110	49.6 Å²	49.6	42%	0.415	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	134.7	166.8	-174	179.6	67.1	173.2	1.9	108.8	T58 F61 T101	R43-T58 WeakPolarHBondContact CA-OG1 3.39Å; R43-T58 WeakPolarHBondContact CG-O 3.17Å; R43-F61 HydrophobicContact CB-CD1 3.94Å; R43-F61 HydrophobicContact CB-CD2 4.2Å; R43-F61 HydrophobicContact CB-CE1 3.92Å; R43-F61 HydrophobicContact CB-CE2 4.19Å; R43-F61 HydrophobicContact CB-CG 4.08Å; R43-F61 HydrophobicContact CB-CZ 4.05Å; R43-T101 PolarHBondContact N-O 3.31Å; R43-T101 PolarHBondContact O-N 2.76Å
44	L	98.6	Very high	96.6	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.021	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	138.5	-173.3	-46.4	-179.2	0	0	0	111.8	K55 K56 H57 T58 F62 N82 G99 V100	L44-K55 HydrophobicContact CD1-CB 4.16Å; L44-K55 WeakPolarHBondContact CD1-O 3.19Å; L44-K56 CarbonylContact C-O 3.41Å; L44-K56 WeakPolarHBondContact CB-O 3.22Å; L44-H57 WeakPolarHBondContact O-CA 3.4Å; L44-T58 HydrophobicContact CB-CG2 4.17Å; L44-T58 HydrophobicContact CD1-CG2 4Å; L44-T58 HydrophobicContact CG-CG2 3.94Å; L44-T58 PolarHBondContact N-OG1 3.21Å; L44-T58 PolarHBondContact O-N 3.39Å; L44-F62 HydrophobicContact CD1-CE1 4.12Å; L44-F62 HydrophobicContact CD1-CZ 4.23Å; L44-F62 HydrophobicContact CD2-CE1 4.07Å; L44-F62 HydrophobicContact CD2-CZ 4.21Å; L44-F62 HydrophobicContact CG-CE1 3.79Å; L44-F62 HydrophobicContact CG-CZ 4.23Å; L44-N82 HydrophobicContact CD2-CB 4.47Å; L44-G99 CarbonylContact C-O 3.56Å; L44-V100 HydrophobicContact CD2-CG1 4.12Å; L44-V100 HydrophobicContact CD2-CG2 4.04Å
45	N	98.3	Very high	96.5	Very high	119 Å²	119	57.4 Å²	57.4	64%	0.636	29%	0.289	S	S	*	.	B	Isolated β-bridge	trans	-149.9	60.6	166.9	-173.7	24.6	0	0	0	109	K56 G99	N45-K56 CarbonylContact C-O 3.56Å; N45-K56 WeakPolarHBondContact CA-O 3.26Å; N45-K56 PolarHBondContact N-O 2.68Å; N45-G99 CarbonylContact C-O 3.55Å; N45-G99 PolarHBondContact N-O 2.74Å; N45-G99 WeakPolarHBondContact O-CA 3.44Å
46	K	98.2	Very high	96.6	Very high	17 Å²	17	60.1 Å²	60.1	7%	0.074	30%	0.298	C	S	.	.			trans	-87.3	142.4	-175	-57.6	168.4	65.2	81.9	0	110.6	S48 K56 D81 N82 V100	K46-S48 WeakPolarHBondContact CB-O 3.5Å; K46-S48 WeakPolarHBondContact CE-O 3.37Å; K46-K56 HydrophobicContact CB-CB 4.41Å; K46-K56 PolarHBondContact N-O 3.05Å; K46-D81 WeakPolarHBondContact CE-OD2 3.38Å; K46-D81 PolarHBondContact NZ-O 3.21Å; K46-D81 IonicContact NZ-OD1 3.83Å; K46-D81 IonicContact NZ-OD2 2.82Å; K46-D81 PolarHBondContact NZ-OD2 3.22Å; K46-N82 VanDerWaalsContact CD-OD1 3.31Å; K46-N82 WeakPolarHBondContact CD-OD1 3.31Å; K46-N82 PolarHBondContact NZ-OD1 2.97Å; K46-V100 HydrophobicContact CD-CG2 4.27Å; K46-V100 HydrophobicContact CG-CG2 4.28Å
47	T	96.5	Very high	96.8	Very high	131 Å²	131	64.8 Å²	64.8	80%	0.804	32%	0.317	S	S	*	.	S	Bend	trans	-80.5	-33.6	174.3	53.6	0	0	0	0	111.9	K56	T47-K56 PolarHBondContact O-NZ 3.14Å; T47-K56 VanDerWaalsContact O-NZ 3.11Å
48	S	96.5	Very high	96.9	Very high	77 Å²	77	65.8 Å²	65.8	54%	0.538	32%	0.323	S	S	.	.			trans	-126.1	167	178.7	62.4	0	0	0	0	111.8	K46	K46-S48 WeakPolarHBondContact CB-O 3.5Å; K46-S48 WeakPolarHBondContact CE-O 3.37Å
49	A	95.6	Very high	96.9	Very high	29 Å²	29	71.7 Å²	71.7	24%	0.24	36%	0.355	C	S	.	.			trans	-144.3	147.4	176.8	0	0	0	0	0	108.6	H51 C54 K56	A49-H51 VanDerWaalsContact C-N 3.26Å; A49-H51 WeakPolarHBondContact CB-O 3.35Å; A49-H51 PolarHBondContact O-N 3.49Å; A49-C54 HydrophobicContact CB-CB 4Å; A49-K56 HydrophobicContact CB-CD 4.41Å; A49-K56 HydrophobicContact CB-CG 3.89Å
50	V	95.6	Very high	96.9	Very high	74 Å²	74	77.5 Å²	77.5	45%	0.448	38%	0.382	S	S	.	.	S	Bend	trans	-65.3	-30.9	179.2	-67.3	0	0	0	0	112.8	D77 D81	V50-D77 HydrophobicContact CG2-CB 4.08Å; V50-D81 HydrophobicContact CG1-CB 3.83Å; V50-D81 HydrophobicContact CG2-CB 4.27Å
51	H	95.5	Very high	96.9	Very high	68 Å²	68	79.8 Å²	79.8	32%	0.315	39%	0.392	S	S	.	.	S	Bend	trans	-136.2	155.2	173.9	-59.9	-68.5	0	0	0	110.7	A49 F53 C54 D77	A49-H51 VanDerWaalsContact C-N 3.26Å; A49-H51 WeakPolarHBondContact CB-O 3.35Å; A49-H51 PolarHBondContact O-N 3.49Å; H51-F53 HydrophobicContact CB-CD1 3.85Å; H51-F53 HydrophobicContact CB-CD2 4.36Å; H51-F53 HydrophobicContact CB-CE1 3.42Å; H51-F53 VanDerWaalsContact CB-CE1 3.42Å; H51-F53 HydrophobicContact CB-CE2 3.97Å; H51-F53 HydrophobicContact CB-CG 4.3Å; H51-F53 HydrophobicContact CB-CZ 3.48Å; H51-F53 VanDerWaalsContact CB-CZ 3.48Å; H51-F53 AromaticContact CD2-CZ 3.71Å; H51-F53 AromaticContact CG-CE1 3.81Å; H51-F53 AromaticContact CG-CZ 3.64Å; H51-F53 PolarHBondContact O-N 2.97Å; H51-C54 WeakPolarHBondContact O-CB 3.35Å; H51-C54 PolarHBondContact O-N 3.2Å; H51-C54 VanDerWaalsContact O-N 3.11Å; H51-D77 IonicContact CD2-OD2 3.35Å; H51-D77 IonicContact CE1-OD2 3.1Å; H51-D77 IonicContact NE2-OD2 3.72Å; H51-D77 PolarHBondContact NE2-OD2 2.8Å
52	Y	93.9	Very high	96.9	Very high	220 Å²	220	80.9 Å²	80.9	86%	0.863	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-28.3	-178	73.1	-90.1	0	0	0	113.5
53	F	93.4	Very high	96.8	Very high	90 Å²	90	82.4 Å²	82.4	40%	0.395	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-9.5	-179.6	58.2	-102.2	0	0	0	113.4	H51 Y74 C78	H51-F53 HydrophobicContact CB-CD1 3.85Å; H51-F53 HydrophobicContact CB-CD2 4.36Å; H51-F53 HydrophobicContact CB-CE1 3.42Å; H51-F53 VanDerWaalsContact CB-CE1 3.42Å; H51-F53 HydrophobicContact CB-CE2 3.97Å; H51-F53 HydrophobicContact CB-CG 4.3Å; H51-F53 HydrophobicContact CB-CZ 3.48Å; H51-F53 VanDerWaalsContact CB-CZ 3.48Å; H51-F53 AromaticContact CD2-CZ 3.71Å; H51-F53 AromaticContact CG-CE1 3.81Å; H51-F53 AromaticContact CG-CZ 3.64Å; H51-F53 PolarHBondContact O-N 2.97Å; F53-Y74 WeakPolarHBondContact CE2-O 3.5Å; F53-Y74 VanDerWaalsContact CZ-O 3.25Å; F53-Y74 WeakPolarHBondContact CZ-O 3.45Å; F53-C78 VanDerWaalsContact CE2-SG 3.54Å
54	C	96.6	Very high	96.7	Very high	12 Å²	12	77.1 Å²	77.1	8%	0.081	39%	0.386	C	S	.	.	S	Bend	trans	-74	129.7	176.2	-60.5	0	0	0	0	110.3	A49 H51 K56 C78	A49-C54 HydrophobicContact CB-CB 4Å; H51-C54 WeakPolarHBondContact O-CB 3.35Å; H51-C54 PolarHBondContact O-N 3.2Å; H51-C54 VanDerWaalsContact O-N 3.11Å; C54-K56 PolarHBondContact O-N 3.13Å; C54-C78 WeakPolarHBondContact CA-SG 3.39Å; C54-C78 HydrophobicContact CB-CB 3.7Å; C54-C78 WeakPolarHBondContact CB-SG 3.49Å; C54-C78 VanDerWaalsContact SG-CA 3.52Å; C54-C78 WeakPolarHBondContact SG-CB 3.42Å; C54-C78 CovalentContact SG-SG 2.03Å; C54-C78 PolarHBondContact SG-SG 2.8Å
55	K	96.1	Very high	96.5	Very high	152 Å²	152	78.3 Å²	78.3	66%	0.661	39%	0.39	S	S	*	.			trans	-62.1	130.7	177.8	-67.6	-175.4	179.4	179.4	0	110.8	L44	L44-K55 HydrophobicContact CD1-CB 4.16Å; L44-K55 WeakPolarHBondContact CD1-O 3.19Å
56	K	97.5	Very high	96.2	Very high	100 Å²	100	73.3 Å²	73.3	44%	0.435	36%	0.363	S	S	.	.			trans	-94.4	-31.6	172.4	-69.5	-174.1	-175.8	-172.2	0	113	L44 N45 K46 T47 A49 C54	L44-K56 CarbonylContact C-O 3.41Å; L44-K56 WeakPolarHBondContact CB-O 3.22Å; N45-K56 CarbonylContact C-O 3.56Å; N45-K56 WeakPolarHBondContact CA-O 3.26Å; N45-K56 PolarHBondContact N-O 2.68Å; K46-K56 HydrophobicContact CB-CB 4.41Å; K46-K56 PolarHBondContact N-O 3.05Å; T47-K56 PolarHBondContact O-NZ 3.14Å; T47-K56 VanDerWaalsContact O-NZ 3.11Å; A49-K56 HydrophobicContact CB-CD 4.41Å; A49-K56 HydrophobicContact CB-CG 3.89Å; C54-K56 PolarHBondContact O-N 3.13Å
57	H	97.8	Very high	95.7	Very high	110 Å²	110	74.2 Å²	74.2	51%	0.509	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-125.5	142.2	-177	-171.9	-95	0	0	0	110.9	L44 D59	L44-H57 WeakPolarHBondContact O-CA 3.4Å; H57-D59 IonicContact CE1-OD1 2.99Å; H57-D59 PolarHBondContact CE1-OD1 3.28Å; H57-D59 IonicContact ND1-OD1 2.86Å; H57-D59 PolarHBondContact ND1-OD1 2.97Å
58	T	97.9	Very high	95.1	Very high	20 Å²	20	70.2 Å²	70.2	12%	0.123	34%	0.342	C	S	.	.			trans	-135.7	134.8	164.8	65.9	0	0	0	0	109.1	R43 L44 E60 F62	R43-T58 WeakPolarHBondContact CA-OG1 3.39Å; R43-T58 WeakPolarHBondContact CG-O 3.17Å; L44-T58 HydrophobicContact CB-CG2 4.17Å; L44-T58 HydrophobicContact CD1-CG2 4Å; L44-T58 HydrophobicContact CG-CG2 3.94Å; L44-T58 PolarHBondContact N-OG1 3.21Å; L44-T58 PolarHBondContact O-N 3.39Å; T58-E60 WeakPolarHBondContact CB-O 2.98Å; T58-E60 PolarHBondContact OG1-O 3.38Å; T58-F62 HydrophobicContact CG2-CD1 3.96Å; T58-F62 HydrophobicContact CG2-CE1 3.98Å
59	D	96.8	Very high	94.7	Very high	124 Å²	124	73.8 Å²	73.8	66%	0.663	35%	0.35	S	S	*	.	S	Bend	trans	-68.3	-45.9	179.9	-56	-32.5	0	0	0	110.5	H57	H57-D59 IonicContact CE1-OD1 2.99Å; H57-D59 PolarHBondContact CE1-OD1 3.28Å; H57-D59 IonicContact ND1-OD1 2.86Å; H57-D59 PolarHBondContact ND1-OD1 2.97Å
60	E	97.3	Very high	94.3	Very high	143 Å²	143	73.9 Å²	73.9	67%	0.668	35%	0.347	S	S	*	.	S	Bend	trans	-107.2	166.9	-179.7	-65.8	-58.6	153.3	0	0	112.6	T58	T58-E60 WeakPolarHBondContact CB-O 2.98Å; T58-E60 PolarHBondContact OG1-O 3.38Å
61	F	98.1	Very high	93.9	Very high	48 Å²	48	70.5 Å²	70.5	21%	0.211	33%	0.326	C	S	.	.			trans	-68.3	140	165.5	-78.7	-93.1	0	0	0	110.3	E41 A42 R43 T101 R103	E41-F61 HydrophobicContact CB-CB 4.36Å; E41-F61 HydrophobicContact CB-CD1 4.19Å; A42-F61 VanDerWaalsContact C-CD1 3.5Å; A42-F61 CarbonylContact O-C 3.55Å; A42-F61 VanDerWaalsContact O-CA 3.26Å; A42-F61 WeakPolarHBondContact O-CA 3.38Å; R43-F61 HydrophobicContact CB-CD1 3.94Å; R43-F61 HydrophobicContact CB-CD2 4.2Å; R43-F61 HydrophobicContact CB-CE1 3.92Å; R43-F61 HydrophobicContact CB-CE2 4.19Å; R43-F61 HydrophobicContact CB-CG 4.08Å; R43-F61 HydrophobicContact CB-CZ 4.05Å; F61-T101 HydrophobicContact CE1-CG2 4.16Å; F61-T101 HydrophobicContact CZ-CG2 3.88Å; F61-R103 HydrophobicContact CD1-CG 3.72Å; F61-R103 HydrophobicContact CE1-CB 4.12Å; F61-R103 HydrophobicContact CE1-CG 3.71Å; F61-R103 HydrophobicContact CG-CG 4.37Å; F61-R103 HydrophobicContact CZ-CG 4.36Å
62	F	97.4	Very high	93.4	Very high	51 Å²	51	70.3 Å²	70.3	22%	0.224	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	158.8	172.4	69.4	-80	0	0	0	110.2	E41 A42 L44 T58 L64 L70	E41-F62 CarbonylContact C-O 3.54Å; E41-F62 WeakPolarHBondContact CA-O 3.37Å; E41-F62 WeakPolarHBondContact CB-O 3.46Å; A42-F62 HydrophobicContact CB-CE1 4.03Å; A42-F62 HydrophobicContact CB-CZ 4.05Å; A42-F62 PolarHBondContact N-O 3.03Å; A42-F62 WeakPolarHBondContact O-CD1 3.27Å; A42-F62 VanDerWaalsContact O-CE1 3.27Å; A42-F62 WeakPolarHBondContact O-CE1 3.35Å; A42-F62 PolarHBondContact O-N 3.16Å; L44-F62 HydrophobicContact CD1-CE1 4.12Å; L44-F62 HydrophobicContact CD1-CZ 4.23Å; L44-F62 HydrophobicContact CD2-CE1 4.07Å; L44-F62 HydrophobicContact CD2-CZ 4.21Å; L44-F62 HydrophobicContact CG-CE1 3.79Å; L44-F62 HydrophobicContact CG-CZ 4.23Å; T58-F62 HydrophobicContact CG2-CD1 3.96Å; T58-F62 HydrophobicContact CG2-CE1 3.98Å; F62-L64 HydrophobicContact CE2-CB 4.22Å; F62-L64 HydrophobicContact CE2-CD1 4.12Å; F62-L64 HydrophobicContact CZ-CD1 4.31Å; F62-L64 PolarHBondContact O-N 3.25Å; F62-L64 VanDerWaalsContact O-N 3.13Å; F62-L70 HydrophobicContact CD2-CD1 4.39Å; F62-L70 HydrophobicContact CE2-CD1 3.86Å
63	T	96.7	Very high	93	Very high	31 Å²	31	63.8 Å²	63.8	19%	0.19	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	109.4	174.2	-53.2	0	0	0	0	110.1	W65 N67 P118	T63-W65 VanDerWaalsContact CG2-O 3.3Å; T63-W65 WeakPolarHBondContact CG2-O 3.39Å; T63-N67 WeakPolarHBondContact O-CB 3.48Å; T63-N67 PolarHBondContact O-ND2 3.12Å; T63-P118 HydrophobicContact CG2-CG 3.85Å
64	L	96.6	Very high	92.6	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	-31.3	173.3	-179.9	60.9	0	0	0	110.9	L40 A42 F62 L70 W79 N82 M83	L40-L64 HydrophobicContact CD2-CB 3.88Å; L40-L64 HydrophobicContact CD2-CD2 3.78Å; L40-L64 HydrophobicContact CD2-CG 4.21Å; L40-L64 PolarHBondContact O-N 2.94Å; A42-L64 HydrophobicContact CB-CB 3.87Å; A42-L64 HydrophobicContact CB-CD2 3.77Å; A42-L64 HydrophobicContact CB-CG 4.35Å; F62-L64 HydrophobicContact CE2-CB 4.22Å; F62-L64 HydrophobicContact CE2-CD1 4.12Å; F62-L64 HydrophobicContact CZ-CD1 4.31Å; F62-L64 PolarHBondContact O-N 3.25Å; F62-L64 VanDerWaalsContact O-N 3.13Å; L64-L70 HydrophobicContact CD1-CD1 4.11Å; L64-W79 PolarHBondContact O-NE1 3.29Å; L64-N82 HydrophobicContact CD1-CB 4.02Å; L64-N82 HydrophobicContact CD2-CB 4.4Å; L64-M83 HydrophobicContact CD2-CB 4.31Å; L64-M83 HydrophobicContact CD2-SD 3.75Å; L64-M83 HydrophobicContact CG-SD 4.01Å
65	W	95.3	Very high	92.3	Very high	29 Å²	29	70 Å²	70	11%	0.11	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	135	175.1	176.8	-97.2	0	0	0	111.6	G36 N38 Q39 L40 T63 L71 W79 M83 I116 F152 L236	G36-W65 PolarHBondContact O-NE1 3Å; N38-W65 VanDerWaalsContact O-CD1 3.22Å; Q39-W65 CarbonylContact C-O 3.27Å; Q39-W65 WeakPolarHBondContact CA-O 3.3Å; L40-W65 HydrophobicContact CB-CB 4.13Å; L40-W65 PolarHBondContact N-O 3Å; L40-W65 PolarHBondContact O-N 3.13Å; T63-W65 VanDerWaalsContact CG2-O 3.3Å; T63-W65 WeakPolarHBondContact CG2-O 3.39Å; W65-L71 HydrophobicContact CZ3-CD1 4.38Å; W65-W79 AromaticContact CE3-CZ2 3.85Å; W65-W79 HydrophobicContact CE3-CZ2 3.85Å; W65-W79 HydrophobicContact CZ3-CZ2 4.21Å; W65-M83 HydrophobicContact CB-CE 4.26Å; W65-I116 VanDerWaalsContact NE1-CG2 3.3Å; W65-F152 HydrophobicContact CB-CZ 4.36Å; W65-F152 AromaticContact CD1-CE1 3.53Å; W65-F152 AromaticContact CD1-CZ 3.37Å; W65-F152 HydrophobicContact CD2-CZ 4.36Å; W65-F152 HydrophobicContact CG-CE1 4.32Å; W65-F152 AromaticContact CG-CZ 3.79Å; W65-F152 HydrophobicContact CG-CZ 3.79Å; W65-F152 AromaticContact NE1-CE1 3.93Å; W65-F152 AromaticContact NE1-CZ 3.7Å; W65-L236 HydrophobicContact CH2-CD1 3.93Å; W65-L236 HydrophobicContact CZ3-CD1 4.02Å
66	L	90.3	Very high	92.2	Very high	13 Å²	13	63 Å²	63	7%	0.068	31%	0.309	C	S	.	.	S	Bend	cis	-84.5	133.3	-15.9	177.5	60.5	0	0	0	109.1	L68 L71 I116 D117 P118	L66-L68 HydrophobicContact CD1-CD2 4.13Å; L66-L68 HydrophobicContact CD2-CD2 4.07Å; L66-L68 HydrophobicContact CG-CD2 4.15Å; L66-L71 HydrophobicContact CD1-CD1 3.61Å; L66-I116 HydrophobicContact CB-CB 4.33Å; L66-I116 HydrophobicContact CB-CG2 3.68Å; L66-I116 PolarHBondContact N-O 3.25Å; L66-D117 HydrophobicContact CB-CB 4.3Å; L66-D117 HydrophobicContact CD2-CB 4.16Å; L66-D117 HydrophobicContact CG-CB 4.29Å; L66-P118 WeakPolarHBondContact O-CD 3.35Å
67	N	88.4	Confident	92	Very high	37 Å²	37	60.9 Å²	60.9	20%	0.198	30%	0.302	C	S	.	.			trans	-137.7	106.1	171.2	-178.5	-18.9	0	0	0	108.6	T63 E69 L70	T63-N67 WeakPolarHBondContact O-CB 3.48Å; T63-N67 PolarHBondContact O-ND2 3.12Å; N67-E69 PolarHBondContact O-N 3.17Å; N67-E69 WeakPolarHBondContact OD1-CB 3.39Å; N67-E69 PolarHBondContact OD1-N 3.13Å; N67-E69 VanDerWaalsContact OD1-N 3.13Å; N67-L70 HydrophobicContact CB-CB 4.45Å; N67-L70 HydrophobicContact CB-CD1 3.86Å; N67-L70 HydrophobicContact CB-CG 3.96Å; N67-L70 WeakPolarHBondContact O-CB 3.46Å; N67-L70 PolarHBondContact O-N 2.95Å; N67-L70 VanDerWaalsContact O-N 3.07Å
68	L	84.7	Confident	91.9	Very high	46 Å²	46	56.2 Å²	56.2	24%	0.241	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-63.9	-28.2	-173.7	-62.7	179.1	0	0	0	113	L66 L70 L71 Y123 I241	L66-L68 HydrophobicContact CD1-CD2 4.13Å; L66-L68 HydrophobicContact CD2-CD2 4.07Å; L66-L68 HydrophobicContact CG-CD2 4.15Å; L68-L70 PolarHBondContact O-N 3.04Å; L68-L71 HydrophobicContact CD2-CD1 4.49Å; L68-L71 PolarHBondContact O-N 2.91Å; L68-L71 VanDerWaalsContact O-N 3.14Å; L68-Y123 HydrophobicContact CD1-CD2 3.87Å; L68-I241 HydrophobicContact CD2-CD1 3.75Å
69	E	87	Confident	91.8	Very high	152 Å²	152	55.5 Å²	55.5	71%	0.71	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-65.7	-28	176.4	-59.3	-179.8	175.5	0	0	111.9	N67 L71 V72	N67-E69 PolarHBondContact O-N 3.17Å; N67-E69 WeakPolarHBondContact OD1-CB 3.39Å; N67-E69 PolarHBondContact OD1-N 3.13Å; N67-E69 VanDerWaalsContact OD1-N 3.13Å; E69-L71 VanDerWaalsContact C-N 3.3Å; E69-V72 WeakPolarHBondContact O-CG2 3.45Å
70	L	88.4	Confident	91.8	Very high	32 Å²	32	50.3 Å²	50.3	17%	0.168	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-79.4	-13.6	177.3	-59	-178.2	0	0	0	113	F62 L64 N67 L68 V75 W79	F62-L70 HydrophobicContact CD2-CD1 4.39Å; F62-L70 HydrophobicContact CE2-CD1 3.86Å; L64-L70 HydrophobicContact CD1-CD1 4.11Å; N67-L70 HydrophobicContact CB-CB 4.45Å; N67-L70 HydrophobicContact CB-CD1 3.86Å; N67-L70 HydrophobicContact CB-CG 3.96Å; N67-L70 WeakPolarHBondContact O-CB 3.46Å; N67-L70 PolarHBondContact O-N 2.95Å; N67-L70 VanDerWaalsContact O-N 3.07Å; L68-L70 PolarHBondContact O-N 3.04Å; L70-V75 HydrophobicContact CD2-CG1 4Å; L70-V75 CarbonylContact O-C 3.53Å; L70-W79 HydrophobicContact CB-CB 4.15Å; L70-W79 HydrophobicContact CB-CG 4.21Å; L70-W79 WeakPolarHBondContact O-CB 3.38Å
71	L	85.9	Confident	91.8	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.01	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-97.3	0.8	-176.1	-59	-173.9	0	0	0	113.8	W65 L66 L68 E69 L76 W79 I243	W65-L71 HydrophobicContact CZ3-CD1 4.38Å; L66-L71 HydrophobicContact CD1-CD1 3.61Å; L68-L71 HydrophobicContact CD2-CD1 4.49Å; L68-L71 PolarHBondContact O-N 2.91Å; L68-L71 VanDerWaalsContact O-N 3.14Å; E69-L71 VanDerWaalsContact C-N 3.3Å; L71-L76 HydrophobicContact CD2-CD1 4.18Å; L71-W79 HydrophobicContact CD2-CD2 3.81Å; L71-W79 HydrophobicContact CD2-CE3 4.21Å; L71-W79 HydrophobicContact CD2-CG 4.08Å; L71-W79 HydrophobicContact CD2-CZ2 4.38Å; L71-I243 HydrophobicContact CB-CD1 4.44Å; L71-I243 HydrophobicContact CD1-CD1 4.22Å
72	V	86.3	Confident	91.8	Very high	65 Å²	65	42.5 Å²	42.5	39%	0.394	22%	0.215	S	C	.	.	S	Bend	trans	-69.6	146.7	175.9	-56	0	0	0	0	110.7	E69 Y74 V75 L76	E69-V72 WeakPolarHBondContact O-CG2 3.45Å; V72-Y74 VanDerWaalsContact C-N 3.28Å; V72-Y74 PolarHBondContact O-N 3.45Å; V72-V75 HydrophobicContact CG2-CB 3.82Å; V72-V75 HydrophobicContact CG2-CG2 3.6Å; V72-V75 PolarHBondContact O-N 2.81Å; V72-L76 PolarHBondContact O-N 2.77Å
73	P	84.8	Confident	91.8	Very high	82 Å²	82	40.1 Å²	40.1	53%	0.532	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-37.8	-167.5	-33	36	0	0	0	116.7
74	Y	84	Confident	91.8	Very high	190 Å²	190	42.3 Å²	42.3	75%	0.745	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-32.3	180	-62	-74.9	0	0	0	113.6	F53 V72	F53-Y74 WeakPolarHBondContact CE2-O 3.5Å; F53-Y74 VanDerWaalsContact CZ-O 3.25Å; F53-Y74 WeakPolarHBondContact CZ-O 3.45Å; V72-Y74 VanDerWaalsContact C-N 3.28Å; V72-Y74 PolarHBondContact O-N 3.45Å
75	V	92	Very high	91.9	Very high	44 Å²	44	42.5 Å²	42.5	27%	0.267	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-17.5	-177.8	-174.9	0	0	0	0	111.1	L70 V72 D77 C78 W79	L70-V75 HydrophobicContact CD2-CG1 4Å; L70-V75 CarbonylContact O-C 3.53Å; V72-V75 HydrophobicContact CG2-CB 3.82Å; V72-V75 HydrophobicContact CG2-CG2 3.6Å; V72-V75 PolarHBondContact O-N 2.81Å; V75-D77 VanDerWaalsContact C-N 3.27Å; V75-D77 PolarHBondContact O-N 2.82Å; V75-C78 HydrophobicContact CG1-CB 4.36Å; V75-C78 WeakPolarHBondContact O-CA 3.42Å; V75-C78 WeakPolarHBondContact O-CB 3.31Å; V75-C78 PolarHBondContact O-N 2.74Å; V75-W79 PolarHBondContact O-N 2.79Å
76	L	92.1	Very high	92	Very high	4 Å²	4	43.6 Å²	43.6	2%	0.021	22%	0.22	C	C	.	.	H	α-helix	trans	-52.2	-43.2	-177.5	-170.4	62.7	0	0	0	112.8	L71 V72 C78 W79 V80 I243 T247 I248	L71-L76 HydrophobicContact CD2-CD1 4.18Å; V72-L76 PolarHBondContact O-N 2.77Å; L76-C78 VanDerWaalsContact C-N 3.3Å; L76-C78 PolarHBondContact O-N 3.33Å; L76-W79 HydrophobicContact CD1-CE3 4.41Å; L76-W79 WeakPolarHBondContact O-CB 3.23Å; L76-W79 PolarHBondContact O-N 2.96Å; L76-W79 VanDerWaalsContact O-N 3.14Å; L76-V80 WeakPolarHBondContact O-CG2 3.48Å; L76-V80 PolarHBondContact O-N 2.72Å; L76-I243 HydrophobicContact CD1-CG2 4.28Å; L76-I243 HydrophobicContact CD2-CG2 3.96Å; L76-T247 HydrophobicContact CB-CG2 4.48Å; L76-T247 HydrophobicContact CD2-CG2 3.62Å; L76-T247 HydrophobicContact CG-CG2 3.77Å; L76-I248 HydrophobicContact CD1-CD1 3.56Å; L76-I248 HydrophobicContact CD1-CG1 4.28Å; L76-I248 HydrophobicContact CD2-CG1 4.44Å; L76-I248 HydrophobicContact CG-CD1 4.3Å
77	D	94	Very high	92.3	Very high	56 Å²	56	43.7 Å²	43.7	30%	0.299	22%	0.219	S	C	.	.	H	α-helix	trans	-63.5	-36.8	177.5	-70.9	-13.9	0	0	0	112	V50 H51 V75 V80 D81 T247	V50-D77 HydrophobicContact CG2-CB 4.08Å; H51-D77 IonicContact CD2-OD2 3.35Å; H51-D77 IonicContact CE1-OD2 3.1Å; H51-D77 IonicContact NE2-OD2 3.72Å; H51-D77 PolarHBondContact NE2-OD2 2.8Å; V75-D77 VanDerWaalsContact C-N 3.27Å; V75-D77 PolarHBondContact O-N 2.82Å; D77-V80 PolarHBondContact O-N 3.42Å; D77-D81 WeakPolarHBondContact O-CB 3.5Å; D77-D81 PolarHBondContact O-N 3.37Å; D77-T247 WeakPolarHBondContact OD1-CG2 3.33Å
78	C	96.7	Very high	92.7	Very high	11 Å²	11	45.1 Å²	45.1	7%	0.074	23%	0.227	C	C	.	.	H	α-helix	trans	-65	-41.4	173.7	-48.2	0	0	0	0	111.1	F53 C54 V75 L76 N82	F53-C78 VanDerWaalsContact CE2-SG 3.54Å; C54-C78 WeakPolarHBondContact CA-SG 3.39Å; C54-C78 HydrophobicContact CB-CB 3.7Å; C54-C78 WeakPolarHBondContact CB-SG 3.49Å; C54-C78 VanDerWaalsContact SG-CA 3.52Å; C54-C78 WeakPolarHBondContact SG-CB 3.42Å; C54-C78 CovalentContact SG-SG 2.03Å; C54-C78 PolarHBondContact SG-SG 2.8Å; V75-C78 HydrophobicContact CG1-CB 4.36Å; V75-C78 WeakPolarHBondContact O-CA 3.42Å; V75-C78 WeakPolarHBondContact O-CB 3.31Å; V75-C78 PolarHBondContact O-N 2.74Å; L76-C78 VanDerWaalsContact C-N 3.3Å; L76-C78 PolarHBondContact O-N 3.33Å; C78-N82 WeakPolarHBondContact O-CB 3.27Å; C78-N82 PolarHBondContact O-N 3.44Å; C78-N82 PolarHBondContact O-ND2 2.96Å; C78-N82 VanDerWaalsContact O-ND2 3.12Å
79	W	96	Very high	93.2	Very high	6 Å²	6	48.4 Å²	48.4	2%	0.023	24%	0.241	C	C	.	.	H	α-helix	trans	-64	-47.4	176.5	179	86.7	0	0	0	111.1	L64 W65 L70 L71 V75 L76 D81 N82 M83 I248 E251	L64-W79 PolarHBondContact O-NE1 3.29Å; W65-W79 AromaticContact CE3-CZ2 3.85Å; W65-W79 HydrophobicContact CE3-CZ2 3.85Å; W65-W79 HydrophobicContact CZ3-CZ2 4.21Å; L70-W79 HydrophobicContact CB-CB 4.15Å; L70-W79 HydrophobicContact CB-CG 4.21Å; L70-W79 WeakPolarHBondContact O-CB 3.38Å; L71-W79 HydrophobicContact CD2-CD2 3.81Å; L71-W79 HydrophobicContact CD2-CE3 4.21Å; L71-W79 HydrophobicContact CD2-CG 4.08Å; L71-W79 HydrophobicContact CD2-CZ2 4.38Å; V75-W79 PolarHBondContact O-N 2.79Å; L76-W79 HydrophobicContact CD1-CE3 4.41Å; L76-W79 WeakPolarHBondContact O-CB 3.23Å; L76-W79 PolarHBondContact O-N 2.96Å; L76-W79 VanDerWaalsContact O-N 3.14Å; W79-D81 VanDerWaalsContact C-N 3.34Å; W79-D81 PolarHBondContact O-N 2.8Å; W79-N82 PolarHBondContact O-N 2.89Å; W79-M83 HydrophobicContact CD2-CB 4.2Å; W79-M83 HydrophobicContact CE3-CB 4.42Å; W79-M83 HydrophobicContact CH2-CB 4.22Å; W79-M83 HydrophobicContact CH2-CG 3.83Å; W79-M83 HydrophobicContact CZ2-CB 4.01Å; W79-M83 HydrophobicContact CZ2-CE 4.28Å; W79-M83 HydrophobicContact CZ2-CG 3.6Å; W79-M83 HydrophobicContact CZ2-SD 4.24Å; W79-M83 HydrophobicContact CZ3-CB 4.4Å; W79-M83 HydrophobicContact CZ3-CG 4.46Å; W79-M83 VanDerWaalsContact O-CB 3.26Å; W79-M83 WeakPolarHBondContact O-CB 3.43Å; W79-M83 PolarHBondContact O-N 2.9Å; W79-I248 HydrophobicContact CE3-CD1 3.87Å; W79-I248 HydrophobicContact CH2-CD1 4.27Å; W79-I248 HydrophobicContact CZ3-CD1 3.4Å; W79-E251 HydrophobicContact CH2-CG 4.05Å; W79-E251 HydrophobicContact CZ3-CB 4.19Å; W79-E251 HydrophobicContact CZ3-CG 3.8Å
80	V	95.8	Very high	93.6	Very high	14 Å²	14	45.9 Å²	45.9	9%	0.085	25%	0.246	C	C	.	.	H	α-helix	trans	-55.7	-47.7	176.4	163.7	0	0	0	0	110.9	L76 D77 N82 M83 R84 T247 I248 A250 E251	L76-V80 WeakPolarHBondContact O-CG2 3.48Å; L76-V80 PolarHBondContact O-N 2.72Å; D77-V80 PolarHBondContact O-N 3.42Å; V80-N82 PolarHBondContact O-N 2.69Å; V80-M83 PolarHBondContact O-N 2.78Å; V80-R84 VanDerWaalsContact O-CB 3.26Å; V80-R84 WeakPolarHBondContact O-CB 3.4Å; V80-R84 WeakPolarHBondContact O-CG 3.4Å; V80-R84 PolarHBondContact O-N 2.71Å; V80-T247 HydrophobicContact CG2-CG2 4.11Å; V80-I248 HydrophobicContact CG2-CD1 4.31Å; V80-A250 HydrophobicContact CG1-CB 4.08Å; V80-E251 HydrophobicContact CB-CB 4.44Å; V80-E251 HydrophobicContact CG1-CB 4.13Å; V80-E251 HydrophobicContact CG2-CB 4.14Å
81	D	97.3	Very high	93.9	Very high	16 Å²	16	48.4 Å²	48.4	9%	0.086	26%	0.263	C	S	.	.	H	α-helix	trans	-70.2	-16.8	-179.7	-172.2	48.9	0	0	0	113.9	K46 V50 D77 W79 R84 S97	K46-D81 WeakPolarHBondContact CE-OD2 3.38Å; K46-D81 PolarHBondContact NZ-O 3.21Å; K46-D81 IonicContact NZ-OD1 3.83Å; K46-D81 IonicContact NZ-OD2 2.82Å; K46-D81 PolarHBondContact NZ-OD2 3.22Å; V50-D81 HydrophobicContact CG1-CB 3.83Å; V50-D81 HydrophobicContact CG2-CB 4.27Å; D77-D81 WeakPolarHBondContact O-CB 3.5Å; D77-D81 PolarHBondContact O-N 3.37Å; W79-D81 VanDerWaalsContact C-N 3.34Å; W79-D81 PolarHBondContact O-N 2.8Å; D81-R84 IonicContact OD1-CZ 2.58Å; D81-R84 IonicContact OD1-NE 2.53Å; D81-R84 PolarHBondContact OD1-NE 3.41Å; D81-R84 IonicContact OD1-NH2 3.3Å; D81-R84 PolarHBondContact OD1-NH2 3.45Å; D81-S97 VanDerWaalsContact O-CB 3.31Å; D81-S97 WeakPolarHBondContact O-CB 3.37Å; D81-S97 PolarHBondContact O-OG 3.25Å
82	N	97.8	Very high	94.2	Very high	12 Å²	12	48.6 Å²	48.6	6%	0.064	27%	0.266	C	S	.	.	H	α-helix	trans	-92.1	-37.7	174.1	-69.2	-24	0	0	0	112.5	L44 K46 L64 C78 W79 V80	L44-N82 HydrophobicContact CD2-CB 4.47Å; K46-N82 VanDerWaalsContact CD-OD1 3.31Å; K46-N82 WeakPolarHBondContact CD-OD1 3.31Å; K46-N82 PolarHBondContact NZ-OD1 2.97Å; L64-N82 HydrophobicContact CD1-CB 4.02Å; L64-N82 HydrophobicContact CD2-CB 4.4Å; C78-N82 WeakPolarHBondContact O-CB 3.27Å; C78-N82 PolarHBondContact O-N 3.44Å; C78-N82 PolarHBondContact O-ND2 2.96Å; C78-N82 VanDerWaalsContact O-ND2 3.12Å; W79-N82 PolarHBondContact O-N 2.89Å; V80-N82 PolarHBondContact O-N 2.69Å
83	M	97.4	Very high	94.6	Very high	1 Å²	1	49 Å²	49	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-82	-34.1	-174	-171.2	68.6	169.5	0	0	112.6	L40 L64 W65 W79 V80 F152 R153 E251 M255	L40-M83 HydrophobicContact CD1-CE 4.41Å; L40-M83 HydrophobicContact CD2-SD 4.38Å; L64-M83 HydrophobicContact CD2-CB 4.31Å; L64-M83 HydrophobicContact CD2-SD 3.75Å; L64-M83 HydrophobicContact CG-SD 4.01Å; W65-M83 HydrophobicContact CB-CE 4.26Å; W79-M83 HydrophobicContact CD2-CB 4.2Å; W79-M83 HydrophobicContact CE3-CB 4.42Å; W79-M83 HydrophobicContact CH2-CB 4.22Å; W79-M83 HydrophobicContact CH2-CG 3.83Å; W79-M83 HydrophobicContact CZ2-CB 4.01Å; W79-M83 HydrophobicContact CZ2-CE 4.28Å; W79-M83 HydrophobicContact CZ2-CG 3.6Å; W79-M83 HydrophobicContact CZ2-SD 4.24Å; W79-M83 HydrophobicContact CZ3-CB 4.4Å; W79-M83 HydrophobicContact CZ3-CG 4.46Å; W79-M83 VanDerWaalsContact O-CB 3.26Å; W79-M83 WeakPolarHBondContact O-CB 3.43Å; W79-M83 PolarHBondContact O-N 2.9Å; V80-M83 PolarHBondContact O-N 2.78Å; M83-F152 HydrophobicContact CE-CE2 3.62Å; M83-F152 HydrophobicContact CE-CZ 3.57Å; M83-R153 HydrophobicContact CE-CG 3.94Å; M83-R153 WeakPolarHBondContact O-CD 3.3Å; M83-R153 PolarHBondContact O-NH1 3.41Å; M83-E251 HydrophobicContact CB-CG 3.81Å; M83-E251 HydrophobicContact CG-CG 3.8Å; M83-E251 VanDerWaalsContact CG-OE1 3.3Å; M83-E251 WeakPolarHBondContact CG-OE1 3.45Å; M83-M255 HydrophobicContact CE-CE 4.47Å
84	R	97.2	Very high	95.1	Very high	77 Å²	77	45.6 Å²	45.6	29%	0.291	25%	0.246	S	C	.	.			trans	-57	146.7	-177.5	74.1	-176.6	178	88.2	-0.2	112.1	V80 D81 S97 E251 T254	V80-R84 VanDerWaalsContact O-CB 3.26Å; V80-R84 WeakPolarHBondContact O-CB 3.4Å; V80-R84 WeakPolarHBondContact O-CG 3.4Å; V80-R84 PolarHBondContact O-N 2.71Å; D81-R84 IonicContact OD1-CZ 2.58Å; D81-R84 IonicContact OD1-NE 2.53Å; D81-R84 PolarHBondContact OD1-NE 3.41Å; D81-R84 IonicContact OD1-NH2 3.3Å; D81-R84 PolarHBondContact OD1-NH2 3.45Å; R84-S97 WeakPolarHBondContact CG-OG 3.47Å; R84-S97 PolarHBondContact O-N 3.13Å; R84-S97 PolarHBondContact O-OG 3.41Å; R84-E251 HydrophobicContact CB-CG 4.45Å; R84-T254 WeakPolarHBondContact CA-OG1 3.47Å; R84-T254 HydrophobicContact CB-CG2 4.14Å
85	M	97.6	Very high	95.7	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.015	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	158.5	172.5	-63.6	-161.3	-60.4	0	0	111.4	T94 S95 R153 R154 T254	M85-T94 HydrophobicContact CE-CG2 3.85Å; M85-T94 HydrophobicContact SD-CG2 4.34Å; M85-S95 WeakPolarHBondContact CA-O 3.39Å; M85-R153 HydrophobicContact CE-CB 3.81Å; M85-R153 WeakPolarHBondContact CE-O 3.23Å; M85-R153 HydrophobicContact CG-CB 4.34Å; M85-R153 HydrophobicContact SD-CB 3.74Å; M85-R154 HydrophobicContact CE-CG 4.24Å; M85-R154 HydrophobicContact SD-CG 3.8Å; M85-T254 VanDerWaalsContact CE-O 3.24Å; M85-T254 WeakPolarHBondContact CE-O 3.22Å; M85-T254 PolarHBondContact N-OG1 2.68Å; M85-T254 WeakPolarHBondContact O-CB 3.5Å; M85-T254 WeakPolarHBondContact O-CG2 3.42Å
86	V	97.5	Very high	96	Very high	52 Å²	52	39 Å²	39	32%	0.315	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	117.8	170	-179.7	0	0	0	0	107.4	T94 S95	V86-T94 CarbonylContact O-C 3.54Å; V86-T94 VanDerWaalsContact O-CA 3.32Å; V86-T94 WeakPolarHBondContact O-CA 3.46Å; V86-S95 PolarHBondContact N-O 3.01Å; V86-S95 PolarHBondContact O-N 3.08Å
87	Y	97.5	Very high	96.2	Very high	15 Å²	15	38.9 Å²	38.9	6%	0.059	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	128	174.4	-171.6	-101.5	0	0	0	109.7	E89 G92 T94 T256 Q298 A301 M302 N305	Y87-E89 HydrophobicContact CD1-CG 3.75Å; Y87-E89 HydrophobicContact CE1-CB 4.37Å; Y87-E89 HydrophobicContact CE1-CG 3.78Å; Y87-G92 WeakPolarHBondContact OH-CA 3.37Å; Y87-T94 HydrophobicContact CD2-CG2 3.7Å; Y87-T94 HydrophobicContact CE2-CG2 4.48Å; Y87-T256 HydrophobicContact CD2-CG2 3.89Å; Y87-T256 HydrophobicContact CE2-CG2 3.97Å; Y87-Q298 HydrophobicContact CD1-CG 3.87Å; Y87-Q298 HydrophobicContact CG-CG 4.45Å; Y87-Q298 PolarHBondContact O-NE2 2.92Å; Y87-A301 HydrophobicContact CE1-CB 3.98Å; Y87-M302 HydrophobicContact CD1-CG 3.89Å; Y87-M302 HydrophobicContact CD2-CG 3.74Å; Y87-M302 HydrophobicContact CE1-CG 3.94Å; Y87-M302 HydrophobicContact CE2-CG 3.83Å; Y87-M302 HydrophobicContact CG-CG 3.79Å; Y87-M302 HydrophobicContact CG-SD 4.37Å; Y87-N305 WeakPolarHBondContact OH-CB 3.45Å; Y87-N305 PolarHBondContact OH-ND2 3.21Å
88	D	96.6	Very high	96.4	Very high	68 Å²	68	40.3 Å²	40.3	36%	0.364	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	111.2	172.6	172.5	0.9	0	0	0	108.5	A90 T91 G92 T93	D88-A90 VanDerWaalsContact C-N 3.3Å; D88-A90 PolarHBondContact O-N 3.15Å; D88-A90 WeakPolarHBondContact OD1-CB 3.38Å; D88-A90 PolarHBondContact OD1-N 3.18Å; D88-T91 WeakPolarHBondContact CB-OG1 3.26Å; D88-T91 PolarHBondContact OD1-N 2.95Å; D88-T91 VanDerWaalsContact OD2-CG2 3.25Å; D88-T91 WeakPolarHBondContact OD2-CG2 3.43Å; D88-T91 PolarHBondContact OD2-OG1 2.86Å; D88-G92 CarbonylContact O-C 3.59Å; D88-G92 WeakPolarHBondContact O-CA 3.04Å; D88-G92 PolarHBondContact O-N 3.4Å; D88-T93 PolarHBondContact N-O 3.21Å; D88-T93 PolarHBondContact O-N 3.13Å
89	E	94.7	Very high	96.5	Very high	115 Å²	115	41.4 Å²	41.4	54%	0.537	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-26.6	-177.8	-64.3	-173.2	-152.4	0	0	113.1	Y87 A301	Y87-E89 HydrophobicContact CD1-CG 3.75Å; Y87-E89 HydrophobicContact CE1-CB 4.37Å; Y87-E89 HydrophobicContact CE1-CG 3.78Å; E89-A301 HydrophobicContact CG-CB 4.08Å
90	A	95.2	Very high	96.6	Very high	98 Å²	98	41.5 Å²	41.5	81%	0.81	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-40.5	-179	0	0	0	0	0	111.4	D88	D88-A90 VanDerWaalsContact C-N 3.3Å; D88-A90 PolarHBondContact O-N 3.15Å; D88-A90 WeakPolarHBondContact OD1-CB 3.38Å; D88-A90 PolarHBondContact OD1-N 3.18Å
91	T	94.7	Very high	96.7	Very high	85 Å²	85	44 Å²	44	52%	0.521	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-17	176.2	61.8	0	0	0	0	112.7	D88 T93	D88-T91 WeakPolarHBondContact CB-OG1 3.26Å; D88-T91 PolarHBondContact OD1-N 2.95Å; D88-T91 VanDerWaalsContact OD2-CG2 3.25Å; D88-T91 WeakPolarHBondContact OD2-CG2 3.43Å; D88-T91 PolarHBondContact OD2-OG1 2.86Å; T91-T93 PolarHBondContact O-N 3.27Å; T91-T93 PolarHBondContact OG1-N 2.98Å; T91-T93 PolarHBondContact OG1-OG1 3.26Å
92	G	93.5	Very high	96.8	Very high	7 Å²	7	44.6 Å²	44.6	7%	0.072	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.3	17.9	-172	0	0	0	0	0	113.4	Y87 D88 H158 N305	Y87-G92 WeakPolarHBondContact OH-CA 3.37Å; D88-G92 CarbonylContact O-C 3.59Å; D88-G92 WeakPolarHBondContact O-CA 3.04Å; D88-G92 PolarHBondContact O-N 3.4Å; G92-H158 PolarHBondContact O-CE1 2.72Å; G92-H158 PolarHBondContact O-NE2 3.3Å; G92-N305 PolarHBondContact O-ND2 3.23Å
93	T	94.1	Very high	96.8	Very high	73 Å²	73	49.9 Å²	49.9	45%	0.448	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	167	-173.7	69.4	0	0	0	0	112.9	D88 T91	D88-T93 PolarHBondContact N-O 3.21Å; D88-T93 PolarHBondContact O-N 3.13Å; T91-T93 PolarHBondContact O-N 3.27Å; T91-T93 PolarHBondContact OG1-N 2.98Å; T91-T93 PolarHBondContact OG1-OG1 3.26Å
94	T	95.6	Very high	96.8	Very high	10 Å²	10	52.2 Å²	52.2	6%	0.061	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	136.4	176.7	49.5	0	0	0	0	111.8	M85 V86 Y87 R154 H158 T256	M85-T94 HydrophobicContact CE-CG2 3.85Å; M85-T94 HydrophobicContact SD-CG2 4.34Å; V86-T94 CarbonylContact O-C 3.54Å; V86-T94 VanDerWaalsContact O-CA 3.32Å; V86-T94 WeakPolarHBondContact O-CA 3.46Å; Y87-T94 HydrophobicContact CD2-CG2 3.7Å; Y87-T94 HydrophobicContact CE2-CG2 4.48Å; T94-R154 PolarHBondContact O-NH2 3.11Å; T94-H158 PolarHBondContact OG1-ND1 2.68Å; T94-T256 HydrophobicContact CG2-CG2 3.54Å
95	S	96.9	Very high	96.8	Very high	62 Å²	62	49.5 Å²	49.5	43%	0.434	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	164.6	168	60.6	0	0	0	0	111.2	M85 V86	M85-S95 WeakPolarHBondContact CA-O 3.39Å; V86-S95 PolarHBondContact N-O 3.01Å; V86-S95 PolarHBondContact O-N 3.08Å
96	N	97.7	Very high	96.8	Very high	33 Å²	33	50.6 Å²	50.6	18%	0.176	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	164	171.1	-70.9	-24.2	0	0	0	110.4	V100 T102 R153	N96-V100 HydrophobicContact CB-CB 4.39Å; N96-V100 WeakPolarHBondContact CB-O 3.19Å; N96-V100 PolarHBondContact ND2-O 3.31Å; N96-V100 VanDerWaalsContact ND2-O 3.13Å; N96-T102 PolarHBondContact ND2-N 3.42Å; N96-T102 PolarHBondContact ND2-OG1 3.3Å; N96-T102 PolarHBondContact OD1-OG1 3.16Å; N96-R153 PolarHBondContact OD1-NH2 3.4Å
97	S	97.4	Very high	96.8	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.014	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-53.6	144.6	168.2	-74.1	0	0	0	0	112.2	D81 R84 G99 V100	D81-S97 VanDerWaalsContact O-CB 3.31Å; D81-S97 WeakPolarHBondContact O-CB 3.37Å; D81-S97 PolarHBondContact O-OG 3.25Å; R84-S97 WeakPolarHBondContact CG-OG 3.47Å; R84-S97 PolarHBondContact O-N 3.13Å; R84-S97 PolarHBondContact O-OG 3.41Å; S97-G99 PolarHBondContact O-N 2.63Å; S97-V100 WeakPolarHBondContact O-CB 3.38Å; S97-V100 PolarHBondContact O-N 2.84Å
98	P	97.7	Very high	96.8	Very high	87 Å²	87	51 Å²	51	57%	0.565	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	129.7	-179.5	-28.3	35.5	0	0	0	112.2	V100	P98-V100 VanDerWaalsContact C-N 3.31Å
99	G	98	Very high	96.8	Very high	33 Å²	33	51.1 Å²	51.1	34%	0.34	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	5.5	-176.7	0	0	0	0	0	115.2	L44 N45 S97	L44-G99 CarbonylContact C-O 3.56Å; N45-G99 CarbonylContact C-O 3.55Å; N45-G99 PolarHBondContact N-O 2.74Å; N45-G99 WeakPolarHBondContact O-CA 3.44Å; S97-G99 PolarHBondContact O-N 2.63Å
100	V	98.6	Very high	96.9	Very high	9 Å²	9	45.6 Å²	45.6	6%	0.055	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	117.5	178.7	-173.5	0	0	0	0	110.7	A42 L44 K46 N96 S97 P98 T102	A42-V100 HydrophobicContact CB-CG1 4.17Å; L44-V100 HydrophobicContact CD2-CG1 4.12Å; L44-V100 HydrophobicContact CD2-CG2 4.04Å; K46-V100 HydrophobicContact CD-CG2 4.27Å; K46-V100 HydrophobicContact CG-CG2 4.28Å; N96-V100 HydrophobicContact CB-CB 4.39Å; N96-V100 WeakPolarHBondContact CB-O 3.19Å; N96-V100 PolarHBondContact ND2-O 3.31Å; N96-V100 VanDerWaalsContact ND2-O 3.13Å; S97-V100 WeakPolarHBondContact O-CB 3.38Å; S97-V100 PolarHBondContact O-N 2.84Å; P98-V100 VanDerWaalsContact C-N 3.31Å; V100-T102 HydrophobicContact CG1-CG2 4.08Å
101	T	98.4	Very high	96.9	Very high	67 Å²	67	43.4 Å²	43.4	41%	0.411	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	131.4	168.6	-56.2	0	0	0	0	108.8	A42 R43 F61	A42-T101 CarbonylContact C-O 3.52Å; A42-T101 WeakPolarHBondContact CA-O 3.48Å; R43-T101 PolarHBondContact N-O 3.31Å; R43-T101 PolarHBondContact O-N 2.76Å; F61-T101 HydrophobicContact CE1-CG2 4.16Å; F61-T101 HydrophobicContact CZ-CG2 3.88Å
102	T	98.3	Very high	97	Very high	27 Å²	27	39.6 Å²	39.6	17%	0.166	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	153.4	176.8	58.9	0	0	0	0	111.5	L40 E41 A42 N96 V100 R153	L40-T102 HydrophobicContact CD2-CG2 3.95Å; E41-T102 CarbonylContact O-C 3.45Å; E41-T102 VanDerWaalsContact O-CA 3.22Å; E41-T102 WeakPolarHBondContact O-CA 3.39Å; A42-T102 HydrophobicContact CB-CG2 4.3Å; N96-T102 PolarHBondContact ND2-N 3.42Å; N96-T102 PolarHBondContact ND2-OG1 3.3Å; N96-T102 PolarHBondContact OD1-OG1 3.16Å; V100-T102 HydrophobicContact CG1-CG2 4.08Å; T102-R153 PolarHBondContact OG1-NH2 3.25Å
103	R	97.9	Very high	97.1	Very high	123 Å²	123	39.2 Å²	39.2	46%	0.464	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	156.5	170.4	71.9	-178	-172.4	-174.7	0	111	E41 F61	E41-R103 HydrophobicContact CB-CG 3.91Å; E41-R103 PolarHBondContact N-O 3.43Å; E41-R103 PolarHBondContact O-N 2.78Å; E41-R103 IonicContact OE2-CZ 2.73Å; E41-R103 IonicContact OE2-NE 3.27Å; E41-R103 PolarHBondContact OE2-NE 2.89Å; E41-R103 IonicContact OE2-NH2 2.91Å; E41-R103 PolarHBondContact OE2-NH2 3.05Å; F61-R103 HydrophobicContact CD1-CG 3.72Å; F61-R103 HydrophobicContact CE1-CB 4.12Å; F61-R103 HydrophobicContact CE1-CG 3.71Å; F61-R103 HydrophobicContact CG-CG 4.37Å; F61-R103 HydrophobicContact CZ-CG 4.36Å
104	I	98.2	Very high	97.3	Very high	50 Å²	50	36 Å²	36	26%	0.256	21%	0.212	S	C	.	.			trans	-108.1	109.5	179.7	-51.2	-57.1	0	0	0	109.3	L40 P149 D151	L40-I104 HydrophobicContact CB-CD1 4.26Å; L40-I104 HydrophobicContact CD1-CD1 3.98Å; L40-I104 HydrophobicContact CG-CD1 3.94Å; I104-P149 HydrophobicContact CG2-CB 3.69Å; I104-P149 HydrophobicContact CG2-CG 4.04Å; I104-D151 HydrophobicContact CD1-CB 3.95Å; I104-D151 HydrophobicContact CG1-CB 4.21Å
105	P	97.8	Very high	97.2	Very high	20 Å²	20	38.1 Å²	38.1	13%	0.13	22%	0.219	C	C	.	.			trans	-81.3	165.9	-177.6	33.9	-37.1	0	0	0	113	Q39 E41 T112 P149	Q39-P105 HydrophobicContact CB-CG 3.88Å; E41-P105 HydrophobicContact CG-CG 4.05Å; E41-P105 WeakPolarHBondContact OE1-CB 3.24Å; P105-T112 HydrophobicContact CB-CG2 4.19Å; P105-T112 HydrophobicContact CG-CG2 4.01Å; P105-T112 PolarHBondContact O-OG1 3.15Å; P105-T112 VanDerWaalsContact O-OG1 3.12Å; P105-P149 VanDerWaalsContact O-CG 3.32Å; P105-P149 WeakPolarHBondContact O-CG 3.4Å
106	G	96.7	Very high	97	Very high	26 Å²	26	36.1 Å²	36.1	27%	0.268	20%	0.203	S	C	.	.			trans	78.1	19	168	0	0	0	0	0	116.1	G108 N109	G106-G108 PolarHBondContact O-N 3.43Å; G106-N109 PolarHBondContact O-N 2.7Å
107	W	97.5	Very high	96.6	Very high	73 Å²	73	35.1 Å²	35.1	28%	0.277	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	122.9	179	-175.3	-101.7	0	0	0	112.8	N109 A148 P149 F162 K165 L169	W107-N109 PolarHBondContact O-N 2.89Å; W107-A148 HydrophobicContact CH2-CB 4.04Å; W107-A148 HydrophobicContact CZ3-CB 4.05Å; W107-P149 HydrophobicContact CE3-CG 4.48Å; W107-P149 WeakPolarHBondContact CZ3-O 2.83Å; W107-F162 AromaticContact CH2-CD2 3.83Å; W107-F162 HydrophobicContact CH2-CD2 3.83Å; W107-F162 AromaticContact CH2-CE2 3.83Å; W107-F162 HydrophobicContact CH2-CE2 3.83Å; W107-F162 AromaticContact CZ3-CD2 3.6Å; W107-F162 HydrophobicContact CZ3-CD2 3.6Å; W107-F162 AromaticContact CZ3-CE2 3.66Å; W107-F162 HydrophobicContact CZ3-CE2 3.66Å; W107-K165 VanDerWaalsContact CD2-NZ 3.34Å; W107-K165 VanDerWaalsContact CG-NZ 3.31Å; W107-K165 HydrophobicContact CH2-CB 3.81Å; W107-K165 VanDerWaalsContact CZ2-C 3.49Å; W107-K165 HydrophobicContact CZ2-CB 3.46Å; W107-K165 VanDerWaalsContact CZ2-CB 3.46Å; W107-K165 WeakPolarHBondContact CZ2-O 3.4Å; W107-L169 HydrophobicContact CZ2-CB 3.91Å; W107-L169 HydrophobicContact CZ2-CD1 4.33Å; W107-L169 HydrophobicContact CZ2-CD2 4.22Å; W107-L169 HydrophobicContact CZ2-CG 4.4Å
108	G	96.8	Very high	96.2	Very high	4 Å²	4	37.9 Å²	37.9	4%	0.041	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	-18	-179.5	0	0	0	0	0	114.7	G106 G142 R146 G147	G106-G108 PolarHBondContact O-N 3.43Å; G108-G142 WeakPolarHBondContact O-CA 3.44Å; G108-R146 WeakPolarHBondContact O-CA 3.47Å; G108-R146 WeakPolarHBondContact O-CB 3.37Å; G108-G147 VanDerWaalsContact CA-O 3.23Å; G108-G147 WeakPolarHBondContact CA-O 3.44Å; G108-G147 PolarHBondContact N-O 3.49Å
109	N	96.5	Very high	95.6	Very high	69 Å²	69	37 Å²	37	37%	0.369	21%	0.211	S	C	.	.	S	Bend	trans	-87.2	167.7	168.5	-161.9	-7.3	0	0	0	109.7	G106 W107 G147	G106-N109 PolarHBondContact O-N 2.7Å; W107-N109 PolarHBondContact O-N 2.89Å; N109-G147 WeakPolarHBondContact O-CA 3.24Å; N109-G147 PolarHBondContact O-N 3.33Å
110	T	97.1	Very high	94.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.222	C	C	.	.	S	Bend	trans	-101.5	-17.5	178.3	54.5	0	0	0	0	112.8	T112 I113 E114 V131 R141 V145	T110-T112 VanDerWaalsContact C-N 3.28Å; T110-T112 PolarHBondContact O-N 3.39Å; T110-T112 VanDerWaalsContact O-N 3.09Å; T110-I113 WeakPolarHBondContact O-CG1 3.25Å; T110-I113 PolarHBondContact O-N 3.23Å; T110-E114 WeakPolarHBondContact CB-OE1 3.32Å; T110-E114 VanDerWaalsContact O-CG 3.3Å; T110-E114 WeakPolarHBondContact O-CG 3.5Å; T110-E114 PolarHBondContact O-N 3.12Å; T110-E114 PolarHBondContact OG1-OE1 2.93Å; T110-V131 HydrophobicContact CG2-CG1 4.29Å; T110-V131 HydrophobicContact CG2-CG2 4.29Å; T110-R141 WeakPolarHBondContact OG1-CD 3.15Å; T110-R141 WeakPolarHBondContact OG1-CG 3.39Å; T110-V145 HydrophobicContact CG2-CG1 4.28Å; T110-V145 HydrophobicContact CG2-CG2 4.11Å; T110-V145 WeakPolarHBondContact CG2-O 3.41Å
111	S	95.9	Very high	93.7	Very high	51 Å²	51	45.1 Å²	45.1	36%	0.357	24%	0.243	S	C	.	.	H	α-helix	trans	-53.7	-39.5	-170.4	58.4	0	0	0	0	114.7	Y115	S111-Y115 PolarHBondContact O-N 3.42Å
112	T	96.4	Very high	92.2	Very high	5 Å²	5	44.9 Å²	44.9	3%	0.031	25%	0.254	C	S	.	.	H	α-helix	trans	-83.3	-10.4	-176	58	0	0	0	0	114.3	N38 Q39 P105 T110	N38-T112 VanDerWaalsContact CA-O 3.28Å; N38-T112 WeakPolarHBondContact CA-O 3.42Å; Q39-T112 HydrophobicContact CB-CG2 4.32Å; Q39-T112 HydrophobicContact CG-CG2 4.49Å; Q39-T112 PolarHBondContact N-O 2.84Å; Q39-T112 VanDerWaalsContact N-O 3.1Å; P105-T112 HydrophobicContact CB-CG2 4.19Å; P105-T112 HydrophobicContact CG-CG2 4.01Å; P105-T112 PolarHBondContact O-OG1 3.15Å; P105-T112 VanDerWaalsContact O-OG1 3.12Å; T110-T112 VanDerWaalsContact C-N 3.28Å; T110-T112 PolarHBondContact O-N 3.39Å; T110-T112 VanDerWaalsContact O-N 3.09Å
113	I	96.8	Very high	91	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-102.6	-24.7	169.9	68.1	164.8	0	0	0	111.6	C31 P33 N38 T110 Y126 F127 P149	C31-I113 HydrophobicContact CB-CD1 3.68Å; P33-I113 HydrophobicContact CB-CG2 4.29Å; P33-I113 HydrophobicContact CG-CG2 3.97Å; N38-I113 HydrophobicContact CB-CG2 4Å; T110-I113 WeakPolarHBondContact O-CG1 3.25Å; T110-I113 PolarHBondContact O-N 3.23Å; I113-Y126 WeakPolarHBondContact O-CB 3.4Å; I113-Y126 WeakPolarHBondContact O-CD1 3.47Å; I113-F127 HydrophobicContact CB-CB 4.49Å; I113-F127 HydrophobicContact CB-CD2 4.48Å; I113-F127 HydrophobicContact CD1-CB 4.14Å; I113-F127 HydrophobicContact CD1-CD1 3.85Å; I113-F127 HydrophobicContact CD1-CD2 4.43Å; I113-F127 HydrophobicContact CD1-CE1 4.37Å; I113-F127 HydrophobicContact CD1-CG 3.89Å; I113-F127 HydrophobicContact CG1-CB 4.08Å; I113-F127 HydrophobicContact CG1-CG 4.25Å; I113-F127 WeakPolarHBondContact O-CB 3.47Å; I113-F127 PolarHBondContact O-N 2.9Å; I113-P149 HydrophobicContact CG2-CB 4.13Å
114	E	96.7	Very high	90.1	Very high	6 Å²	6	42.1 Å²	42.1	3%	0.028	24%	0.241	C	C	.	.	H	α-helix	trans	-68.4	-47.2	174.9	-74	-180	-93.4	0	0	110.7	T110 Y126 F127 A128 V131 R141	T110-E114 WeakPolarHBondContact CB-OE1 3.32Å; T110-E114 VanDerWaalsContact O-CG 3.3Å; T110-E114 WeakPolarHBondContact O-CG 3.5Å; T110-E114 PolarHBondContact O-N 3.12Å; T110-E114 PolarHBondContact OG1-OE1 2.93Å; E114-Y126 PolarHBondContact O-N 3.09Å; E114-F127 HydrophobicContact CG-CB 4.47Å; E114-A128 HydrophobicContact CB-CB 4.01Å; E114-A128 HydrophobicContact CG-CB 4.49Å; E114-A128 PolarHBondContact O-N 3.45Å; E114-V131 HydrophobicContact CG-CB 3.91Å; E114-V131 HydrophobicContact CG-CG1 4.18Å; E114-V131 HydrophobicContact CG-CG2 3.87Å; E114-V131 WeakPolarHBondContact OE2-CG1 3.31Å; E114-R141 VanDerWaalsContact CD-NE 3.35Å; E114-R141 WeakPolarHBondContact OE1-CD 3.07Å; E114-R141 IonicContact OE1-NE 3.41Å; E114-R141 PolarHBondContact OE1-NE 2.83Å; E114-R141 IonicContact OE2-CZ 3.49Å; E114-R141 VanDerWaalsContact OE2-CZ 3.27Å; E114-R141 IonicContact OE2-NE 3.09Å; E114-R141 PolarHBondContact OE2-NE 3.48Å; E114-R141 IonicContact OE2-NH2 2.67Å; E114-R141 PolarHBondContact OE2-NH2 3.35Å
115	Y	95.1	Very high	89.8	Confident	54 Å²	54	42.4 Å²	42.4	21%	0.212	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-127.2	108.5	178.8	-57.5	-88	0	0	0	110	Q39 S111 D117 K120 G124 V125 A128	Q39-Y115 PolarHBondContact NE2-O 2.73Å; S111-Y115 PolarHBondContact O-N 3.42Å; Y115-D117 VanDerWaalsContact C-N 3.32Å; Y115-K120 HydrophobicContact CD1-CB 3.72Å; Y115-K120 HydrophobicContact CD1-CD 4.42Å; Y115-K120 HydrophobicContact CD1-CG 3.8Å; Y115-K120 HydrophobicContact CD2-CD 4.21Å; Y115-K120 HydrophobicContact CD2-CG 4.15Å; Y115-K120 HydrophobicContact CE1-CB 3.91Å; Y115-K120 HydrophobicContact CE1-CD 4.39Å; Y115-K120 HydrophobicContact CE1-CG 4.17Å; Y115-K120 HydrophobicContact CE2-CD 4.21Å; Y115-K120 HydrophobicContact CG-CB 4.23Å; Y115-K120 HydrophobicContact CG-CD 4.32Å; Y115-K120 HydrophobicContact CG-CG 3.78Å; Y115-G124 CarbonylContact C-O 3.56Å; Y115-G124 VanDerWaalsContact CA-O 3.27Å; Y115-G124 WeakPolarHBondContact CA-O 3.34Å; Y115-V125 HydrophobicContact CD1-CG2 4.14Å; Y115-V125 HydrophobicContact CE1-CG2 3.97Å; Y115-A128 HydrophobicContact CE1-CB 4.08Å; Y115-A128 HydrophobicContact CE2-CB 3.93Å
116	I	91.4	Very high	89.6	Confident	19 Å²	19	42.4 Å²	42.4	10%	0.097	24%	0.243	C	C	.	.	S	Bend	trans	-71.7	-32.3	177.6	-51.6	166.1	0	0	0	110	G36 Q39 W65 L66 G124 Y126	G36-I116 WeakPolarHBondContact O-CD1 3.48Å; G36-I116 WeakPolarHBondContact O-CG2 3.28Å; Q39-I116 WeakPolarHBondContact CG-O 3.43Å; W65-I116 VanDerWaalsContact NE1-CG2 3.3Å; L66-I116 HydrophobicContact CB-CB 4.33Å; L66-I116 HydrophobicContact CB-CG2 3.68Å; L66-I116 PolarHBondContact N-O 3.25Å; I116-G124 PolarHBondContact N-O 2.93Å; I116-Y126 HydrophobicContact CD1-CD1 4Å; I116-Y126 HydrophobicContact CD1-CD2 4.39Å; I116-Y126 HydrophobicContact CD1-CG 3.82Å; I116-Y126 HydrophobicContact CG1-CD1 4.29Å; I116-Y126 HydrophobicContact CG1-CG 4.33Å
117	D	89.9	Confident	89.6	Confident	13 Å²	13	41.1 Å²	41.1	7%	0.07	23%	0.23	C	C	.	.	S	Bend	trans	-93.7	118	167.4	-177.4	-10.5	0	0	0	109.8	L66 Y115 S119 K120	L66-D117 HydrophobicContact CB-CB 4.3Å; L66-D117 HydrophobicContact CD2-CB 4.16Å; L66-D117 HydrophobicContact CG-CB 4.29Å; Y115-D117 VanDerWaalsContact C-N 3.32Å; D117-S119 PolarHBondContact O-N 3.29Å; D117-S119 VanDerWaalsContact O-N 3.11Å; D117-S119 VanDerWaalsContact OD1-CB 3.26Å; D117-S119 WeakPolarHBondContact OD1-CB 3.26Å; D117-S119 PolarHBondContact OD1-N 3.24Å; D117-S119 PolarHBondContact OD1-OG 2.9Å; D117-S119 PolarHBondContact OD2-OG 3.12Å; D117-K120 PolarHBondContact O-N 3.06Å
118	P	87.6	Confident	89.6	Confident	60 Å²	60	37.8 Å²	37.8	39%	0.39	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-24.7	175.3	-24	31.5	0	0	0	115.1	T63 L66 K120	T63-P118 HydrophobicContact CG2-CG 3.85Å; L66-P118 WeakPolarHBondContact O-CD 3.35Å; P118-K120 PolarHBondContact O-N 2.9Å
119	S	86.3	Confident	89.5	Confident	67 Å²	67	40.6 Å²	40.6	47%	0.469	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-19.1	176.7	79.1	0	0	0	0	112.9	D117 V121	D117-S119 PolarHBondContact O-N 3.29Å; D117-S119 VanDerWaalsContact O-N 3.11Å; D117-S119 VanDerWaalsContact OD1-CB 3.26Å; D117-S119 WeakPolarHBondContact OD1-CB 3.26Å; D117-S119 PolarHBondContact OD1-N 3.24Å; D117-S119 PolarHBondContact OD1-OG 2.9Å; D117-S119 PolarHBondContact OD2-OG 3.12Å; S119-V121 PolarHBondContact O-N 2.01Å; S119-V121 VanDerWaalsContact O-N 3.12Å; S119-V121 WeakPolarHBondContact OG-CB 3.49Å; S119-V121 WeakPolarHBondContact OG-CG2 3.26Å; S119-V121 PolarHBondContact OG-N 3.26Å
120	K	83.5	Confident	89.6	Confident	134 Å²	134	37.3 Å²	37.3	58%	0.583	21%	0.214	S	C	*	.			trans	57.5	15.7	-173.1	-51.1	-177.1	-177.5	174.2	0	114	Y115 D117 P118	Y115-K120 HydrophobicContact CD1-CB 3.72Å; Y115-K120 HydrophobicContact CD1-CD 4.42Å; Y115-K120 HydrophobicContact CD1-CG 3.8Å; Y115-K120 HydrophobicContact CD2-CD 4.21Å; Y115-K120 HydrophobicContact CD2-CG 4.15Å; Y115-K120 HydrophobicContact CE1-CB 3.91Å; Y115-K120 HydrophobicContact CE1-CD 4.39Å; Y115-K120 HydrophobicContact CE1-CG 4.17Å; Y115-K120 HydrophobicContact CE2-CD 4.21Å; Y115-K120 HydrophobicContact CG-CB 4.23Å; Y115-K120 HydrophobicContact CG-CD 4.32Å; Y115-K120 HydrophobicContact CG-CG 3.78Å; D117-K120 PolarHBondContact O-N 3.06Å; P118-K120 PolarHBondContact O-N 2.9Å
121	V	73.4	Confident	89.6	Confident	79 Å²	79	37.3 Å²	37.3	48%	0.479	21%	0.214	S	C	.	.			trans	-68.4	140.7	170.4	179.1	0	0	0	0	108	S119 Y123 G124	S119-V121 PolarHBondContact O-N 2.01Å; S119-V121 VanDerWaalsContact O-N 3.12Å; S119-V121 WeakPolarHBondContact OG-CB 3.49Å; S119-V121 WeakPolarHBondContact OG-CG2 3.26Å; S119-V121 PolarHBondContact OG-N 3.26Å; V121-Y123 HydrophobicContact CG1-CD2 4.16Å; V121-Y123 HydrophobicContact CG1-CE2 4.4Å; V121-Y123 PolarHBondContact O-N 3.37Å; V121-G124 PolarHBondContact O-N 2.74Å
122	G	66.9	Low	89.7	Confident	62 Å²	62	38.2 Å²	38.2	64%	0.639	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-50.7	-12	-159.6	0	0	0	0	0	118.7
123	Y	73.1	Confident	89.7	Confident	91 Å²	91	38.8 Å²	38.8	36%	0.357	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-72.2	-29	174.5	-58.5	-66.3	0	0	0	113.8	L68 V121 R240	L68-Y123 HydrophobicContact CD1-CD2 3.87Å; V121-Y123 HydrophobicContact CG1-CD2 4.16Å; V121-Y123 HydrophobicContact CG1-CE2 4.4Å; V121-Y123 PolarHBondContact O-N 3.37Å; Y123-R240 HydrophobicContact CE1-CB 4.49Å; Y123-R240 VanDerWaalsContact OH-CD 3.29Å; Y123-R240 WeakPolarHBondContact OH-CD 3.4Å; Y123-R240 PolarHBondContact OH-NH1 2.96Å
124	G	79.6	Confident	89.6	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.01	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-89.7	-0.2	-176.8	0	0	0	0	0	114.6	Y115 I116 V121 Y126	Y115-G124 CarbonylContact C-O 3.56Å; Y115-G124 VanDerWaalsContact CA-O 3.27Å; Y115-G124 WeakPolarHBondContact CA-O 3.34Å; I116-G124 PolarHBondContact N-O 2.93Å; V121-G124 PolarHBondContact O-N 2.74Å; G124-Y126 PolarHBondContact O-N 2.82Å
125	V	90.1	Very high	89.6	Confident	56 Å²	56	40.8 Å²	40.8	34%	0.339	23%	0.232	S	C	.	.	B	Isolated β-bridge	trans	-72	123.7	-176.1	-178.1	0	0	0	0	109.6	Y115 A128	Y115-V125 HydrophobicContact CD1-CG2 4.14Å; Y115-V125 HydrophobicContact CE1-CG2 3.97Å; V125-A128 HydrophobicContact CG1-CB 3.91Å
126	Y	94.7	Very high	89.7	Confident	20 Å²	20	42.5 Å²	42.5	8%	0.078	25%	0.252	C	S	.	.	S	Bend	trans	-134.1	-83.9	-177	-173.8	-131.6	0	0	0	112.2	P33 G34 G37 I113 E114 I116 G124 A128 H187 L390	P33-Y126 HydrophobicContact CB-CE1 3.78Å; G34-Y126 WeakPolarHBondContact CA-OH 3.26Å; G34-Y126 PolarHBondContact N-OH 3.34Å; G37-Y126 VanDerWaalsContact O-CD1 3.22Å; G37-Y126 WeakPolarHBondContact O-CD1 3.45Å; G37-Y126 VanDerWaalsContact O-CE1 3.27Å; G37-Y126 WeakPolarHBondContact O-CE1 3.3Å; I113-Y126 WeakPolarHBondContact O-CB 3.4Å; I113-Y126 WeakPolarHBondContact O-CD1 3.47Å; E114-Y126 PolarHBondContact O-N 3.09Å; I116-Y126 HydrophobicContact CD1-CD1 4Å; I116-Y126 HydrophobicContact CD1-CD2 4.39Å; I116-Y126 HydrophobicContact CD1-CG 3.82Å; I116-Y126 HydrophobicContact CG1-CD1 4.29Å; I116-Y126 HydrophobicContact CG1-CG 4.33Å; G124-Y126 PolarHBondContact O-N 2.82Å; Y126-A128 VanDerWaalsContact C-N 3.28Å; Y126-A128 PolarHBondContact O-N 2.86Å; Y126-H187 AromaticContact CE2-CE1 3.73Å; Y126-H187 AromaticContact CE2-ND1 3.5Å; Y126-H187 AromaticContact CZ-CE1 3.99Å; Y126-H187 AromaticContact CZ-ND1 3.31Å; Y126-H187 VanDerWaalsContact CZ-ND1 3.31Å; Y126-H187 PolarHBondContact OH-ND1 3.49Å; Y126-L390 HydrophobicContact CD2-CD1 3.43Å; Y126-L390 VanDerWaalsContact CD2-CD1 3.43Å; Y126-L390 HydrophobicContact CE2-CD1 3.45Å; Y126-L390 VanDerWaalsContact CE2-CD1 3.45Å; Y126-L390 HydrophobicContact CG-CD1 4.04Å; Y126-L390 WeakPolarHBondContact O-CD1 3.39Å
127	F	96.8	Very high	89.9	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.254	C	S	.	.	S	Bend	trans	-80.4	-3.4	175	-87.8	-114.6	0	0	0	113.8	C31 P33 I113 E114 D129 M130 V131 H187 L390	C31-F127 HydrophobicContact CB-CD1 4.04Å; C31-F127 HydrophobicContact CB-CE1 3.64Å; C31-F127 HydrophobicContact CB-CZ 4.47Å; P33-F127 HydrophobicContact CB-CE2 4.32Å; I113-F127 HydrophobicContact CB-CB 4.49Å; I113-F127 HydrophobicContact CB-CD2 4.48Å; I113-F127 HydrophobicContact CD1-CB 4.14Å; I113-F127 HydrophobicContact CD1-CD1 3.85Å; I113-F127 HydrophobicContact CD1-CD2 4.43Å; I113-F127 HydrophobicContact CD1-CE1 4.37Å; I113-F127 HydrophobicContact CD1-CG 3.89Å; I113-F127 HydrophobicContact CG1-CB 4.08Å; I113-F127 HydrophobicContact CG1-CG 4.25Å; I113-F127 WeakPolarHBondContact O-CB 3.47Å; I113-F127 PolarHBondContact O-N 2.9Å; E114-F127 HydrophobicContact CG-CB 4.47Å; F127-D129 PolarHBondContact O-N 3.07Å; F127-M130 HydrophobicContact CD1-CE 3.11Å; F127-M130 HydrophobicContact CE1-CE 3.08Å; F127-M130 HydrophobicContact CG-CE 4.12Å; F127-M130 HydrophobicContact CZ-CE 4.07Å; F127-M130 PolarHBondContact O-N 2.93Å; F127-V131 HydrophobicContact CB-CG2 4.14Å; F127-V131 WeakPolarHBondContact O-CB 3.47Å; F127-V131 WeakPolarHBondContact O-CG2 3.26Å; F127-V131 PolarHBondContact O-N 3.02Å; F127-H187 HydrophobicContact CE2-CB 3.93Å; F127-H187 HydrophobicContact CZ-CB 3.77Å; F127-L390 HydrophobicContact CD2-CD1 3.96Å; F127-L390 HydrophobicContact CE2-CD1 4.02Å; F127-L390 HydrophobicContact CE2-CD2 4.35Å; F127-L390 HydrophobicContact CZ-CD2 4.34Å
128	A	96.3	Very high	90.1	Very high	2 Å²	2	44.5 Å²	44.5	2%	0.017	27%	0.269	C	S	.	.	H	α-helix	trans	-58.3	-45.8	-169	0	0	0	0	0	113	E114 Y115 V125 Y126 V131 N132	E114-A128 HydrophobicContact CB-CB 4.01Å; E114-A128 HydrophobicContact CG-CB 4.49Å; E114-A128 PolarHBondContact O-N 3.45Å; Y115-A128 HydrophobicContact CE1-CB 4.08Å; Y115-A128 HydrophobicContact CE2-CB 3.93Å; V125-A128 HydrophobicContact CG1-CB 3.91Å; Y126-A128 VanDerWaalsContact C-N 3.28Å; Y126-A128 PolarHBondContact O-N 2.86Å; A128-V131 PolarHBondContact O-N 2.82Å; A128-N132 WeakPolarHBondContact O-CB 3.33Å; A128-N132 PolarHBondContact O-N 3.06Å; A128-N132 PolarHBondContact O-ND2 2.82Å; A128-N132 VanDerWaalsContact O-ND2 3.11Å
129	D	96	Very high	90.4	Very high	64 Å²	64	41.9 Å²	41.9	34%	0.342	25%	0.252	S	S	.	.	H	α-helix	trans	-64.1	-45.2	-179.3	-68.1	-55.4	0	0	0	112	F127 N132 A133 K391	F127-D129 PolarHBondContact O-N 3.07Å; D129-N132 PolarHBondContact O-N 3.34Å; D129-A133 WeakPolarHBondContact O-CB 3.19Å; D129-A133 PolarHBondContact O-N 3.38Å; D129-K391 HydrophobicContact CB-CB 3.48Å; D129-K391 VanDerWaalsContact CB-CB 3.48Å; D129-K391 WeakPolarHBondContact OD2-CB 3.34Å
130	M	97.3	Very high	90.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.1	-45.3	175.9	-174.9	167.6	60.6	0	0	112.1	F127 A133 M134 I185 L216 L390 L396 I399	F127-M130 HydrophobicContact CD1-CE 3.11Å; F127-M130 HydrophobicContact CE1-CE 3.08Å; F127-M130 HydrophobicContact CG-CE 4.12Å; F127-M130 HydrophobicContact CZ-CE 4.07Å; F127-M130 PolarHBondContact O-N 2.93Å; M130-A133 PolarHBondContact O-N 2.89Å; M130-M134 HydrophobicContact CE-CE 4.41Å; M130-M134 HydrophobicContact CG-CE 3.46Å; M130-M134 VanDerWaalsContact CG-CE 3.46Å; M130-M134 HydrophobicContact CG-SD 4.11Å; M130-M134 VanDerWaalsContact O-CG 3.29Å; M130-M134 WeakPolarHBondContact O-CG 3.19Å; M130-M134 PolarHBondContact O-N 2.86Å; M130-M134 HydrophobicContact SD-CE 3.73Å; M130-I185 HydrophobicContact CE-CG2 4.11Å; M130-I185 HydrophobicContact SD-CD1 4.33Å; M130-I185 HydrophobicContact SD-CG2 4.43Å; M130-L216 HydrophobicContact CE-CD1 4.32Å; M130-L216 HydrophobicContact SD-CD1 4.01Å; M130-L390 WeakPolarHBondContact CB-O 3.2Å; M130-L390 HydrophobicContact CE-CD2 4.14Å; M130-L396 HydrophobicContact CB-CD2 3.92Å; M130-L396 HydrophobicContact CG-CD2 3.78Å; M130-I399 HydrophobicContact SD-CD1 3.71Å
131	V	97.6	Very high	91.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-67.1	-38.7	179	175.8	0	0	0	0	110.7	T110 E114 F127 A128 M134 V135 R141 V145	T110-V131 HydrophobicContact CG2-CG1 4.29Å; T110-V131 HydrophobicContact CG2-CG2 4.29Å; E114-V131 HydrophobicContact CG-CB 3.91Å; E114-V131 HydrophobicContact CG-CG1 4.18Å; E114-V131 HydrophobicContact CG-CG2 3.87Å; E114-V131 WeakPolarHBondContact OE2-CG1 3.31Å; F127-V131 HydrophobicContact CB-CG2 4.14Å; F127-V131 WeakPolarHBondContact O-CB 3.47Å; F127-V131 WeakPolarHBondContact O-CG2 3.26Å; F127-V131 PolarHBondContact O-N 3.02Å; A128-V131 PolarHBondContact O-N 2.82Å; V131-M134 PolarHBondContact O-N 2.9Å; V131-V135 HydrophobicContact CG1-CG2 4.33Å; V131-V135 WeakPolarHBondContact O-CB 3.41Å; V131-V135 VanDerWaalsContact O-CG2 3.24Å; V131-V135 WeakPolarHBondContact O-CG2 3.18Å; V131-V135 PolarHBondContact O-N 3.11Å; V131-R141 HydrophobicContact CG1-CG 3.84Å; V131-V145 HydrophobicContact CG1-CG1 4.28Å; V131-V145 HydrophobicContact CG2-CG2 4.42Å
132	N	97.3	Very high	92.5	Very high	69 Å²	69	38.8 Å²	38.8	37%	0.369	23%	0.23	S	C	.	.	H	α-helix	trans	-60	-45.6	172.2	-79.8	-32.8	0	0	0	111.6	A128 D129 M134 V135 S136 R141	A128-N132 WeakPolarHBondContact O-CB 3.33Å; A128-N132 PolarHBondContact O-N 3.06Å; A128-N132 PolarHBondContact O-ND2 2.82Å; A128-N132 VanDerWaalsContact O-ND2 3.11Å; D129-N132 PolarHBondContact O-N 3.34Å; N132-M134 PolarHBondContact O-N 2.76Å; N132-V135 PolarHBondContact O-N 2.78Å; N132-S136 PolarHBondContact O-N 3.11Å; N132-R141 PolarHBondContact OD1-NH2 3.21Å
133	A	97.2	Very high	93.7	Very high	17 Å²	17	42 Å²	42	14%	0.14	23%	0.226	C	C	.	.	H	α-helix	trans	-59.9	-46.9	176	0	0	0	0	0	111	D129 M130 V135 S136 W137 L396	D129-A133 WeakPolarHBondContact O-CB 3.19Å; D129-A133 PolarHBondContact O-N 3.38Å; M130-A133 PolarHBondContact O-N 2.89Å; A133-V135 PolarHBondContact O-N 3.15Å; A133-S136 WeakPolarHBondContact O-CB 3.34Å; A133-S136 PolarHBondContact O-N 3.46Å; A133-S136 VanDerWaalsContact O-N 3.13Å; A133-S136 PolarHBondContact O-OG 3.49Å; A133-W137 HydrophobicContact CB-CH2 4.05Å; A133-W137 HydrophobicContact CB-CZ2 3.67Å; A133-W137 VanDerWaalsContact O-CD1 3.22Å; A133-W137 VanDerWaalsContact O-CE2 3.29Å; A133-W137 PolarHBondContact O-N 3.02Å; A133-W137 VanDerWaalsContact O-N 3.08Å; A133-W137 PolarHBondContact O-NE1 3.08Å; A133-L396 HydrophobicContact CB-CD1 4.05Å; A133-L396 HydrophobicContact CB-CD2 4.34Å
134	M	95.5	Very high	94.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60	-43.7	175.9	-69.5	166.1	178.3	0	0	112.4	L29 M130 V131 N132 S136 W137 G138 Y139 V145 I185 I399	L29-M134 HydrophobicContact CD1-CE 4.02Å; L29-M134 HydrophobicContact CD1-CG 4.27Å; L29-M134 HydrophobicContact CD1-SD 3.61Å; L29-M134 HydrophobicContact CD2-CE 4.25Å; M130-M134 HydrophobicContact CE-CE 4.41Å; M130-M134 HydrophobicContact CG-CE 3.46Å; M130-M134 VanDerWaalsContact CG-CE 3.46Å; M130-M134 HydrophobicContact CG-SD 4.11Å; M130-M134 VanDerWaalsContact O-CG 3.29Å; M130-M134 WeakPolarHBondContact O-CG 3.19Å; M130-M134 PolarHBondContact O-N 2.86Å; M130-M134 HydrophobicContact SD-CE 3.73Å; V131-M134 PolarHBondContact O-N 2.9Å; N132-M134 PolarHBondContact O-N 2.76Å; M134-S136 VanDerWaalsContact C-N 3.29Å; M134-S136 PolarHBondContact O-N 2.97Å; M134-W137 HydrophobicContact CB-CE3 4.36Å; M134-W137 HydrophobicContact CG-CE3 4.03Å; M134-W137 HydrophobicContact CG-CZ3 3.79Å; M134-W137 CarbonylContact O-C 3.57Å; M134-W137 WeakPolarHBondContact O-CA 3.22Å; M134-W137 WeakPolarHBondContact O-CB 3.21Å; M134-W137 PolarHBondContact O-N 2.9Å; M134-G138 PolarHBondContact O-N 3.36Å; M134-Y139 HydrophobicContact CB-CD2 4.19Å; M134-Y139 HydrophobicContact CB-CG 4.17Å; M134-Y139 WeakPolarHBondContact O-CB 2.99Å; M134-Y139 VanDerWaalsContact O-CD2 3.26Å; M134-Y139 WeakPolarHBondContact O-CD2 3.26Å; M134-Y139 PolarHBondContact O-N 3.27Å; M134-V145 HydrophobicContact SD-CG2 3.88Å; M134-I185 HydrophobicContact CE-CD1 3.48Å; M134-I185 VanDerWaalsContact CE-CD1 3.48Å; M134-I399 HydrophobicContact CE-CG2 4.07Å
135	V	96.8	Very high	95.5	Very high	48 Å²	48	38.7 Å²	38.7	29%	0.291	22%	0.215	S	C	.	.	H	α-helix	trans	-63	-37.1	176.3	170.4	0	0	0	0	111.1	V131 N132 A133 W137 G138 Y139 R141	V131-V135 HydrophobicContact CG1-CG2 4.33Å; V131-V135 WeakPolarHBondContact O-CB 3.41Å; V131-V135 VanDerWaalsContact O-CG2 3.24Å; V131-V135 WeakPolarHBondContact O-CG2 3.18Å; V131-V135 PolarHBondContact O-N 3.11Å; N132-V135 PolarHBondContact O-N 2.78Å; A133-V135 PolarHBondContact O-N 3.15Å; V135-W137 PolarHBondContact O-N 3.07Å; V135-G138 VanDerWaalsContact O-CA 3.23Å; V135-G138 WeakPolarHBondContact O-CA 3.21Å; V135-G138 PolarHBondContact O-N 3.02Å; V135-Y139 WeakPolarHBondContact CA-O 3.4Å; V135-R141 HydrophobicContact CG2-CG 3.99Å
136	S	96.9	Very high	95.9	Very high	90 Å²	90	38.1 Å²	38.1	63%	0.629	21%	0.207	S	C	*	.	H	α-helix	trans	-64	-27.1	172.5	85.7	0	0	0	0	112.8	N132 A133 M134 G138	N132-S136 PolarHBondContact O-N 3.11Å; A133-S136 WeakPolarHBondContact O-CB 3.34Å; A133-S136 PolarHBondContact O-N 3.46Å; A133-S136 VanDerWaalsContact O-N 3.13Å; A133-S136 PolarHBondContact O-OG 3.49Å; M134-S136 VanDerWaalsContact C-N 3.29Å; M134-S136 PolarHBondContact O-N 2.97Å; S136-G138 PolarHBondContact O-N 3.11Å
137	W	95.2	Very high	96	Very high	37 Å²	37	37.2 Å²	37.2	14%	0.14	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	6.4	171.3	-45.2	-25.7	0	0	0	112.4	K26 A133 M134 V135 Y139 L396 I399 K400 L403 F404	K26-W137 PolarHBondContact NZ-O 3.45Å; A133-W137 HydrophobicContact CB-CH2 4.05Å; A133-W137 HydrophobicContact CB-CZ2 3.67Å; A133-W137 VanDerWaalsContact O-CD1 3.22Å; A133-W137 VanDerWaalsContact O-CE2 3.29Å; A133-W137 PolarHBondContact O-N 3.02Å; A133-W137 VanDerWaalsContact O-N 3.08Å; A133-W137 PolarHBondContact O-NE1 3.08Å; M134-W137 HydrophobicContact CB-CE3 4.36Å; M134-W137 HydrophobicContact CG-CE3 4.03Å; M134-W137 HydrophobicContact CG-CZ3 3.79Å; M134-W137 CarbonylContact O-C 3.57Å; M134-W137 WeakPolarHBondContact O-CA 3.22Å; M134-W137 WeakPolarHBondContact O-CB 3.21Å; M134-W137 PolarHBondContact O-N 2.9Å; V135-W137 PolarHBondContact O-N 3.07Å; W137-Y139 HydrophobicContact CB-CD2 4.4Å; W137-L396 HydrophobicContact CH2-CB 4.39Å; W137-L396 VanDerWaalsContact CH2-O 3.27Å; W137-L396 WeakPolarHBondContact CH2-O 3.38Å; W137-L396 HydrophobicContact CZ2-CB 4.46Å; W137-I399 HydrophobicContact CZ3-CG2 4.25Å; W137-K400 HydrophobicContact CD2-CB 4.34Å; W137-K400 HydrophobicContact CD2-CD 4.1Å; W137-K400 HydrophobicContact CD2-CG 3.93Å; W137-K400 HydrophobicContact CE3-CB 4.26Å; W137-K400 HydrophobicContact CE3-CG 4.18Å; W137-K400 HydrophobicContact CG-CD 4.35Å; W137-K400 HydrophobicContact CG-CG 4.43Å; W137-K400 HydrophobicContact CH2-CB 3.81Å; W137-K400 HydrophobicContact CH2-CG 4.45Å; W137-K400 HydrophobicContact CZ2-CB 3.86Å; W137-K400 HydrophobicContact CZ2-CD 4.12Å; W137-K400 HydrophobicContact CZ2-CG 4.2Å; W137-K400 HydrophobicContact CZ3-CB 4.01Å; W137-K400 HydrophobicContact CZ3-CG 4.44Å; W137-L403 HydrophobicContact CZ3-CD1 4.29Å; W137-F404 HydrophobicContact CB-CE2 3.76Å; W137-F404 HydrophobicContact CB-CZ 3.73Å; W137-F404 HydrophobicContact CD2-CE2 4.4Å; W137-F404 HydrophobicContact CE3-CE2 4.22Å; W137-F404 HydrophobicContact CG-CE2 4.24Å
138	G	94.3	Very high	96.1	Very high	37 Å²	37	37.2 Å²	37.2	38%	0.381	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	31.2	176.6	0	0	0	0	0	114.9	K26 M134 V135 S136	K26-G138 WeakPolarHBondContact CD-O 3.35Å; K26-G138 PolarHBondContact NZ-O 3.43Å; M134-G138 PolarHBondContact O-N 3.36Å; V135-G138 VanDerWaalsContact O-CA 3.23Å; V135-G138 WeakPolarHBondContact O-CA 3.21Å; V135-G138 PolarHBondContact O-N 3.02Å; S136-G138 PolarHBondContact O-N 3.11Å
139	Y	94.6	Very high	96.2	Very high	5 Å²	5	37.2 Å²	37.2	2%	0.02	20%	0.203	C	C	.	.			trans	-76.8	160.7	161	-74.1	-106.6	0	0	0	110.6	K26 V27 L29 M134 V135 W137 T144 V145 L403 F404	K26-Y139 HydrophobicContact CB-CE1 4.46Å; K26-Y139 HydrophobicContact CD-CD2 4.34Å; K26-Y139 HydrophobicContact CD-CE2 4.31Å; V27-Y139 WeakPolarHBondContact O-CE1 3.41Å; V27-Y139 PolarHBondContact O-OH 2.8Å; L29-Y139 HydrophobicContact CD1-CD1 3.52Å; L29-Y139 HydrophobicContact CD1-CE1 3.2Å; L29-Y139 HydrophobicContact CD1-CG 4.34Å; L29-Y139 HydrophobicContact CG-CE1 3.94Å; M134-Y139 HydrophobicContact CB-CD2 4.19Å; M134-Y139 HydrophobicContact CB-CG 4.17Å; M134-Y139 WeakPolarHBondContact O-CB 2.99Å; M134-Y139 VanDerWaalsContact O-CD2 3.26Å; M134-Y139 WeakPolarHBondContact O-CD2 3.26Å; M134-Y139 PolarHBondContact O-N 3.27Å; V135-Y139 WeakPolarHBondContact CA-O 3.4Å; W137-Y139 HydrophobicContact CB-CD2 4.4Å; Y139-T144 WeakPolarHBondContact CA-OG1 3.29Å; Y139-V145 HydrophobicContact CD1-CB 4.43Å; Y139-L403 HydrophobicContact CE2-CD1 4.39Å; Y139-F404 HydrophobicContact CE2-CE2 4.15Å; Y139-F404 HydrophobicContact CE2-CZ 4.08Å
140	E	95.4	Very high	96.4	Very high	99 Å²	99	34.3 Å²	34.3	46%	0.463	19%	0.187	S	C	.	.			trans	-122.2	122.1	-179.6	-73	179.3	-111.5	0	0	108.8	G142 K143 T144 V145	E140-G142 PolarHBondContact O-N 3.19Å; E140-K143 HydrophobicContact CB-CB 4.09Å; E140-K143 HydrophobicContact CB-CD 4.36Å; E140-K143 PolarHBondContact O-N 3.3Å; E140-K143 WeakPolarHBondContact OE2-CD 3.45Å; E140-K143 IonicContact OE2-NZ 3.67Å; E140-K143 PolarHBondContact OE2-NZ 3.3Å; E140-T144 PolarHBondContact N-OG1 3.29Å; E140-T144 PolarHBondContact O-N 2.86Å; E140-V145 PolarHBondContact O-N 3.42Å; E140-V145 VanDerWaalsContact O-N 3.15Å
141	R	96.7	Very high	96.4	Very high	92 Å²	92	34.9 Å²	34.9	35%	0.347	19%	0.19	S	C	.	.	B	Isolated β-bridge	trans	-54.8	136.4	174.8	-68.2	-177.9	170.4	82.4	4.6	110.9	T110 E114 V131 N132 V135 K143	T110-R141 WeakPolarHBondContact OG1-CD 3.15Å; T110-R141 WeakPolarHBondContact OG1-CG 3.39Å; E114-R141 VanDerWaalsContact CD-NE 3.35Å; E114-R141 WeakPolarHBondContact OE1-CD 3.07Å; E114-R141 IonicContact OE1-NE 3.41Å; E114-R141 PolarHBondContact OE1-NE 2.83Å; E114-R141 IonicContact OE2-CZ 3.49Å; E114-R141 VanDerWaalsContact OE2-CZ 3.27Å; E114-R141 IonicContact OE2-NE 3.09Å; E114-R141 PolarHBondContact OE2-NE 3.48Å; E114-R141 IonicContact OE2-NH2 2.67Å; E114-R141 PolarHBondContact OE2-NH2 3.35Å; V131-R141 HydrophobicContact CG1-CG 3.84Å; N132-R141 PolarHBondContact OD1-NH2 3.21Å; V135-R141 HydrophobicContact CG2-CG 3.99Å; R141-K143 PolarHBondContact O-N 2.93Å; R141-K143 VanDerWaalsContact O-N 3.14Å
142	G	94.9	Very high	96.4	Very high	25 Å²	25	35 Å²	35	26%	0.258	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	-8.2	178.8	0	0	0	0	0	115.2	G108 E140 V145	G108-G142 WeakPolarHBondContact O-CA 3.44Å; E140-G142 PolarHBondContact O-N 3.19Å; G142-V145 PolarHBondContact N-O 3.02Å
143	K	92.7	Very high	96.4	Very high	129 Å²	129	31.8 Å²	31.8	56%	0.561	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.1	-69.5	-179.4	-62.9	-175.8	-166.7	164.5	0	111.8	E140 R141	E140-K143 HydrophobicContact CB-CB 4.09Å; E140-K143 HydrophobicContact CB-CD 4.36Å; E140-K143 PolarHBondContact O-N 3.3Å; E140-K143 WeakPolarHBondContact OE2-CD 3.45Å; E140-K143 IonicContact OE2-NZ 3.67Å; E140-K143 PolarHBondContact OE2-NZ 3.3Å; R141-K143 PolarHBondContact O-N 2.93Å; R141-K143 VanDerWaalsContact O-N 3.14Å
144	T	93.5	Very high	96.5	Very high	22 Å²	22	33.5 Å²	33.5	14%	0.135	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-18.9	-178.1	57.2	0	0	0	0	113.4	T28 L29 Y139 E140	T28-T144 CarbonylContact C-O 3.45Å; T28-T144 WeakPolarHBondContact CA-O 3.48Å; T28-T144 HydrophobicContact CG2-CG2 3.78Å; L29-T144 PolarHBondContact N-O 3.36Å; Y139-T144 WeakPolarHBondContact CA-OG1 3.29Å; E140-T144 PolarHBondContact N-OG1 3.29Å; E140-T144 PolarHBondContact O-N 2.86Å
145	V	96.4	Very high	96.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	122.2	162	58.7	0	0	0	0	109.1	L29 T110 V131 M134 Y139 E140 G142	L29-V145 HydrophobicContact CB-CB 4.32Å; L29-V145 HydrophobicContact CB-CG2 4.15Å; L29-V145 HydrophobicContact CD1-CB 4.11Å; L29-V145 HydrophobicContact CD1-CG2 4.18Å; T110-V145 HydrophobicContact CG2-CG1 4.28Å; T110-V145 HydrophobicContact CG2-CG2 4.11Å; T110-V145 WeakPolarHBondContact CG2-O 3.41Å; V131-V145 HydrophobicContact CG1-CG1 4.28Å; V131-V145 HydrophobicContact CG2-CG2 4.42Å; M134-V145 HydrophobicContact SD-CG2 3.88Å; Y139-V145 HydrophobicContact CD1-CB 4.43Å; E140-V145 PolarHBondContact O-N 3.42Å; E140-V145 VanDerWaalsContact O-N 3.15Å; G142-V145 PolarHBondContact N-O 3.02Å
146	R	97.8	Very high	96.6	Very high	45 Å²	45	31.2 Å²	31.2	17%	0.17	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	135.7	-171.7	-57.1	-175.6	77.9	-170	2.5	110.6	L29 A30 C31 G108 L169 T173	L29-R146 PolarHBondContact O-N 3.11Å; A30-R146 WeakPolarHBondContact CA-O 3.47Å; C31-R146 PolarHBondContact N-O 3.23Å; G108-R146 WeakPolarHBondContact O-CA 3.47Å; G108-R146 WeakPolarHBondContact O-CB 3.37Å; R146-L169 PolarHBondContact NH1-O 3.19Å; R146-T173 VanDerWaalsContact CD-OG1 3.23Å; R146-T173 WeakPolarHBondContact CD-OG1 3.17Å; R146-T173 PolarHBondContact NH1-OG1 3.25Å
147	G	98.1	Very high	96.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	143.3	173.2	0	0	0	0	0	112.1	G108 N109 P149	G108-G147 VanDerWaalsContact CA-O 3.23Å; G108-G147 WeakPolarHBondContact CA-O 3.44Å; G108-G147 PolarHBondContact N-O 3.49Å; N109-G147 WeakPolarHBondContact O-CA 3.24Å; N109-G147 PolarHBondContact O-N 3.33Å; G147-P149 WeakPolarHBondContact O-CD 3.34Å
148	A	98.5	Very high	96.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.141	C	C	.	.			trans	-119.9	68.7	174.3	0	0	0	0	0	110.1	C31 V32 P33 W107 F162 L166 L169	C31-A148 PolarHBondContact O-N 2.88Å; V32-A148 HydrophobicContact CG2-CB 4.17Å; P33-A148 WeakPolarHBondContact CD-O 3.48Å; W107-A148 HydrophobicContact CH2-CB 4.04Å; W107-A148 HydrophobicContact CZ3-CB 4.05Å; A148-F162 HydrophobicContact CB-CE2 4.17Å; A148-F162 WeakPolarHBondContact O-CE2 2.97Å; A148-L166 HydrophobicContact CB-CD1 3.95Å; A148-L169 HydrophobicContact CB-CD2 3.81Å
149	P	98.4	Very high	96.4	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.019	13%	0.127	C	C	.	.			trans	-67.8	150.1	178.6	31.3	-37	0	0	0	111.2	N38 I104 P105 W107 I113 G147	N38-P149 HydrophobicContact CB-CB 3.55Å; N38-P149 WeakPolarHBondContact OD1-CA 3.36Å; I104-P149 HydrophobicContact CG2-CB 3.69Å; I104-P149 HydrophobicContact CG2-CG 4.04Å; P105-P149 VanDerWaalsContact O-CG 3.32Å; P105-P149 WeakPolarHBondContact O-CG 3.4Å; W107-P149 HydrophobicContact CE3-CG 4.48Å; W107-P149 WeakPolarHBondContact CZ3-O 2.83Å; I113-P149 HydrophobicContact CG2-CB 4.13Å; G147-P149 WeakPolarHBondContact O-CD 3.34Å
150	Y	98.6	Very high	96.4	Very high	3 Å²	3	32.2 Å²	32.2	1%	0.012	15%	0.154	C	C	.	.			trans	-144.4	173.2	-178.1	60.1	-79.4	0	0	0	112	V32 P33 N38 F152 F162 L189 Y193	V32-Y150 HydrophobicContact CG1-CD1 4.22Å; V32-Y150 HydrophobicContact CG1-CE1 3.74Å; P33-Y150 HydrophobicContact CG-CD1 4.2Å; P33-Y150 HydrophobicContact CG-CE1 3.85Å; P33-Y150 VanDerWaalsContact O-CE1 3.22Å; P33-Y150 WeakPolarHBondContact O-CE1 3.47Å; P33-Y150 PolarHBondContact O-OH 2.97Å; N38-Y150 PolarHBondContact ND2-O 2.89Å; N38-Y150 PolarHBondContact OD1-N 3.39Å; N38-Y150 PolarHBondContact OD1-O 2.92Å; Y150-F152 HydrophobicContact CD2-CB 4.4Å; Y150-F152 HydrophobicContact CE2-CB 3.99Å; Y150-F152 PolarHBondContact O-N 3.12Å; Y150-F152 VanDerWaalsContact O-N 3.07Å; Y150-F162 HydrophobicContact CD1-CE1 4.45Å; Y150-F162 HydrophobicContact CD1-CE2 4.13Å; Y150-F162 AromaticContact CD1-CZ 3.96Å; Y150-F162 HydrophobicContact CD1-CZ 3.96Å; Y150-F162 HydrophobicContact CG-CD2 4.45Å; Y150-F162 HydrophobicContact CG-CE1 4.36Å; Y150-F162 HydrophobicContact CG-CE2 4.25Å; Y150-F162 HydrophobicContact CG-CZ 4.21Å; Y150-L189 HydrophobicContact CE2-CD2 4.48Å; Y150-Y193 HydrophobicContact CD2-CD2 4.4Å; Y150-Y193 HydrophobicContact CD2-CE1 4.27Å; Y150-Y193 AromaticContact CD2-CE2 3.92Å; Y150-Y193 HydrophobicContact CD2-CE2 3.92Å; Y150-Y193 AromaticContact CD2-CZ 3.85Å; Y150-Y193 AromaticContact CE2-CD2 3.63Å; Y150-Y193 HydrophobicContact CE2-CD2 3.63Å; Y150-Y193 HydrophobicContact CE2-CE1 4.39Å; Y150-Y193 AromaticContact CE2-CE2 3.29Å; Y150-Y193 HydrophobicContact CE2-CE2 3.29Å; Y150-Y193 HydrophobicContact CE2-CG 4.31Å; Y150-Y193 AromaticContact CE2-CZ 3.72Å; Y150-Y193 AromaticContact CZ-CD2 3.84Å; Y150-Y193 AromaticContact CZ-CE2 3.99Å
151	D	98.2	Very high	96.4	Very high	11 Å²	11	35.9 Å²	35.9	6%	0.059	17%	0.168	C	C	.	.			trans	-78	90.4	171.7	-171.3	-7.3	0	0	0	108.4	I104 R153 R154 N159	I104-D151 HydrophobicContact CD1-CB 3.95Å; I104-D151 HydrophobicContact CG1-CB 4.21Å; D151-R153 PolarHBondContact O-N 3.35Å; D151-R153 VanDerWaalsContact O-N 3.16Å; D151-R153 WeakPolarHBondContact OD1-CB 3.39Å; D151-R153 WeakPolarHBondContact OD1-CG 3.38Å; D151-R153 IonicContact OD1-CZ 2.77Å; D151-R153 PolarHBondContact OD1-N 3.05Å; D151-R153 IonicContact OD1-NE 2.78Å; D151-R153 PolarHBondContact OD1-NE 2.75Å; D151-R153 IonicContact OD1-NH2 2.68Å; D151-R153 PolarHBondContact OD1-NH2 3.04Å; D151-R153 IonicContact OD2-CZ 3.79Å; D151-R153 IonicContact OD2-NE 3.65Å; D151-R153 IonicContact OD2-NH2 2.6Å; D151-R153 PolarHBondContact OD2-NH2 3.33Å; D151-R154 PolarHBondContact O-N 3.5Å; D151-R154 IonicContact OD2-NE 3.72Å; D151-R154 PolarHBondContact OD2-NE 3.31Å; D151-N159 PolarHBondContact O-ND2 3.29Å
152	F	97.6	Very high	96.4	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.018	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-14.1	-175	55.3	-101.6	0	0	0	114	D35 G36 N38 L40 W65 M83 Y150 R154 M255 S257	D35-F152 VanDerWaalsContact OD1-CD2 3.28Å; D35-F152 WeakPolarHBondContact OD1-CD2 3.48Å; G36-F152 VanDerWaalsContact N-CD2 3.32Å; G36-F152 VanDerWaalsContact N-CG 3.34Å; N38-F152 WeakPolarHBondContact O-CE1 3.2Å; L40-F152 HydrophobicContact CB-CE1 4.35Å; W65-F152 HydrophobicContact CB-CZ 4.36Å; W65-F152 AromaticContact CD1-CE1 3.53Å; W65-F152 AromaticContact CD1-CZ 3.37Å; W65-F152 HydrophobicContact CD2-CZ 4.36Å; W65-F152 HydrophobicContact CG-CE1 4.32Å; W65-F152 AromaticContact CG-CZ 3.79Å; W65-F152 HydrophobicContact CG-CZ 3.79Å; W65-F152 AromaticContact NE1-CE1 3.93Å; W65-F152 AromaticContact NE1-CZ 3.7Å; M83-F152 HydrophobicContact CE-CE2 3.62Å; M83-F152 HydrophobicContact CE-CZ 3.57Å; Y150-F152 HydrophobicContact CD2-CB 4.4Å; Y150-F152 HydrophobicContact CE2-CB 3.99Å; Y150-F152 PolarHBondContact O-N 3.12Å; Y150-F152 VanDerWaalsContact O-N 3.07Å; F152-R154 PolarHBondContact O-N 3.2Å; F152-M255 HydrophobicContact CE2-CE 4.3Å; F152-S257 WeakPolarHBondContact O-CB 3.49Å; F152-S257 PolarHBondContact O-OG 3.39Å
153	R	98	Very high	96.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-22	175.4	-57.6	177	-66.2	163.7	6.4	112.5	M83 M85 N96 T102 D151 M255 T256 S257	M83-R153 HydrophobicContact CE-CG 3.94Å; M83-R153 WeakPolarHBondContact O-CD 3.3Å; M83-R153 PolarHBondContact O-NH1 3.41Å; M85-R153 HydrophobicContact CE-CB 3.81Å; M85-R153 WeakPolarHBondContact CE-O 3.23Å; M85-R153 HydrophobicContact CG-CB 4.34Å; M85-R153 HydrophobicContact SD-CB 3.74Å; N96-R153 PolarHBondContact OD1-NH2 3.4Å; T102-R153 PolarHBondContact OG1-NH2 3.25Å; D151-R153 PolarHBondContact O-N 3.35Å; D151-R153 VanDerWaalsContact O-N 3.16Å; D151-R153 WeakPolarHBondContact OD1-CB 3.39Å; D151-R153 WeakPolarHBondContact OD1-CG 3.38Å; D151-R153 IonicContact OD1-CZ 2.77Å; D151-R153 PolarHBondContact OD1-N 3.05Å; D151-R153 IonicContact OD1-NE 2.78Å; D151-R153 PolarHBondContact OD1-NE 2.75Å; D151-R153 IonicContact OD1-NH2 2.68Å; D151-R153 PolarHBondContact OD1-NH2 3.04Å; D151-R153 IonicContact OD2-CZ 3.79Å; D151-R153 IonicContact OD2-NE 3.65Å; D151-R153 IonicContact OD2-NH2 2.6Å; D151-R153 PolarHBondContact OD2-NH2 3.33Å; R153-M255 HydrophobicContact CB-CG 4Å; R153-M255 HydrophobicContact CB-SD 4.24Å; R153-M255 HydrophobicContact CG-CE 4.05Å; R153-M255 HydrophobicContact CG-CG 4.27Å; R153-M255 HydrophobicContact CG-SD 4.15Å; R153-M255 CarbonylContact O-C 3.57Å; R153-M255 VanDerWaalsContact O-CA 3.28Å; R153-M255 WeakPolarHBondContact O-CA 3.36Å; R153-M255 WeakPolarHBondContact O-CB 3.27Å; R153-T256 PolarHBondContact O-N 2.76Å; R153-S257 PolarHBondContact O-N 2.82Å; R153-S257 PolarHBondContact O-OG 3.27Å
154	R	97.8	Very high	96.8	Very high	54 Å²	54	27.2 Å²	27.2	20%	0.204	14%	0.136	C	C	.	.	S	Bend	trans	-99.4	152.8	-172.5	-67	177.6	-179.3	-134.8	-8.6	111.2	M85 T94 D151 F152 H158 Y193 T256 S257	M85-R154 HydrophobicContact CE-CG 4.24Å; M85-R154 HydrophobicContact SD-CG 3.8Å; T94-R154 PolarHBondContact O-NH2 3.11Å; D151-R154 PolarHBondContact O-N 3.5Å; D151-R154 IonicContact OD2-NE 3.72Å; D151-R154 PolarHBondContact OD2-NE 3.31Å; F152-R154 PolarHBondContact O-N 3.2Å; R154-H158 HydrophobicContact CB-CB 3.91Å; R154-H158 HydrophobicContact CG-CB 4.22Å; R154-H158 PolarHBondContact NH1-O 3.18Å; R154-Y193 PolarHBondContact O-OH 3.4Å; R154-T256 WeakPolarHBondContact CA-OG1 3.48Å; R154-S257 WeakPolarHBondContact O-CB 3.49Å
155	A	97.6	Very high	97	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.144	C	C	.	.			trans	-79.3	165.2	165.3	0	0	0	0	0	111.8	N157 H158 N159 Y193 T256 F260 T306 L309	A155-N157 WeakPolarHBondContact CB-OD1 3.49Å; A155-N157 PolarHBondContact O-N 2.97Å; A155-H158 PolarHBondContact O-N 3.13Å; A155-N159 PolarHBondContact O-N 3.33Å; A155-Y193 PolarHBondContact O-OH 3.46Å; A155-Y193 VanDerWaalsContact O-OH 3.12Å; A155-T256 PolarHBondContact N-OG1 3.04Å; A155-F260 HydrophobicContact CB-CB 4.14Å; A155-F260 HydrophobicContact CB-CG 4.49Å; A155-T306 HydrophobicContact CB-CG2 3.5Å; A155-T306 VanDerWaalsContact CB-CG2 3.5Å; A155-L309 HydrophobicContact CB-CD1 4.11Å
156	P	97.2	Very high	97.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-54.5	-40.8	-176.6	-29.9	35.1	0	0	0	115.9	H158 N159 Y193 Y196 F260 L309	P156-H158 PolarHBondContact O-N 3.22Å; P156-N159 PolarHBondContact O-N 3.05Å; P156-Y193 HydrophobicContact CB-CD1 4.24Å; P156-Y193 HydrophobicContact CB-CE1 4Å; P156-Y193 HydrophobicContact CG-CD1 4.08Å; P156-Y193 HydrophobicContact CG-CD2 4.28Å; P156-Y193 HydrophobicContact CG-CE1 3.95Å; P156-Y193 HydrophobicContact CG-CE2 4.14Å; P156-Y193 HydrophobicContact CG-CG 4.25Å; P156-Y196 HydrophobicContact CB-CD1 3.5Å; P156-Y196 HydrophobicContact CB-CD2 4.28Å; P156-Y196 HydrophobicContact CB-CE1 3.93Å; P156-Y196 HydrophobicContact CB-CG 3.7Å; P156-Y196 HydrophobicContact CG-CG 4.3Å; P156-F260 HydrophobicContact CG-CE1 3.93Å; P156-F260 HydrophobicContact CG-CZ 4.2Å; P156-L309 HydrophobicContact CB-CD1 4.37Å; P156-L309 HydrophobicContact CG-CD1 4.38Å
157	N	94.8	Very high	97.1	Very high	39 Å²	39	30.6 Å²	30.6	21%	0.209	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-62.7	-22.4	176.8	60	-25	0	0	0	113.7	A155 L160 N305 L309	A155-N157 WeakPolarHBondContact CB-OD1 3.49Å; A155-N157 PolarHBondContact O-N 2.97Å; N157-L160 WeakPolarHBondContact O-CG 3.4Å; N157-N305 PolarHBondContact ND2-OD1 2.77Å; N157-L309 HydrophobicContact CB-CD1 4.21Å; N157-L309 HydrophobicContact CB-CD2 3.65Å; N157-L309 WeakPolarHBondContact OD1-CD1 3.32Å
158	H	93.3	Very high	97.1	Very high	23 Å²	23	35.9 Å²	35.9	11%	0.106	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-94.1	0.3	177.9	-68.7	-156	0	0	0	112.6	G92 T94 R154 A155 P156 N305	G92-H158 PolarHBondContact O-CE1 2.72Å; G92-H158 PolarHBondContact O-NE2 3.3Å; T94-H158 PolarHBondContact OG1-ND1 2.68Å; R154-H158 HydrophobicContact CB-CB 3.91Å; R154-H158 HydrophobicContact CG-CB 4.22Å; R154-H158 PolarHBondContact NH1-O 3.18Å; A155-H158 PolarHBondContact O-N 3.13Å; P156-H158 PolarHBondContact O-N 3.22Å; H158-N305 PolarHBondContact NE2-OD1 3.27Å
159	N	94.6	Very high	97	Very high	16 Å²	16	36 Å²	36	9%	0.086	18%	0.176	C	C	.	.			trans	-123.4	32.1	-175.2	-99	-23	0	0	0	112.2	D151 A155 P156 K161 F162 L163 Y193	D151-N159 PolarHBondContact O-ND2 3.29Å; A155-N159 PolarHBondContact O-N 3.33Å; P156-N159 PolarHBondContact O-N 3.05Å; N159-K161 VanDerWaalsContact C-N 3.26Å; N159-K161 PolarHBondContact O-N 3.45Å; N159-K161 VanDerWaalsContact O-N 3.17Å; N159-F162 HydrophobicContact CB-CB 4.25Å; N159-F162 WeakPolarHBondContact O-CA 3.44Å; N159-F162 VanDerWaalsContact O-CB 3.3Å; N159-F162 WeakPolarHBondContact O-CB 3.3Å; N159-F162 PolarHBondContact O-N 3.08Å; N159-L163 PolarHBondContact O-N 3.37Å; N159-L163 VanDerWaalsContact O-N 3.16Å; N159-Y193 HydrophobicContact CB-CE1 3.9Å; N159-Y193 PolarHBondContact ND2-OH 3.33Å
160	L	94.4	Very high	97	Very high	111 Å²	111	35.9 Å²	35.9	58%	0.581	18%	0.175	S	C	*	.	H	α-helix	trans	-55.6	-37.1	-176.9	-58.2	-178.4	0	0	0	113.8	N157 F162 L163 G164	N157-L160 WeakPolarHBondContact O-CG 3.4Å; L160-F162 VanDerWaalsContact C-N 3.31Å; L160-F162 PolarHBondContact O-N 3.1Å; L160-L163 HydrophobicContact CD2-CD1 4.23Å; L160-L163 PolarHBondContact O-N 2.87Å; L160-G164 PolarHBondContact O-N 2.82Å
161	K	95.6	Very high	97	Very high	176 Å²	176	38 Å²	38	77%	0.765	19%	0.185	S	C	*	.	H	α-helix	trans	-61.6	-38.9	174.5	-175.5	175.8	-178.7	176.1	0	112	N159 K165	N159-K161 VanDerWaalsContact C-N 3.26Å; N159-K161 PolarHBondContact O-N 3.45Å; N159-K161 VanDerWaalsContact O-N 3.17Å; K161-K165 WeakPolarHBondContact O-CG 3.01Å; K161-K165 PolarHBondContact O-N 2.67Å
162	F	97.6	Very high	96.8	Very high	14 Å²	14	42 Å²	42	6%	0.061	21%	0.206	C	C	.	.	H	α-helix	trans	-64	-44.1	174.5	160.5	-101.8	0	0	0	111	V32 W107 A148 Y150 N159 L160 G164 K165 L166 Y193	V32-F162 HydrophobicContact CG1-CZ 4.2Å; W107-F162 AromaticContact CH2-CD2 3.83Å; W107-F162 HydrophobicContact CH2-CD2 3.83Å; W107-F162 AromaticContact CH2-CE2 3.83Å; W107-F162 HydrophobicContact CH2-CE2 3.83Å; W107-F162 AromaticContact CZ3-CD2 3.6Å; W107-F162 HydrophobicContact CZ3-CD2 3.6Å; W107-F162 AromaticContact CZ3-CE2 3.66Å; W107-F162 HydrophobicContact CZ3-CE2 3.66Å; A148-F162 HydrophobicContact CB-CE2 4.17Å; A148-F162 WeakPolarHBondContact O-CE2 2.97Å; Y150-F162 HydrophobicContact CD1-CE1 4.45Å; Y150-F162 HydrophobicContact CD1-CE2 4.13Å; Y150-F162 AromaticContact CD1-CZ 3.96Å; Y150-F162 HydrophobicContact CD1-CZ 3.96Å; Y150-F162 HydrophobicContact CG-CD2 4.45Å; Y150-F162 HydrophobicContact CG-CE1 4.36Å; Y150-F162 HydrophobicContact CG-CE2 4.25Å; Y150-F162 HydrophobicContact CG-CZ 4.21Å; N159-F162 HydrophobicContact CB-CB 4.25Å; N159-F162 WeakPolarHBondContact O-CA 3.44Å; N159-F162 VanDerWaalsContact O-CB 3.3Å; N159-F162 WeakPolarHBondContact O-CB 3.3Å; N159-F162 PolarHBondContact O-N 3.08Å; L160-F162 VanDerWaalsContact C-N 3.31Å; L160-F162 PolarHBondContact O-N 3.1Å; F162-G164 VanDerWaalsContact C-N 3.34Å; F162-G164 PolarHBondContact O-N 3.29Å; F162-K165 CarbonylContact O-C 3.52Å; F162-K165 PolarHBondContact O-N 3.23Å; F162-L166 HydrophobicContact CE1-CD2 4.18Å; F162-L166 HydrophobicContact CE2-CB 4.49Å; F162-L166 HydrophobicContact CZ-CB 4.4Å; F162-L166 HydrophobicContact CZ-CD2 4.06Å; F162-L166 WeakPolarHBondContact O-CB 3.44Å; F162-L166 PolarHBondContact O-N 3.4Å; F162-Y193 AromaticContact CD1-CD1 3.87Å; F162-Y193 HydrophobicContact CD1-CD1 3.87Å; F162-Y193 AromaticContact CD1-CE1 3.95Å; F162-Y193 HydrophobicContact CD1-CE1 3.95Å; F162-Y193 AromaticContact CE1-CD1 3.55Å; F162-Y193 HydrophobicContact CE1-CD1 3.55Å; F162-Y193 HydrophobicContact CE1-CE1 4.07Å; F162-Y193 HydrophobicContact CE1-CG 4.29Å
163	L	97	Very high	96.7	Very high	15 Å²	15	41.8 Å²	41.8	8%	0.079	21%	0.205	C	C	.	.	H	α-helix	trans	-62.5	-40.3	179.5	-60	177.4	0	0	0	112.3	N159 L160 L166 K167 Y193 Y196 F197	N159-L163 PolarHBondContact O-N 3.37Å; N159-L163 VanDerWaalsContact O-N 3.16Å; L160-L163 HydrophobicContact CD2-CD1 4.23Å; L160-L163 PolarHBondContact O-N 2.87Å; L163-L166 PolarHBondContact O-N 2.83Å; L163-K167 PolarHBondContact O-N 2.86Å; L163-K167 VanDerWaalsContact O-N 3.11Å; L163-Y193 HydrophobicContact CD2-CD1 4.12Å; L163-Y196 HydrophobicContact CD1-CD1 3.65Å; L163-Y196 HydrophobicContact CD1-CE1 3.39Å; L163-Y196 HydrophobicContact CD2-CD1 4.48Å; L163-F197 HydrophobicContact CD2-CB 4.24Å
164	G	97.5	Very high	96.6	Very high	35 Å²	35	43.3 Å²	43.3	36%	0.361	21%	0.211	S	C	.	.	H	α-helix	trans	-60.7	-49.9	171.8	0	0	0	0	0	112.1	L160 F162 L166 K167 E168	L160-G164 PolarHBondContact O-N 2.82Å; F162-G164 VanDerWaalsContact C-N 3.34Å; F162-G164 PolarHBondContact O-N 3.29Å; G164-L166 VanDerWaalsContact C-N 3.31Å; G164-L166 PolarHBondContact O-N 2.79Å; G164-K167 WeakPolarHBondContact O-CB 3.33Å; G164-K167 PolarHBondContact O-N 3.36Å; G164-E168 PolarHBondContact O-N 3.3Å; G164-E168 VanDerWaalsContact O-N 3.14Å
165	K	97.7	Very high	96.5	Very high	70 Å²	70	46 Å²	46	30%	0.304	22%	0.223	S	C	.	.	H	α-helix	trans	-61.6	-37.1	176.2	-71.3	-177.6	71.5	-166	0	112.6	W107 K161 F162 K167 E168 L169	W107-K165 VanDerWaalsContact CD2-NZ 3.34Å; W107-K165 VanDerWaalsContact CG-NZ 3.31Å; W107-K165 HydrophobicContact CH2-CB 3.81Å; W107-K165 VanDerWaalsContact CZ2-C 3.49Å; W107-K165 HydrophobicContact CZ2-CB 3.46Å; W107-K165 VanDerWaalsContact CZ2-CB 3.46Å; W107-K165 WeakPolarHBondContact CZ2-O 3.4Å; K161-K165 WeakPolarHBondContact O-CG 3.01Å; K161-K165 PolarHBondContact O-N 2.67Å; F162-K165 CarbonylContact O-C 3.52Å; F162-K165 PolarHBondContact O-N 3.23Å; K165-K167 VanDerWaalsContact C-N 3.34Å; K165-E168 PolarHBondContact O-N 3.35Å; K165-L169 WeakPolarHBondContact O-CB 3.37Å; K165-L169 PolarHBondContact O-N 2.61Å
166	L	98.4	Very high	96.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.7	-42.3	178.2	177.8	62.1	0	0	0	110.8	V32 A148 F162 L163 G164 L169 I170 L194 F197	V32-L166 HydrophobicContact CG2-CD1 4.24Å; A148-L166 HydrophobicContact CB-CD1 3.95Å; F162-L166 HydrophobicContact CE1-CD2 4.18Å; F162-L166 HydrophobicContact CE2-CB 4.49Å; F162-L166 HydrophobicContact CZ-CB 4.4Å; F162-L166 HydrophobicContact CZ-CD2 4.06Å; F162-L166 WeakPolarHBondContact O-CB 3.44Å; F162-L166 PolarHBondContact O-N 3.4Å; L163-L166 PolarHBondContact O-N 2.83Å; G164-L166 VanDerWaalsContact C-N 3.31Å; G164-L166 PolarHBondContact O-N 2.79Å; L166-L169 HydrophobicContact CD1-CD2 4.48Å; L166-L169 WeakPolarHBondContact O-CB 3.49Å; L166-L169 PolarHBondContact O-N 3.27Å; L166-I170 HydrophobicContact CD1-CD1 4.15Å; L166-I170 HydrophobicContact CD1-CG1 4.47Å; L166-I170 HydrophobicContact CG-CD1 4.12Å; L166-I170 WeakPolarHBondContact O-CG1 3.31Å; L166-I170 PolarHBondContact O-N 3.48Å; L166-L194 HydrophobicContact CD2-CD2 4.15Å; L166-F197 HydrophobicContact CD2-CB 4.41Å; L166-F197 HydrophobicContact CD2-CD1 4.16Å; L166-F197 HydrophobicContact CD2-CD2 4.35Å; L166-F197 HydrophobicContact CD2-CG 4.04Å
167	K	98.2	Very high	95.8	Very high	69 Å²	69	50.9 Å²	50.9	30%	0.3	26%	0.255	S	S	.	.	H	α-helix	trans	-56.9	-52.4	171.9	-172.4	174.4	-178.9	159.8	0	111.3	L163 G164 K165 L169 I170 E171 F197 W205	L163-K167 PolarHBondContact O-N 2.86Å; L163-K167 VanDerWaalsContact O-N 3.11Å; G164-K167 WeakPolarHBondContact O-CB 3.33Å; G164-K167 PolarHBondContact O-N 3.36Å; K165-K167 VanDerWaalsContact C-N 3.34Å; K167-L169 VanDerWaalsContact C-N 3.3Å; K167-L169 PolarHBondContact O-N 3.14Å; K167-I170 PolarHBondContact O-N 2.94Å; K167-E171 WeakPolarHBondContact CE-OE1 3.36Å; K167-E171 WeakPolarHBondContact O-CG 3.43Å; K167-E171 PolarHBondContact O-N 3.38Å; K167-F197 HydrophobicContact CB-CE2 3.93Å; K167-F197 HydrophobicContact CB-CZ 4.01Å; K167-F197 HydrophobicContact CG-CZ 4.4Å; K167-W205 VanDerWaalsContact CE-NE1 3.33Å; K167-W205 HydrophobicContact CG-CZ2 3.81Å
168	E	97.6	Very high	95.6	Very high	111 Å²	111	50.7 Å²	50.7	52%	0.519	26%	0.262	S	S	.	.	H	α-helix	trans	-59.5	-39	177.5	-67.4	171.5	-170.1	0	0	112.2	G164 K165 E171 N172	G164-E168 PolarHBondContact O-N 3.3Å; G164-E168 VanDerWaalsContact O-N 3.14Å; K165-E168 PolarHBondContact O-N 3.35Å; E168-E171 PolarHBondContact O-N 3.41Å; E168-N172 WeakPolarHBondContact O-CB 3.23Å; E168-N172 PolarHBondContact O-N 2.95Å; E168-N172 PolarHBondContact O-ND2 2.94Å
169	L	97.8	Very high	95.7	Very high	2 Å²	2	54 Å²	54	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-61.1	-46.5	177.1	-173.6	81	0	0	0	110.7	A30 W107 R146 A148 K165 L166 K167 T173	A30-L169 HydrophobicContact CB-CD2 4.4Å; W107-L169 HydrophobicContact CZ2-CB 3.91Å; W107-L169 HydrophobicContact CZ2-CD1 4.33Å; W107-L169 HydrophobicContact CZ2-CD2 4.22Å; W107-L169 HydrophobicContact CZ2-CG 4.4Å; R146-L169 PolarHBondContact NH1-O 3.19Å; A148-L169 HydrophobicContact CB-CD2 3.81Å; K165-L169 WeakPolarHBondContact O-CB 3.37Å; K165-L169 PolarHBondContact O-N 2.61Å; L166-L169 HydrophobicContact CD1-CD2 4.48Å; L166-L169 WeakPolarHBondContact O-CB 3.49Å; L166-L169 PolarHBondContact O-N 3.27Å; K167-L169 VanDerWaalsContact C-N 3.3Å; K167-L169 PolarHBondContact O-N 3.14Å; L169-T173 WeakPolarHBondContact O-CB 3.14Å; L169-T173 PolarHBondContact O-N 3.22Å; L169-T173 PolarHBondContact O-OG1 2.91Å
170	I	98	Very high	95.6	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-65.4	-46.7	179.6	-69.6	165.9	0	0	0	110.3	A30 L166 K167 T173 Y174 V182 T184 F197 W205 F209 I210	A30-I170 HydrophobicContact CB-CG1 4.35Å; L166-I170 HydrophobicContact CD1-CD1 4.15Å; L166-I170 HydrophobicContact CD1-CG1 4.47Å; L166-I170 HydrophobicContact CG-CD1 4.12Å; L166-I170 WeakPolarHBondContact O-CG1 3.31Å; L166-I170 PolarHBondContact O-N 3.48Å; K167-I170 PolarHBondContact O-N 2.94Å; I170-T173 PolarHBondContact O-N 3.43Å; I170-Y174 PolarHBondContact O-N 2.78Å; I170-V182 HydrophobicContact CG2-CB 4.29Å; I170-V182 HydrophobicContact CG2-CG2 4.18Å; I170-T184 HydrophobicContact CD1-CG2 4.29Å; I170-F197 HydrophobicContact CD1-CE1 3.8Å; I170-F197 HydrophobicContact CD1-CZ 4.25Å; I170-W205 HydrophobicContact CB-CH2 4.25Å; I170-W205 HydrophobicContact CB-CZ2 4.35Å; I170-W205 HydrophobicContact CD1-CH2 4Å; I170-W205 HydrophobicContact CG2-CH2 3.81Å; I170-W205 HydrophobicContact CG2-CZ2 4.02Å; I170-F209 HydrophobicContact CG2-CB 3.97Å; I170-I210 HydrophobicContact CD1-CD1 4.22Å; I170-I210 HydrophobicContact CG2-CD1 3.78Å
171	E	97.7	Very high	95.6	Very high	48 Å²	48	56.2 Å²	56.2	22%	0.224	29%	0.285	C	S	.	.	H	α-helix	trans	-62.4	-46.7	179	-68.8	178.1	177.9	0	0	111.7	K167 E168 T173 Y174 Y175 W205 F209	K167-E171 WeakPolarHBondContact CE-OE1 3.36Å; K167-E171 WeakPolarHBondContact O-CG 3.43Å; K167-E171 PolarHBondContact O-N 3.38Å; E168-E171 PolarHBondContact O-N 3.41Å; E171-T173 VanDerWaalsContact C-N 3.32Å; E171-T173 PolarHBondContact O-N 2.67Å; E171-Y174 WeakPolarHBondContact O-CB 3.36Å; E171-Y174 PolarHBondContact O-N 3.21Å; E171-Y175 HydrophobicContact CB-CE2 4.24Å; E171-Y175 WeakPolarHBondContact O-CD2 3.37Å; E171-Y175 PolarHBondContact O-N 3.29Å; E171-W205 HydrophobicContact CG-CZ2 4.29Å; E171-W205 PolarHBondContact OE1-NE1 3.14Å; E171-F209 HydrophobicContact CB-CE1 4.16Å; E171-F209 HydrophobicContact CB-CZ 4.46Å; E171-F209 HydrophobicContact CG-CD1 4.12Å; E171-F209 HydrophobicContact CG-CD2 4.37Å; E171-F209 HydrophobicContact CG-CE1 3.8Å; E171-F209 HydrophobicContact CG-CE2 4.05Å; E171-F209 HydrophobicContact CG-CG 4.39Å; E171-F209 HydrophobicContact CG-CZ 3.75Å
172	N	95.8	Very high	95.7	Very high	94 Å²	94	47.8 Å²	47.8	50%	0.503	25%	0.248	S	C	.	.	H	α-helix	trans	-62	-41.1	176.3	-74.9	-37.6	0	0	0	112	E168 Y174 Y175 S176	E168-N172 WeakPolarHBondContact O-CB 3.23Å; E168-N172 PolarHBondContact O-N 2.95Å; E168-N172 PolarHBondContact O-ND2 2.94Å; N172-Y174 VanDerWaalsContact C-N 3.32Å; N172-Y174 PolarHBondContact O-N 3.38Å; N172-Y175 PolarHBondContact O-N 2.95Å; N172-S176 VanDerWaalsContact O-CB 3.27Å; N172-S176 WeakPolarHBondContact O-CB 3.41Å; N172-S176 PolarHBondContact O-N 3.05Å; N172-S176 PolarHBondContact O-OG 3.01Å
173	T	94.9	Very high	95.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.2	-37.1	176.1	-58.4	0	0	0	0	112.1	T28 R146 L169 I170 E171 S176 N177 V182	T28-T173 HydrophobicContact CG2-CG2 4.2Å; T28-T173 WeakPolarHBondContact OG1-CG2 3.47Å; R146-T173 VanDerWaalsContact CD-OG1 3.23Å; R146-T173 WeakPolarHBondContact CD-OG1 3.17Å; R146-T173 PolarHBondContact NH1-OG1 3.25Å; L169-T173 WeakPolarHBondContact O-CB 3.14Å; L169-T173 PolarHBondContact O-N 3.22Å; L169-T173 PolarHBondContact O-OG1 2.91Å; I170-T173 PolarHBondContact O-N 3.43Å; E171-T173 VanDerWaalsContact C-N 3.32Å; E171-T173 PolarHBondContact O-N 2.67Å; T173-S176 PolarHBondContact O-OG 2.8Å; T173-N177 WeakPolarHBondContact O-CB 3.27Å; T173-N177 PolarHBondContact O-N 3.28Å; T173-V182 HydrophobicContact CG2-CG1 4.22Å; T173-V182 HydrophobicContact CG2-CG2 3.8Å
174	Y	95.6	Very high	95.8	Very high	32 Å²	32	46.4 Å²	46.4	13%	0.125	24%	0.242	C	C	.	.	H	α-helix	trans	-63.9	-53	173.1	172.4	-88.1	0	0	0	112.1	I170 E171 N172 N177 N179 K180 K181 K208 F209	I170-Y174 PolarHBondContact O-N 2.78Å; E171-Y174 WeakPolarHBondContact O-CB 3.36Å; E171-Y174 PolarHBondContact O-N 3.21Å; N172-Y174 VanDerWaalsContact C-N 3.32Å; N172-Y174 PolarHBondContact O-N 3.38Å; Y174-N177 PolarHBondContact O-N 3.26Å; Y174-N179 HydrophobicContact CD1-CB 4.41Å; Y174-N179 VanDerWaalsContact CE1-CA 3.47Å; Y174-N179 HydrophobicContact CE1-CB 3.62Å; Y174-N179 WeakPolarHBondContact CE1-OD1 3.27Å; Y174-N179 HydrophobicContact CE2-CB 4.4Å; Y174-N179 WeakPolarHBondContact CE2-O 3.36Å; Y174-N179 VanDerWaalsContact CZ-CA 3.5Å; Y174-N179 VanDerWaalsContact CZ-O 3.3Å; Y174-N179 VanDerWaalsContact O-CA 3.3Å; Y174-N179 WeakPolarHBondContact O-CA 3.05Å; Y174-N179 PolarHBondContact O-N 3.06Å; Y174-N179 PolarHBondContact OH-O 3.01Å; Y174-K180 VanDerWaalsContact CD2-C 3.47Å; Y174-K180 VanDerWaalsContact CD2-O 3.25Å; Y174-K180 WeakPolarHBondContact CD2-O 3.37Å; Y174-K181 HydrophobicContact CE2-CG 4.35Å; Y174-K208 VanDerWaalsContact CE2-O 3.24Å; Y174-K208 WeakPolarHBondContact CE2-O 3.4Å; Y174-F209 AromaticContact CD1-CD1 3.9Å; Y174-F209 HydrophobicContact CD1-CD1 3.9Å; Y174-F209 AromaticContact CD1-CE1 3.73Å; Y174-F209 HydrophobicContact CD1-CE1 3.73Å; Y174-F209 AromaticContact CD2-CD1 3.95Å; Y174-F209 HydrophobicContact CD2-CD1 3.95Å; Y174-F209 HydrophobicContact CE1-CD1 4.49Å; Y174-F209 HydrophobicContact CE1-CE1 4.22Å; Y174-F209 AromaticContact CG-CD1 3.6Å; Y174-F209 HydrophobicContact CG-CD1 3.6Å; Y174-F209 AromaticContact CG-CE1 3.94Å; Y174-F209 HydrophobicContact CG-CE1 3.94Å
175	Y	95.2	Very high	95.8	Very high	112 Å²	112	44.8 Å²	44.8	44%	0.439	23%	0.225	S	C	.	.	H	α-helix	trans	-67.4	-45.8	-175.3	-68	-59.7	0	0	0	112.1	E171 N172 N177 G178 N179 K208 F209	E171-Y175 HydrophobicContact CB-CE2 4.24Å; E171-Y175 WeakPolarHBondContact O-CD2 3.37Å; E171-Y175 PolarHBondContact O-N 3.29Å; N172-Y175 PolarHBondContact O-N 2.95Å; Y175-N177 PolarHBondContact O-N 3.16Å; Y175-G178 PolarHBondContact O-N 3.03Å; Y175-G178 VanDerWaalsContact O-N 3.07Å; Y175-N179 WeakPolarHBondContact CD1-OD1 3.34Å; Y175-K208 PolarHBondContact OH-NZ 2.96Å; Y175-F209 HydrophobicContact CE2-CE1 4.09Å; Y175-F209 HydrophobicContact CE2-CZ 4.43Å; Y175-F209 AromaticContact CZ-CE1 3.99Å
176	S	91.9	Very high	95.9	Very high	89 Å²	89	41.4 Å²	41.4	62%	0.622	21%	0.21	S	C	*	.	H	α-helix	trans	-61.6	-26.7	177.3	57	0	0	0	0	113.4	N172 T173 G178	N172-S176 VanDerWaalsContact O-CB 3.27Å; N172-S176 WeakPolarHBondContact O-CB 3.41Å; N172-S176 PolarHBondContact O-N 3.05Å; N172-S176 PolarHBondContact O-OG 3.01Å; T173-S176 PolarHBondContact O-OG 2.8Å; S176-G178 VanDerWaalsContact C-N 3.29Å; S176-G178 PolarHBondContact O-N 3.13Å
177	N	89.3	Confident	95.9	Very high	13 Å²	13	41.4 Å²	41.4	7%	0.07	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	18	177.7	-166.2	37.3	0	0	0	113.7	K26 T28 T173 Y174 Y175 K180	K26-N177 PolarHBondContact O-ND2 3Å; K26-N177 PolarHBondContact O-OD1 3.38Å; T28-N177 HydrophobicContact CG2-CB 3.76Å; T28-N177 VanDerWaalsContact CG2-CG 3.42Å; T28-N177 VanDerWaalsContact CG2-ND2 3.33Å; T28-N177 WeakPolarHBondContact CG2-ND2 3.43Å; T28-N177 PolarHBondContact OG1-ND2 3.49Å; T173-N177 WeakPolarHBondContact O-CB 3.27Å; T173-N177 PolarHBondContact O-N 3.28Å; Y174-N177 PolarHBondContact O-N 3.26Å; Y175-N177 PolarHBondContact O-N 3.16Å; N177-K180 WeakPolarHBondContact ND2-CB 3.44Å
178	G	90.8	Very high	95.9	Very high	34 Å²	34	38.7 Å²	38.7	35%	0.351	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	44.8	-180	0	0	0	0	0	113	R25 Y175 S176 K180	R25-G178 VanDerWaalsContact NH1-CA 3.27Å; Y175-G178 PolarHBondContact O-N 3.03Å; Y175-G178 VanDerWaalsContact O-N 3.07Å; S176-G178 VanDerWaalsContact C-N 3.29Å; S176-G178 PolarHBondContact O-N 3.13Å; G178-K180 VanDerWaalsContact C-N 3.27Å; G178-K180 PolarHBondContact O-N 2.81Å
179	N	93.8	Very high	96	Very high	93 Å²	93	33.4 Å²	33.4	50%	0.497	18%	0.175	S	C	.	.	S	Bend	trans	63.2	31.7	174.5	-55.5	-29.8	0	0	0	113.8	Y174 Y175	Y174-N179 HydrophobicContact CD1-CB 4.41Å; Y174-N179 VanDerWaalsContact CE1-CA 3.47Å; Y174-N179 HydrophobicContact CE1-CB 3.62Å; Y174-N179 WeakPolarHBondContact CE1-OD1 3.27Å; Y174-N179 HydrophobicContact CE2-CB 4.4Å; Y174-N179 WeakPolarHBondContact CE2-O 3.36Å; Y174-N179 VanDerWaalsContact CZ-CA 3.5Å; Y174-N179 VanDerWaalsContact CZ-O 3.3Å; Y174-N179 VanDerWaalsContact O-CA 3.3Å; Y174-N179 WeakPolarHBondContact O-CA 3.05Å; Y174-N179 PolarHBondContact O-N 3.06Å; Y174-N179 PolarHBondContact OH-O 3.01Å; Y175-N179 WeakPolarHBondContact CD1-OD1 3.34Å
180	K	92.5	Very high	96	Very high	81 Å²	81	33.3 Å²	33.3	35%	0.352	17%	0.174	S	C	.	.	P	Polyproline II helix	trans	-92.8	133.1	173.7	-69.2	-167	174.4	-159	0	109.7	R25 Y174 N177 G178	R25-K180 HydrophobicContact CB-CD 4.04Å; R25-K180 WeakPolarHBondContact O-CD 3.42Å; R25-K180 WeakPolarHBondContact O-CE 3.36Å; R25-K180 PolarHBondContact O-NZ 2.92Å; Y174-K180 VanDerWaalsContact CD2-C 3.47Å; Y174-K180 VanDerWaalsContact CD2-O 3.25Å; Y174-K180 WeakPolarHBondContact CD2-O 3.37Å; N177-K180 WeakPolarHBondContact ND2-CB 3.44Å; G178-K180 VanDerWaalsContact C-N 3.27Å; G178-K180 PolarHBondContact O-N 2.81Å
181	K	95.6	Very high	96	Very high	92 Å²	92	33.3 Å²	33.3	40%	0.4	17%	0.174	S	C	.	.	P	Polyproline II helix	trans	-57.7	148.3	177.1	-55.1	-166.4	-168.4	-179.6	0	111.6	Y174 E207 K208 F209 I210 K211	Y174-K181 HydrophobicContact CE2-CG 4.35Å; K181-E207 WeakPolarHBondContact CE-O 3.29Å; K181-E207 PolarHBondContact NZ-O 2.92Å; K181-K208 WeakPolarHBondContact CG-O 3.25Å; K181-F209 WeakPolarHBondContact CA-O 3.36Å; K181-I210 WeakPolarHBondContact CD-O 3.36Å; K181-K211 HydrophobicContact CB-CB 3.82Å
182	V	97.2	Very high	96.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	138.3	-175	-176.9	0	0	0	0	109.8	T28 A30 I170 T173 F209 I210 K211	T28-V182 CarbonylContact O-C 3.57Å; T28-V182 WeakPolarHBondContact O-CA 3.47Å; T28-V182 WeakPolarHBondContact O-CG1 3.4Å; A30-V182 HydrophobicContact CB-CG1 4.11Å; I170-V182 HydrophobicContact CG2-CB 4.29Å; I170-V182 HydrophobicContact CG2-CG2 4.18Å; T173-V182 HydrophobicContact CG2-CG1 4.22Å; T173-V182 HydrophobicContact CG2-CG2 3.8Å; V182-F209 PolarHBondContact N-O 3.14Å; V182-I210 WeakPolarHBondContact O-CA 3.36Å; V182-K211 PolarHBondContact O-N 3.48Å
183	V	98	Very high	96.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	127.9	164.3	170.8	0	0	0	0	108.3	V27 T28 L29 A30 I185 K211 S212 I214 L403	V27-V183 HydrophobicContact CG1-CB 4.09Å; V27-V183 HydrophobicContact CG1-CG2 3.47Å; V27-V183 VanDerWaalsContact CG1-CG2 3.47Å; T28-V183 PolarHBondContact O-N 2.82Å; L29-V183 VanDerWaalsContact CA-O 3.26Å; L29-V183 WeakPolarHBondContact CA-O 3.48Å; L29-V183 HydrophobicContact CD2-CB 4.15Å; L29-V183 HydrophobicContact CD2-CG1 4.04Å; A30-V183 PolarHBondContact N-O 2.96Å; V183-I185 HydrophobicContact CG1-CG1 4.34Å; V183-K211 HydrophobicContact CG2-CB 3.87Å; V183-K211 HydrophobicContact CG2-CD 3.96Å; V183-K211 HydrophobicContact CG2-CG 4.25Å; V183-S212 WeakPolarHBondContact CA-O 3.47Å; V183-I214 HydrophobicContact CG1-CD1 3.81Å; V183-I214 HydrophobicContact CG1-CG1 3.9Å; V183-L403 HydrophobicContact CB-CD2 4.09Å; V183-L403 HydrophobicContact CG1-CD2 4.09Å; V183-L403 HydrophobicContact CG2-CD2 4.05Å
184	T	98.6	Very high	96.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	142.3	171.5	62.9	0	0	0	0	109.4	A30 I170 L194 Y198 I210 S212 H213 I214	A30-T184 WeakPolarHBondContact O-CA 3.32Å; I170-T184 HydrophobicContact CD1-CG2 4.29Å; T184-L194 HydrophobicContact CG2-CD2 4.23Å; T184-Y198 WeakPolarHBondContact CB-OH 3.37Å; T184-Y198 WeakPolarHBondContact CG2-OH 3.14Å; T184-Y198 PolarHBondContact OG1-OH 3.05Å; T184-I210 HydrophobicContact CG2-CD1 4.15Å; T184-S212 PolarHBondContact N-O 3.02Å; T184-S212 VanDerWaalsContact N-O 3.09Å; T184-H213 WeakPolarHBondContact OG1-CA 3.39Å; T184-H213 PolarHBondContact OG1-ND1 3.29Å; T184-I214 PolarHBondContact O-N 3.47Å
185	I	98.6	Very high	96.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	118.1	171	-54.4	-165.6	0	0	0	107.8	L29 A30 C31 V32 M130 M134 V183 I214 L216 I399	L29-I185 HydrophobicContact CD2-CD1 3.52Å; L29-I185 HydrophobicContact CD2-CG1 3.79Å; A30-I185 PolarHBondContact O-N 2.88Å; C31-I185 CarbonylContact C-O 3.53Å; C31-I185 VanDerWaalsContact CA-O 3.32Å; C31-I185 WeakPolarHBondContact CA-O 3.37Å; V32-I185 PolarHBondContact N-O 3.31Å; M130-I185 HydrophobicContact CE-CG2 4.11Å; M130-I185 HydrophobicContact SD-CD1 4.33Å; M130-I185 HydrophobicContact SD-CG2 4.43Å; M134-I185 HydrophobicContact CE-CD1 3.48Å; M134-I185 VanDerWaalsContact CE-CD1 3.48Å; V183-I185 HydrophobicContact CG1-CG1 4.34Å; I185-I214 VanDerWaalsContact CA-O 3.31Å; I185-I214 WeakPolarHBondContact CA-O 3.46Å; I185-I214 HydrophobicContact CD1-CD1 4.16Å; I185-I214 HydrophobicContact CG1-CB 4.11Å; I185-I214 HydrophobicContact CG1-CD1 4.33Å; I185-L216 HydrophobicContact CG2-CD1 3.74Å; I185-L216 HydrophobicContact CG2-CG 4.15Å; I185-I399 HydrophobicContact CD1-CG2 4.34Å
186	G	98.7	Very high	96.7	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	138.1	172.4	0	0	0	0	0	109.9	N191 I214 L216	G186-N191 WeakPolarHBondContact CA-OD1 3.34Å; G186-N191 PolarHBondContact O-ND2 2.93Å; G186-N191 PolarHBondContact O-OD1 2.79Å; G186-N191 VanDerWaalsContact O-OD1 3.13Å; G186-I214 PolarHBondContact N-O 3.38Å; G186-L216 WeakPolarHBondContact O-CB 3.5Å; G186-L216 PolarHBondContact O-N 2.8Å
187	H	98.7	Very high	97	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	135.8	166.5	-179.6	-107.4	0	0	0	110.6	V32 P33 G34 Y126 F127 L189 G190 N191 L216 H386 L390	V32-H187 PolarHBondContact O-N 3.33Å; P33-H187 CarbonylContact C-O 3.59Å; G34-H187 WeakPolarHBondContact CA-O 3.23Å; G34-H187 PolarHBondContact N-O 2.84Å; Y126-H187 AromaticContact CE2-CE1 3.73Å; Y126-H187 AromaticContact CE2-ND1 3.5Å; Y126-H187 AromaticContact CZ-CE1 3.99Å; Y126-H187 AromaticContact CZ-ND1 3.31Å; Y126-H187 VanDerWaalsContact CZ-ND1 3.31Å; Y126-H187 PolarHBondContact OH-ND1 3.49Å; F127-H187 HydrophobicContact CE2-CB 3.93Å; F127-H187 HydrophobicContact CZ-CB 3.77Å; H187-L189 PolarHBondContact O-N 3.07Å; H187-G190 PolarHBondContact O-N 2.77Å; H187-N191 VanDerWaalsContact C-ND2 3.29Å; H187-N191 WeakPolarHBondContact CA-ND2 3.45Å; H187-N191 PolarHBondContact N-ND2 3.14Å; H187-L216 CarbonylContact C-O 3.47Å; H187-L216 WeakPolarHBondContact CA-O 3.36Å; H187-L216 HydrophobicContact CB-CB 4.48Å; H187-H386 PolarHBondContact NE2-O 3.2Å; H187-L390 HydrophobicContact CB-CD2 4.09Å
188	S	98.5	Very high	97.4	Very high	11 Å²	11	17.2 Å²	17.2	8%	0.077	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	-128.3	177	-172.3	0	0	0	0	112.2	G190 N191 L216 A217 P219 H386	S188-G190 PolarHBondContact O-N 2.88Å; S188-N191 PolarHBondContact N-ND2 3.18Å; S188-N191 VanDerWaalsContact N-ND2 3.16Å; S188-N191 VanDerWaalsContact O-CB 3.31Å; S188-N191 WeakPolarHBondContact O-CB 3.4Å; S188-N191 PolarHBondContact O-N 2.75Å; S188-N191 PolarHBondContact O-ND2 2.77Å; S188-L216 PolarHBondContact N-O 2.88Å; S188-A217 WeakPolarHBondContact CA-O 3.46Å; S188-P219 VanDerWaalsContact C-CD 3.4Å; S188-P219 WeakPolarHBondContact O-CD 3.39Å; S188-H386 VanDerWaalsContact CB-NE2 3.33Å; S188-H386 WeakPolarHBondContact CB-NE2 3.24Å; S188-H386 PolarHBondContact OG-CE1 2.84Å; S188-H386 PolarHBondContact OG-NE2 2.73Å
189	L	98.3	Very high	97.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-49.3	-30.7	176.7	176.5	60.2	0	0	0	114.1	D35 Y150 H187 N191 L192 Y193 F260 L261	D35-L189 HydrophobicContact CB-CB 4.22Å; D35-L189 HydrophobicContact CB-CD2 3.87Å; Y150-L189 HydrophobicContact CE2-CD2 4.48Å; H187-L189 PolarHBondContact O-N 3.07Å; L189-N191 PolarHBondContact O-N 2.85Å; L189-N191 VanDerWaalsContact O-N 3.13Å; L189-L192 HydrophobicContact CD1-CB 4.33Å; L189-L192 HydrophobicContact CD1-CD1 4.16Å; L189-L192 PolarHBondContact O-N 3.22Å; L189-Y193 HydrophobicContact CD1-CD2 4.18Å; L189-Y193 HydrophobicContact CD1-CE2 4.26Å; L189-Y193 HydrophobicContact CD2-CE2 4.29Å; L189-Y193 HydrophobicContact CG-CD2 4.01Å; L189-Y193 HydrophobicContact CG-CE2 4.14Å; L189-Y193 PolarHBondContact O-N 3.34Å; L189-Y193 VanDerWaalsContact O-N 3.14Å; L189-F260 HydrophobicContact CD1-CD1 3.97Å; L189-F260 HydrophobicContact CD1-CE1 4.13Å; L189-L261 HydrophobicContact CB-CD1 4.42Å; L189-L261 HydrophobicContact CD1-CD1 4.13Å; L189-L261 HydrophobicContact CD1-CD2 3.96Å; L189-L261 HydrophobicContact CD1-CG 4.03Å; L189-L261 HydrophobicContact CD2-CD1 4.33Å
190	G	98.6	Very high	97.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-57.7	-27.7	176.8	0	0	0	0	0	113.4	P33 H187 S188 Y193 L194	P33-G190 WeakPolarHBondContact O-CA 3.37Å; P33-G190 PolarHBondContact O-N 2.8Å; H187-G190 PolarHBondContact O-N 2.77Å; S188-G190 PolarHBondContact O-N 2.88Å; G190-Y193 WeakPolarHBondContact O-CB 3.44Å; G190-Y193 PolarHBondContact O-N 2.89Å; G190-L194 WeakPolarHBondContact O-CG 3.47Å; G190-L194 PolarHBondContact O-N 3.49Å
191	N	98.8	Very high	98.1	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-69.9	-37.8	174.1	-67.4	-74.3	0	0	0	113	G186 H187 S188 L189 Y193 L194 L195 H213 S215 L216 A218 Y220	G186-N191 WeakPolarHBondContact CA-OD1 3.34Å; G186-N191 PolarHBondContact O-ND2 2.93Å; G186-N191 PolarHBondContact O-OD1 2.79Å; G186-N191 VanDerWaalsContact O-OD1 3.13Å; H187-N191 VanDerWaalsContact C-ND2 3.29Å; H187-N191 WeakPolarHBondContact CA-ND2 3.45Å; H187-N191 PolarHBondContact N-ND2 3.14Å; S188-N191 PolarHBondContact N-ND2 3.18Å; S188-N191 VanDerWaalsContact N-ND2 3.16Å; S188-N191 VanDerWaalsContact O-CB 3.31Å; S188-N191 WeakPolarHBondContact O-CB 3.4Å; S188-N191 PolarHBondContact O-N 2.75Å; S188-N191 PolarHBondContact O-ND2 2.77Å; L189-N191 PolarHBondContact O-N 2.85Å; L189-N191 VanDerWaalsContact O-N 3.13Å; N191-Y193 VanDerWaalsContact C-N 3.33Å; N191-L194 PolarHBondContact O-N 3.15Å; N191-L195 VanDerWaalsContact O-CB 3.3Å; N191-L195 WeakPolarHBondContact O-CB 3.39Å; N191-L195 PolarHBondContact O-N 2.68Å; N191-H213 PolarHBondContact OD1-CE1 2.96Å; N191-H213 PolarHBondContact OD1-NE2 2.86Å; N191-S215 WeakPolarHBondContact OD1-CA 3.32Å; N191-S215 VanDerWaalsContact OD1-CB 3.26Å; N191-S215 WeakPolarHBondContact OD1-CB 3.06Å; N191-S215 PolarHBondContact OD1-OG 2.58Å; N191-L216 PolarHBondContact ND2-O 3.28Å; N191-A218 HydrophobicContact CB-CB 3.48Å; N191-A218 VanDerWaalsContact CB-CB 3.48Å; N191-Y220 HydrophobicContact CB-CE1 4.34Å
192	L	98.5	Very high	98.2	Very high	6 Å²	6	13.8 Å²	13.8	3%	0.031	8%	0.078	C	C	.	.	H	α-helix	trans	-69	-37.2	175.5	-62.5	-178.5	0	0	0	110.7	L189 L195 Y196 P219 Y220 F260 L261 I310	L189-L192 HydrophobicContact CD1-CB 4.33Å; L189-L192 HydrophobicContact CD1-CD1 4.16Å; L189-L192 PolarHBondContact O-N 3.22Å; L192-L195 PolarHBondContact O-N 3.11Å; L192-Y196 WeakPolarHBondContact O-CB 3.48Å; L192-Y196 PolarHBondContact O-N 3.42Å; L192-P219 HydrophobicContact CD1-CG 4.23Å; L192-Y220 HydrophobicContact CD2-CD1 3.98Å; L192-F260 HydrophobicContact CB-CE1 3.56Å; L192-F260 HydrophobicContact CB-CZ 3.92Å; L192-F260 HydrophobicContact CD1-CD1 4.17Å; L192-F260 HydrophobicContact CD1-CE1 3.63Å; L192-F260 HydrophobicContact CD1-CZ 4.08Å; L192-F260 HydrophobicContact CG-CE1 4.22Å; L192-L261 HydrophobicContact CD1-CD2 3.53Å; L192-I310 HydrophobicContact CB-CD1 4.2Å; L192-I310 HydrophobicContact CD2-CD1 4.22Å; L192-I310 WeakPolarHBondContact O-CD1 3.27Å
193	Y	98.5	Very high	98.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-59.3	-47.7	170.7	-96.4	-86	0	0	0	112.5	Y150 R154 A155 P156 N159 F162 L163 L189 G190 N191 F197	Y150-Y193 HydrophobicContact CD2-CD2 4.4Å; Y150-Y193 HydrophobicContact CD2-CE1 4.27Å; Y150-Y193 AromaticContact CD2-CE2 3.92Å; Y150-Y193 HydrophobicContact CD2-CE2 3.92Å; Y150-Y193 AromaticContact CD2-CZ 3.85Å; Y150-Y193 AromaticContact CE2-CD2 3.63Å; Y150-Y193 HydrophobicContact CE2-CD2 3.63Å; Y150-Y193 HydrophobicContact CE2-CE1 4.39Å; Y150-Y193 AromaticContact CE2-CE2 3.29Å; Y150-Y193 HydrophobicContact CE2-CE2 3.29Å; Y150-Y193 HydrophobicContact CE2-CG 4.31Å; Y150-Y193 AromaticContact CE2-CZ 3.72Å; Y150-Y193 AromaticContact CZ-CD2 3.84Å; Y150-Y193 AromaticContact CZ-CE2 3.99Å; R154-Y193 PolarHBondContact O-OH 3.4Å; A155-Y193 PolarHBondContact O-OH 3.46Å; A155-Y193 VanDerWaalsContact O-OH 3.12Å; P156-Y193 HydrophobicContact CB-CD1 4.24Å; P156-Y193 HydrophobicContact CB-CE1 4Å; P156-Y193 HydrophobicContact CG-CD1 4.08Å; P156-Y193 HydrophobicContact CG-CD2 4.28Å; P156-Y193 HydrophobicContact CG-CE1 3.95Å; P156-Y193 HydrophobicContact CG-CE2 4.14Å; P156-Y193 HydrophobicContact CG-CG 4.25Å; N159-Y193 HydrophobicContact CB-CE1 3.9Å; N159-Y193 PolarHBondContact ND2-OH 3.33Å; F162-Y193 AromaticContact CD1-CD1 3.87Å; F162-Y193 HydrophobicContact CD1-CD1 3.87Å; F162-Y193 AromaticContact CD1-CE1 3.95Å; F162-Y193 HydrophobicContact CD1-CE1 3.95Å; F162-Y193 AromaticContact CE1-CD1 3.55Å; F162-Y193 HydrophobicContact CE1-CD1 3.55Å; F162-Y193 HydrophobicContact CE1-CE1 4.07Å; F162-Y193 HydrophobicContact CE1-CG 4.29Å; L163-Y193 HydrophobicContact CD2-CD1 4.12Å; L189-Y193 HydrophobicContact CD1-CD2 4.18Å; L189-Y193 HydrophobicContact CD1-CE2 4.26Å; L189-Y193 HydrophobicContact CD2-CE2 4.29Å; L189-Y193 HydrophobicContact CG-CD2 4.01Å; L189-Y193 HydrophobicContact CG-CE2 4.14Å; L189-Y193 PolarHBondContact O-N 3.34Å; L189-Y193 VanDerWaalsContact O-N 3.14Å; G190-Y193 WeakPolarHBondContact O-CB 3.44Å; G190-Y193 PolarHBondContact O-N 2.89Å; N191-Y193 VanDerWaalsContact C-N 3.33Å; Y193-F197 VanDerWaalsContact O-CB 3.25Å; Y193-F197 WeakPolarHBondContact O-CB 3.49Å; Y193-F197 PolarHBondContact O-N 2.68Å
194	L	98.6	Very high	98.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64	-40.7	176.6	-78	167.2	0	0	0	111.8	V32 L166 T184 G190 N191 F197 Y198 H213	V32-L194 HydrophobicContact CB-CD1 4.02Å; V32-L194 HydrophobicContact CB-CG 4.24Å; V32-L194 HydrophobicContact CG2-CD1 3.84Å; V32-L194 HydrophobicContact CG2-CD2 3.86Å; V32-L194 HydrophobicContact CG2-CG 3.82Å; L166-L194 HydrophobicContact CD2-CD2 4.15Å; T184-L194 HydrophobicContact CG2-CD2 4.23Å; G190-L194 WeakPolarHBondContact O-CG 3.47Å; G190-L194 PolarHBondContact O-N 3.49Å; N191-L194 PolarHBondContact O-N 3.15Å; L194-F197 WeakPolarHBondContact O-CB 3.34Å; L194-F197 PolarHBondContact O-N 2.78Å; L194-Y198 HydrophobicContact CB-CD2 4.46Å; L194-Y198 HydrophobicContact CB-CE2 3.96Å; L194-Y198 HydrophobicContact CD2-CE2 4.5Å; L194-Y198 WeakPolarHBondContact O-CD2 3.36Å; L194-Y198 VanDerWaalsContact O-CG 3.23Å; L194-Y198 PolarHBondContact O-N 2.6Å; L194-H213 VanDerWaalsContact CD1-CE1 3.43Å; L194-H213 WeakPolarHBondContact CD1-CE1 3.35Å
195	L	98.5	Very high	98.2	Very high	3 Å²	3	22.1 Å²	22.1	2%	0.016	13%	0.125	C	C	.	.	H	α-helix	trans	-63.8	-49	177.7	-175.8	60.5	0	0	0	112	N191 L192 F197 Y198 N199 Y220 I310 L313 D314 P316 W368	N191-L195 VanDerWaalsContact O-CB 3.3Å; N191-L195 WeakPolarHBondContact O-CB 3.39Å; N191-L195 PolarHBondContact O-N 2.68Å; L192-L195 PolarHBondContact O-N 3.11Å; L195-F197 VanDerWaalsContact C-N 3.29Å; L195-F197 PolarHBondContact O-N 2.79Å; L195-Y198 PolarHBondContact O-N 2.73Å; L195-N199 VanDerWaalsContact O-CG 3.31Å; L195-N199 PolarHBondContact O-N 3.44Å; L195-Y220 HydrophobicContact CD2-CD1 4.12Å; L195-Y220 HydrophobicContact CD2-CE1 4.16Å; L195-I310 HydrophobicContact CB-CD1 4.11Å; L195-I310 HydrophobicContact CD2-CD1 4.04Å; L195-I310 HydrophobicContact CD2-CG2 3.79Å; L195-I310 HydrophobicContact CG-CD1 4.15Å; L195-I310 HydrophobicContact CG-CG2 4.41Å; L195-L313 HydrophobicContact CD2-CD1 3.45Å; L195-L313 VanDerWaalsContact CD2-CD1 3.45Å; L195-D314 WeakPolarHBondContact CD1-O 2.88Å; L195-P316 HydrophobicContact CD1-CB 3.88Å; L195-P316 HydrophobicContact CD1-CG 4.38Å; L195-W368 HydrophobicContact CD1-CH2 3.89Å; L195-W368 HydrophobicContact CD1-CZ2 3.83Å; L195-W368 HydrophobicContact CD2-CH2 3.96Å; L195-W368 HydrophobicContact CD2-CZ2 3.69Å; L195-W368 HydrophobicContact CG-CZ2 4.44Å
196	Y	98.2	Very high	98.2	Very high	41 Å²	41	22.9 Å²	22.9	16%	0.161	13%	0.129	C	C	.	.	H	α-helix	trans	-55.4	-47.4	172.4	179.6	-96.2	0	0	0	110.8	P156 L163 L192 Y198 N199 T200 L309	P156-Y196 HydrophobicContact CB-CD1 3.5Å; P156-Y196 HydrophobicContact CB-CD2 4.28Å; P156-Y196 HydrophobicContact CB-CE1 3.93Å; P156-Y196 HydrophobicContact CB-CG 3.7Å; P156-Y196 HydrophobicContact CG-CG 4.3Å; L163-Y196 HydrophobicContact CD1-CD1 3.65Å; L163-Y196 HydrophobicContact CD1-CE1 3.39Å; L163-Y196 HydrophobicContact CD2-CD1 4.48Å; L192-Y196 WeakPolarHBondContact O-CB 3.48Å; L192-Y196 PolarHBondContact O-N 3.42Å; Y196-Y198 PolarHBondContact O-N 2.91Å; Y196-N199 PolarHBondContact O-N 3.31Å; Y196-T200 HydrophobicContact CD1-CG2 4.48Å; Y196-T200 HydrophobicContact CE1-CG2 4.1Å; Y196-T200 WeakPolarHBondContact O-CG2 3.38Å; Y196-T200 PolarHBondContact O-N 3.14Å; Y196-L309 HydrophobicContact CD2-CB 3.96Å; Y196-L309 WeakPolarHBondContact CD2-O 3.35Å; Y196-L309 HydrophobicContact CE2-CB 4.02Å; Y196-L309 HydrophobicContact CE2-CD2 3.91Å; Y196-L309 HydrophobicContact CE2-CG 4.49Å
197	F	98.2	Very high	98.2	Very high	1 Å²	1	27.2 Å²	27.2	0%	0.004	15%	0.149	C	C	.	.	H	α-helix	trans	-56.4	-49.6	176.6	173.3	-108.3	0	0	0	111.9	L163 L166 K167 I170 Y193 L194 L195 N199 T200 Q201 W205	L163-F197 HydrophobicContact CD2-CB 4.24Å; L166-F197 HydrophobicContact CD2-CB 4.41Å; L166-F197 HydrophobicContact CD2-CD1 4.16Å; L166-F197 HydrophobicContact CD2-CD2 4.35Å; L166-F197 HydrophobicContact CD2-CG 4.04Å; K167-F197 HydrophobicContact CB-CE2 3.93Å; K167-F197 HydrophobicContact CB-CZ 4.01Å; K167-F197 HydrophobicContact CG-CZ 4.4Å; I170-F197 HydrophobicContact CD1-CE1 3.8Å; I170-F197 HydrophobicContact CD1-CZ 4.25Å; Y193-F197 VanDerWaalsContact O-CB 3.25Å; Y193-F197 WeakPolarHBondContact O-CB 3.49Å; Y193-F197 PolarHBondContact O-N 2.68Å; L194-F197 WeakPolarHBondContact O-CB 3.34Å; L194-F197 PolarHBondContact O-N 2.78Å; L195-F197 VanDerWaalsContact C-N 3.29Å; L195-F197 PolarHBondContact O-N 2.79Å; F197-N199 VanDerWaalsContact C-N 3.29Å; F197-N199 PolarHBondContact O-N 2.69Å; F197-T200 PolarHBondContact O-N 2.7Å; F197-T200 PolarHBondContact O-OG1 3.31Å; F197-Q201 HydrophobicContact CD2-CG 4.32Å; F197-Q201 HydrophobicContact CE1-CG 4.08Å; F197-Q201 HydrophobicContact CE2-CG 3.86Å; F197-Q201 HydrophobicContact CZ-CG 3.73Å; F197-Q201 WeakPolarHBondContact O-CG 3.34Å; F197-Q201 PolarHBondContact O-N 2.72Å; F197-W205 AromaticContact CE1-CH2 3.57Å; F197-W205 HydrophobicContact CE1-CH2 3.57Å; F197-W205 AromaticContact CE1-CZ3 3.73Å; F197-W205 HydrophobicContact CE1-CZ3 3.73Å; F197-W205 AromaticContact CZ-CH2 3.51Å; F197-W205 HydrophobicContact CZ-CH2 3.51Å; F197-W205 HydrophobicContact CZ-CZ2 4.08Å; F197-W205 AromaticContact CZ-CZ3 3.93Å; F197-W205 HydrophobicContact CZ-CZ3 3.93Å
198	Y	98.2	Very high	98.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.9	-36.9	179.1	-67.6	-45.6	0	0	0	113.6	T184 L194 L195 Y196 T200 Q201 K206 I210 H213 P316 V318	T184-Y198 WeakPolarHBondContact CB-OH 3.37Å; T184-Y198 WeakPolarHBondContact CG2-OH 3.14Å; T184-Y198 PolarHBondContact OG1-OH 3.05Å; L194-Y198 HydrophobicContact CB-CD2 4.46Å; L194-Y198 HydrophobicContact CB-CE2 3.96Å; L194-Y198 HydrophobicContact CD2-CE2 4.5Å; L194-Y198 WeakPolarHBondContact O-CD2 3.36Å; L194-Y198 VanDerWaalsContact O-CG 3.23Å; L194-Y198 PolarHBondContact O-N 2.6Å; L195-Y198 PolarHBondContact O-N 2.73Å; Y196-Y198 PolarHBondContact O-N 2.91Å; Y198-T200 PolarHBondContact O-N 3.5Å; Y198-Q201 PolarHBondContact O-N 3.25Å; Y198-K206 HydrophobicContact CD1-CD 4.16Å; Y198-K206 HydrophobicContact CD1-CG 4.41Å; Y198-K206 PolarHBondContact O-NZ 3.35Å; Y198-I210 HydrophobicContact CE1-CD1 4.21Å; Y198-I210 HydrophobicContact CE1-CG1 4.06Å; Y198-H213 HydrophobicContact CE2-CB 4.16Å; Y198-H213 AromaticContact CE2-CG 3.99Å; Y198-P316 HydrophobicContact CD2-CB 3.55Å; Y198-P316 HydrophobicContact CE2-CB 4.39Å; Y198-P316 HydrophobicContact CG-CB 3.98Å; Y198-V318 HydrophobicContact CE2-CG2 4.38Å
199	N	97	Very high	98.1	Very high	60 Å²	60	31.4 Å²	31.4	32%	0.321	17%	0.166	S	C	.	.	H	α-helix	trans	-72.8	-13.4	179.4	-66.5	-5.5	0	0	0	112.4	L195 Y196 F197 D314	L195-N199 VanDerWaalsContact O-CG 3.31Å; L195-N199 PolarHBondContact O-N 3.44Å; Y196-N199 PolarHBondContact O-N 3.31Å; F197-N199 VanDerWaalsContact C-N 3.29Å; F197-N199 PolarHBondContact O-N 2.69Å; N199-D314 PolarHBondContact ND2-O 3.1Å
200	T	96.1	Very high	98.1	Very high	73 Å²	73	31.7 Å²	31.7	45%	0.448	17%	0.168	S	C	.	.	H	α-helix	trans	-96.6	-8.8	172	66.8	0	0	0	0	114.2	Y196 F197 Y198	Y196-T200 HydrophobicContact CD1-CG2 4.48Å; Y196-T200 HydrophobicContact CE1-CG2 4.1Å; Y196-T200 WeakPolarHBondContact O-CG2 3.38Å; Y196-T200 PolarHBondContact O-N 3.14Å; F197-T200 PolarHBondContact O-N 2.7Å; F197-T200 PolarHBondContact O-OG1 3.31Å; Y198-T200 PolarHBondContact O-N 3.5Å
201	Q	97.8	Very high	98	Very high	32 Å²	32	34.5 Å²	34.5	15%	0.15	18%	0.18	C	C	.	.	S	Bend	trans	-98.5	146.9	179.5	-59.8	-44.1	-63.9	0	0	111.9	F197 Y198 W205 K206	F197-Q201 HydrophobicContact CD2-CG 4.32Å; F197-Q201 HydrophobicContact CE1-CG 4.08Å; F197-Q201 HydrophobicContact CE2-CG 3.86Å; F197-Q201 HydrophobicContact CZ-CG 3.73Å; F197-Q201 WeakPolarHBondContact O-CG 3.34Å; F197-Q201 PolarHBondContact O-N 2.72Å; Y198-Q201 PolarHBondContact O-N 3.25Å; Q201-W205 HydrophobicContact CB-CD2 4.24Å; Q201-W205 HydrophobicContact CB-CE3 3.73Å; Q201-W205 HydrophobicContact CB-CZ3 4.37Å; Q201-W205 HydrophobicContact CG-CD2 4.2Å; Q201-W205 HydrophobicContact CG-CE3 3.74Å; Q201-W205 HydrophobicContact CG-CZ3 3.98Å; Q201-K206 HydrophobicContact CB-CG 4.17Å
202	S	98.2	Very high	97.9	Very high	62 Å²	62	34.6 Å²	34.6	43%	0.434	18%	0.18	S	C	.	.			trans	-63.2	150.4	173.3	71.7	0	0	0	0	111.2	S204 W205 K206	S202-S204 PolarHBondContact O-N 2.9Å; S202-S204 PolarHBondContact OG-OG 2.76Å; S202-W205 WeakPolarHBondContact O-CB 3.19Å; S202-W205 PolarHBondContact O-N 3.23Å; S202-W205 VanDerWaalsContact O-N 3.13Å; S202-W205 WeakPolarHBondContact OG-CB 3.4Å; S202-W205 PolarHBondContact OG-N 3.35Å; S202-W205 VanDerWaalsContact OG-N 3.12Å; S202-K206 PolarHBondContact O-N 3.3Å; S202-K206 VanDerWaalsContact O-N 3.11Å
203	Q	98	Very high	97.9	Very high	73 Å²	73	34.4 Å²	34.4	34%	0.341	18%	0.179	S	C	.	.	H	α-helix	trans	-58.7	-38.4	175.3	-171.3	59.1	29.3	0	0	111.8	W205 K206 E207 G317	Q203-W205 VanDerWaalsContact C-N 3.34Å; Q203-W205 PolarHBondContact O-N 2.89Å; Q203-K206 PolarHBondContact O-N 2.9Å; Q203-E207 HydrophobicContact CG-CG 4.49Å; Q203-E207 PolarHBondContact NE2-OE1 2.92Å; Q203-E207 WeakPolarHBondContact O-CB 3.43Å; Q203-E207 WeakPolarHBondContact O-CG 3.38Å; Q203-E207 PolarHBondContact O-N 3.19Å; Q203-G317 PolarHBondContact NE2-O 3.03Å
204	S	98.3	Very high	98	Very high	83 Å²	83	34.4 Å²	34.4	58%	0.58	18%	0.179	S	C	*	.	H	α-helix	trans	-62.1	-37.2	176	56.3	0	0	0	0	113.2	S202 K208	S202-S204 PolarHBondContact O-N 2.9Å; S202-S204 PolarHBondContact OG-OG 2.76Å; S204-K208 WeakPolarHBondContact O-CB 3.45Å; S204-K208 PolarHBondContact O-N 2.89Å
205	W	98.6	Very high	98	Very high	19 Å²	19	34.4 Å²	34.4	7%	0.072	18%	0.179	C	C	.	.	H	α-helix	trans	-65.9	-47.6	174.6	-177	94.7	0	0	0	110.5	K167 I170 E171 F197 Q201 S202 Q203 E207 K208 F209 I210	K167-W205 VanDerWaalsContact CE-NE1 3.33Å; K167-W205 HydrophobicContact CG-CZ2 3.81Å; I170-W205 HydrophobicContact CB-CH2 4.25Å; I170-W205 HydrophobicContact CB-CZ2 4.35Å; I170-W205 HydrophobicContact CD1-CH2 4Å; I170-W205 HydrophobicContact CG2-CH2 3.81Å; I170-W205 HydrophobicContact CG2-CZ2 4.02Å; E171-W205 HydrophobicContact CG-CZ2 4.29Å; E171-W205 PolarHBondContact OE1-NE1 3.14Å; F197-W205 AromaticContact CE1-CH2 3.57Å; F197-W205 HydrophobicContact CE1-CH2 3.57Å; F197-W205 AromaticContact CE1-CZ3 3.73Å; F197-W205 HydrophobicContact CE1-CZ3 3.73Å; F197-W205 AromaticContact CZ-CH2 3.51Å; F197-W205 HydrophobicContact CZ-CH2 3.51Å; F197-W205 HydrophobicContact CZ-CZ2 4.08Å; F197-W205 AromaticContact CZ-CZ3 3.93Å; F197-W205 HydrophobicContact CZ-CZ3 3.93Å; Q201-W205 HydrophobicContact CB-CD2 4.24Å; Q201-W205 HydrophobicContact CB-CE3 3.73Å; Q201-W205 HydrophobicContact CB-CZ3 4.37Å; Q201-W205 HydrophobicContact CG-CD2 4.2Å; Q201-W205 HydrophobicContact CG-CE3 3.74Å; Q201-W205 HydrophobicContact CG-CZ3 3.98Å; S202-W205 WeakPolarHBondContact O-CB 3.19Å; S202-W205 PolarHBondContact O-N 3.23Å; S202-W205 VanDerWaalsContact O-N 3.13Å; S202-W205 WeakPolarHBondContact OG-CB 3.4Å; S202-W205 PolarHBondContact OG-N 3.35Å; S202-W205 VanDerWaalsContact OG-N 3.12Å; Q203-W205 VanDerWaalsContact C-N 3.34Å; Q203-W205 PolarHBondContact O-N 2.89Å; W205-E207 VanDerWaalsContact C-N 3.32Å; W205-E207 PolarHBondContact O-N 2.83Å; W205-K208 PolarHBondContact O-N 2.98Å; W205-K208 VanDerWaalsContact O-N 3.15Å; W205-F209 AromaticContact CD1-CD2 3.45Å; W205-F209 VanDerWaalsContact CD1-CD2 3.45Å; W205-F209 AromaticContact CD1-CE2 3.43Å; W205-F209 VanDerWaalsContact CD1-CE2 3.43Å; W205-F209 AromaticContact CD2-CD2 3.8Å; W205-F209 HydrophobicContact CD2-CD2 3.8Å; W205-F209 AromaticContact CE2-CD2 3.47Å; W205-F209 VanDerWaalsContact CE2-CD2 3.47Å; W205-F209 AromaticContact CG-CD2 3.77Å; W205-F209 HydrophobicContact CG-CD2 3.77Å; W205-F209 HydrophobicContact CG-CE2 4.15Å; W205-F209 HydrophobicContact CH2-CB 4.35Å; W205-F209 HydrophobicContact CZ2-CB 4.18Å; W205-F209 HydrophobicContact CZ2-CD2 4.09Å; W205-F209 HydrophobicContact CZ2-CG 4.3Å; W205-F209 AromaticContact NE1-CD2 3.24Å; W205-F209 AromaticContact NE1-CE2 3.36Å; W205-F209 VanDerWaalsContact O-CD2 3.3Å; W205-F209 WeakPolarHBondContact O-CD2 3.3Å; W205-F209 PolarHBondContact O-N 3.11Å; W205-I210 HydrophobicContact CH2-CD1 4.06Å; W205-I210 HydrophobicContact CH2-CG1 4.42Å; W205-I210 HydrophobicContact CZ3-CD1 4.01Å; W205-I210 HydrophobicContact CZ3-CG1 3.89Å
206	K	98.5	Very high	98	Very high	16 Å²	16	34.3 Å²	34.3	7%	0.07	18%	0.179	C	C	.	.	H	α-helix	trans	-59.3	-44.6	178.9	-68.1	-176.2	-64.5	-171.2	0	111.3	Y198 Q201 S202 Q203 K208 F209 I210 P316 V318	Y198-K206 HydrophobicContact CD1-CD 4.16Å; Y198-K206 HydrophobicContact CD1-CG 4.41Å; Y198-K206 PolarHBondContact O-NZ 3.35Å; Q201-K206 HydrophobicContact CB-CG 4.17Å; S202-K206 PolarHBondContact O-N 3.3Å; S202-K206 VanDerWaalsContact O-N 3.11Å; Q203-K206 PolarHBondContact O-N 2.9Å; K206-K208 VanDerWaalsContact C-N 3.33Å; K206-K208 PolarHBondContact O-N 3.13Å; K206-F209 PolarHBondContact O-N 2.95Å; K206-I210 WeakPolarHBondContact O-CB 3.47Å; K206-I210 PolarHBondContact O-N 2.97Å; K206-P316 VanDerWaalsContact CD-O 3.26Å; K206-P316 WeakPolarHBondContact CD-O 3.4Å; K206-P316 WeakPolarHBondContact CE-O 3.2Å; K206-P316 PolarHBondContact NZ-O 2.87Å; K206-V318 HydrophobicContact CB-CG1 3.83Å; K206-V318 HydrophobicContact CD-CG1 4.16Å; K206-V318 HydrophobicContact CG-CG1 4.28Å
207	E	97.7	Very high	98	Very high	91 Å²	91	32.3 Å²	32.3	43%	0.425	17%	0.171	S	C	.	.	H	α-helix	trans	-65.5	-33.2	177.5	-75.1	173.6	-179.4	0	0	113.4	K181 Q203 W205	K181-E207 WeakPolarHBondContact CE-O 3.29Å; K181-E207 PolarHBondContact NZ-O 2.92Å; Q203-E207 HydrophobicContact CG-CG 4.49Å; Q203-E207 PolarHBondContact NE2-OE1 2.92Å; Q203-E207 WeakPolarHBondContact O-CB 3.43Å; Q203-E207 WeakPolarHBondContact O-CG 3.38Å; Q203-E207 PolarHBondContact O-N 3.19Å; W205-E207 VanDerWaalsContact C-N 3.32Å; W205-E207 PolarHBondContact O-N 2.83Å
208	K	97.8	Very high	98	Very high	93 Å²	93	32.3 Å²	32.3	40%	0.404	17%	0.171	S	C	.	.	H	α-helix	trans	-73.1	-45.5	176.6	-179.8	172.3	173.3	-177.9	0	112.1	Y174 Y175 K181 S204 W205 K206	Y174-K208 VanDerWaalsContact CE2-O 3.24Å; Y174-K208 WeakPolarHBondContact CE2-O 3.4Å; Y175-K208 PolarHBondContact OH-NZ 2.96Å; K181-K208 WeakPolarHBondContact CG-O 3.25Å; S204-K208 WeakPolarHBondContact O-CB 3.45Å; S204-K208 PolarHBondContact O-N 2.89Å; W205-K208 PolarHBondContact O-N 2.98Å; W205-K208 VanDerWaalsContact O-N 3.15Å; K206-K208 VanDerWaalsContact C-N 3.33Å; K206-K208 PolarHBondContact O-N 3.13Å
209	F	98	Very high	98	Very high	7 Å²	7	32.4 Å²	32.4	3%	0.031	17%	0.172	C	C	.	.	H	α-helix	trans	-104.1	-24.5	-164.8	-66.8	-71.4	0	0	0	115.2	I170 E171 Y174 Y175 K181 V182 W205 K206	I170-F209 HydrophobicContact CG2-CB 3.97Å; E171-F209 HydrophobicContact CB-CE1 4.16Å; E171-F209 HydrophobicContact CB-CZ 4.46Å; E171-F209 HydrophobicContact CG-CD1 4.12Å; E171-F209 HydrophobicContact CG-CD2 4.37Å; E171-F209 HydrophobicContact CG-CE1 3.8Å; E171-F209 HydrophobicContact CG-CE2 4.05Å; E171-F209 HydrophobicContact CG-CG 4.39Å; E171-F209 HydrophobicContact CG-CZ 3.75Å; Y174-F209 AromaticContact CD1-CD1 3.9Å; Y174-F209 HydrophobicContact CD1-CD1 3.9Å; Y174-F209 AromaticContact CD1-CE1 3.73Å; Y174-F209 HydrophobicContact CD1-CE1 3.73Å; Y174-F209 AromaticContact CD2-CD1 3.95Å; Y174-F209 HydrophobicContact CD2-CD1 3.95Å; Y174-F209 HydrophobicContact CE1-CD1 4.49Å; Y174-F209 HydrophobicContact CE1-CE1 4.22Å; Y174-F209 AromaticContact CG-CD1 3.6Å; Y174-F209 HydrophobicContact CG-CD1 3.6Å; Y174-F209 AromaticContact CG-CE1 3.94Å; Y174-F209 HydrophobicContact CG-CE1 3.94Å; Y175-F209 HydrophobicContact CE2-CE1 4.09Å; Y175-F209 HydrophobicContact CE2-CZ 4.43Å; Y175-F209 AromaticContact CZ-CE1 3.99Å; K181-F209 WeakPolarHBondContact CA-O 3.36Å; V182-F209 PolarHBondContact N-O 3.14Å; W205-F209 AromaticContact CD1-CD2 3.45Å; W205-F209 VanDerWaalsContact CD1-CD2 3.45Å; W205-F209 AromaticContact CD1-CE2 3.43Å; W205-F209 VanDerWaalsContact CD1-CE2 3.43Å; W205-F209 AromaticContact CD2-CD2 3.8Å; W205-F209 HydrophobicContact CD2-CD2 3.8Å; W205-F209 AromaticContact CE2-CD2 3.47Å; W205-F209 VanDerWaalsContact CE2-CD2 3.47Å; W205-F209 AromaticContact CG-CD2 3.77Å; W205-F209 HydrophobicContact CG-CD2 3.77Å; W205-F209 HydrophobicContact CG-CE2 4.15Å; W205-F209 HydrophobicContact CH2-CB 4.35Å; W205-F209 HydrophobicContact CZ2-CB 4.18Å; W205-F209 HydrophobicContact CZ2-CD2 4.09Å; W205-F209 HydrophobicContact CZ2-CG 4.3Å; W205-F209 AromaticContact NE1-CD2 3.24Å; W205-F209 AromaticContact NE1-CE2 3.36Å; W205-F209 VanDerWaalsContact O-CD2 3.3Å; W205-F209 WeakPolarHBondContact O-CD2 3.3Å; W205-F209 PolarHBondContact O-N 3.11Å; K206-F209 PolarHBondContact O-N 2.95Å
210	I	98.1	Very high	98.1	Very high	6 Å²	6	30 Å²	30	3%	0.031	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	127.8	-172.2	-50.9	-61	0	0	0	110.8	I170 K181 V182 T184 Y198 W205 K206 V318	I170-I210 HydrophobicContact CD1-CD1 4.22Å; I170-I210 HydrophobicContact CG2-CD1 3.78Å; K181-I210 WeakPolarHBondContact CD-O 3.36Å; V182-I210 WeakPolarHBondContact O-CA 3.36Å; T184-I210 HydrophobicContact CG2-CD1 4.15Å; Y198-I210 HydrophobicContact CE1-CD1 4.21Å; Y198-I210 HydrophobicContact CE1-CG1 4.06Å; W205-I210 HydrophobicContact CH2-CD1 4.06Å; W205-I210 HydrophobicContact CH2-CG1 4.42Å; W205-I210 HydrophobicContact CZ3-CD1 4.01Å; W205-I210 HydrophobicContact CZ3-CG1 3.89Å; K206-I210 WeakPolarHBondContact O-CB 3.47Å; K206-I210 PolarHBondContact O-N 2.97Å; I210-V318 HydrophobicContact CB-CG1 4.03Å; I210-V318 HydrophobicContact CG1-CG1 4.5Å; I210-V318 HydrophobicContact CG2-CB 4.15Å; I210-V318 HydrophobicContact CG2-CG1 3.89Å; I210-V318 HydrophobicContact CG2-CG2 4.44Å
211	K	96.7	Very high	98.1	Very high	59 Å²	59	26.5 Å²	26.5	26%	0.257	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	-62.3	171	-175.3	-177	178.6	-169	0	108.6	V27 K181 V182 V183	V27-K211 HydrophobicContact CG1-CD 3.97Å; V27-K211 HydrophobicContact CG2-CD 3.85Å; K181-K211 HydrophobicContact CB-CB 3.82Å; V182-K211 PolarHBondContact O-N 3.48Å; V183-K211 HydrophobicContact CG2-CB 3.87Å; V183-K211 HydrophobicContact CG2-CD 3.96Å; V183-K211 HydrophobicContact CG2-CG 4.25Å
212	S	97.5	Very high	98.1	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.007	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	167.1	177.3	59.8	0	0	0	0	110.7	V183 T184 E319	V183-S212 WeakPolarHBondContact CA-O 3.47Å; T184-S212 PolarHBondContact N-O 3.02Å; T184-S212 VanDerWaalsContact N-O 3.09Å; S212-E319 CarbonylContact C-O 3.53Å; S212-E319 VanDerWaalsContact CA-O 3.27Å; S212-E319 WeakPolarHBondContact CA-O 3.18Å; S212-E319 WeakPolarHBondContact CB-O 3.3Å
213	H	98.5	Very high	98.1	Very high	3 Å²	3	22.4 Å²	22.4	1%	0.014	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	119.4	173.2	173.7	48.2	0	0	0	109.4	T184 N191 L194 Y198 V318 E319 V320 H321	T184-H213 WeakPolarHBondContact OG1-CA 3.39Å; T184-H213 PolarHBondContact OG1-ND1 3.29Å; N191-H213 PolarHBondContact OD1-CE1 2.96Å; N191-H213 PolarHBondContact OD1-NE2 2.86Å; L194-H213 VanDerWaalsContact CD1-CE1 3.43Å; L194-H213 WeakPolarHBondContact CD1-CE1 3.35Å; Y198-H213 HydrophobicContact CE2-CB 4.16Å; Y198-H213 AromaticContact CE2-CG 3.99Å; H213-V318 HydrophobicContact CB-CG2 4Å; H213-E319 PolarHBondContact N-O 2.93Å; H213-V320 CarbonylContact O-C 3.51Å; H213-V320 WeakPolarHBondContact O-CA 3.18Å; H213-H321 PolarHBondContact O-N 2.99Å
214	I	98.6	Very high	98.1	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	115.8	170.8	-55.3	175.8	0	0	0	107.5	V183 T184 I185 G186 L216 H321 L323 I399 V402	V183-I214 HydrophobicContact CG1-CD1 3.81Å; V183-I214 HydrophobicContact CG1-CG1 3.9Å; T184-I214 PolarHBondContact O-N 3.47Å; I185-I214 VanDerWaalsContact CA-O 3.31Å; I185-I214 WeakPolarHBondContact CA-O 3.46Å; I185-I214 HydrophobicContact CD1-CD1 4.16Å; I185-I214 HydrophobicContact CG1-CB 4.11Å; I185-I214 HydrophobicContact CG1-CD1 4.33Å; G186-I214 PolarHBondContact N-O 3.38Å; I214-L216 HydrophobicContact CG2-CD2 3.99Å; I214-L216 HydrophobicContact CG2-CG 4.41Å; I214-H321 HydrophobicContact CG1-CB 4.27Å; I214-L323 HydrophobicContact CG2-CD1 3.89Å; I214-L323 HydrophobicContact CG2-CG 4.48Å; I214-I399 HydrophobicContact CD1-CG1 4.27Å; I214-I399 HydrophobicContact CD1-CG2 4.14Å; I214-I399 HydrophobicContact CG2-CG1 4.24Å; I214-V402 HydrophobicContact CD1-CB 4.34Å; I214-V402 HydrophobicContact CD1-CG1 3.97Å; I214-V402 HydrophobicContact CG1-CG1 4.36Å
215	S	98.8	Very high	98	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	122.5	178.4	-175.9	0	0	0	0	110.1	N191 A218 Y220 H321 L323	N191-S215 WeakPolarHBondContact OD1-CA 3.32Å; N191-S215 VanDerWaalsContact OD1-CB 3.26Å; N191-S215 WeakPolarHBondContact OD1-CB 3.06Å; N191-S215 PolarHBondContact OD1-OG 2.58Å; S215-A218 VanDerWaalsContact OG-CB 3.26Å; S215-A218 WeakPolarHBondContact OG-CB 3.46Å; S215-Y220 WeakPolarHBondContact CB-OH 3.19Å; S215-Y220 PolarHBondContact OG-OH 3.17Å; S215-H321 PolarHBondContact N-O 2.84Å; S215-L323 WeakPolarHBondContact O-CA 3.36Å; S215-L323 WeakPolarHBondContact O-CB 3.33Å; S215-L323 PolarHBondContact O-N 2.86Å; S215-L323 VanDerWaalsContact O-O 3.12Å
216	L	98.8	Very high	97.9	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	120.5	176.7	-54.9	178.8	0	0	0	109.4	M130 I185 G186 H187 S188 N191 I214 A218 L323 I389 L390 V395 I399	M130-L216 HydrophobicContact CE-CD1 4.32Å; M130-L216 HydrophobicContact SD-CD1 4.01Å; I185-L216 HydrophobicContact CG2-CD1 3.74Å; I185-L216 HydrophobicContact CG2-CG 4.15Å; G186-L216 WeakPolarHBondContact O-CB 3.5Å; G186-L216 PolarHBondContact O-N 2.8Å; H187-L216 CarbonylContact C-O 3.47Å; H187-L216 WeakPolarHBondContact CA-O 3.36Å; H187-L216 HydrophobicContact CB-CB 4.48Å; S188-L216 PolarHBondContact N-O 2.88Å; N191-L216 PolarHBondContact ND2-O 3.28Å; I214-L216 HydrophobicContact CG2-CD2 3.99Å; I214-L216 HydrophobicContact CG2-CG 4.41Å; L216-A218 VanDerWaalsContact C-N 3.34Å; L216-A218 PolarHBondContact O-N 3.23Å; L216-L323 CarbonylContact C-O 3.56Å; L216-L323 WeakPolarHBondContact CA-O 3.18Å; L216-L323 HydrophobicContact CD2-CB 3.87Å; L216-L323 HydrophobicContact CD2-CD1 3.76Å; L216-L323 HydrophobicContact CD2-CG 4.25Å; L216-I389 HydrophobicContact CB-CG2 4.47Å; L216-L390 HydrophobicContact CD1-CD2 3.59Å; L216-V395 HydrophobicContact CD2-CG1 3.96Å; L216-I399 HydrophobicContact CD1-CD1 4.33Å; L216-I399 HydrophobicContact CD2-CD1 4.34Å
217	A	98.6	Very high	97.9	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.067	C	C	.	.	S	Bend	trans	51.6	44.1	172.2	0	0	0	0	0	114.7	S188 P219 L323 L362 H386 I389	S188-A217 WeakPolarHBondContact CA-O 3.46Å; A217-P219 WeakPolarHBondContact O-CD 3.2Å; A217-L323 PolarHBondContact N-O 2.84Å; A217-L362 HydrophobicContact CB-CD2 4.33Å; A217-H386 PolarHBondContact O-CE1 3.03Å; A217-I389 HydrophobicContact CB-CD1 4.27Å; A217-I389 HydrophobicContact CB-CG2 4.15Å
218	A	98.7	Very high	97.8	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.008	5%	0.051	C	C	.	.			trans	-75.7	125.1	-173.8	0	0	0	0	0	113.8	N191 S215 L216 Y220	N191-A218 HydrophobicContact CB-CB 3.48Å; N191-A218 VanDerWaalsContact CB-CB 3.48Å; S215-A218 VanDerWaalsContact OG-CB 3.26Å; S215-A218 WeakPolarHBondContact OG-CB 3.46Å; L216-A218 VanDerWaalsContact C-N 3.34Å; L216-A218 PolarHBondContact O-N 3.23Å; A218-Y220 HydrophobicContact CB-CD1 4.2Å; A218-Y220 HydrophobicContact CB-CD2 3.6Å; A218-Y220 HydrophobicContact CB-CE1 3.89Å; A218-Y220 HydrophobicContact CB-CE2 3.27Å; A218-Y220 HydrophobicContact CB-CG 4.07Å; A218-Y220 VanDerWaalsContact CB-CZ 3.46Å; A218-Y220 PolarHBondContact O-N 2.62Å
219	P	98.4	Very high	97.7	Very high	2 Å²	2	7 Å²	7	1%	0.013	3%	0.033	C	C	.	.			trans	-81	60.2	173.6	34.6	-35.7	0	0	0	111.5	S188 L192 A217 G221 G222 L261 V357 S361	S188-P219 VanDerWaalsContact C-CD 3.4Å; S188-P219 WeakPolarHBondContact O-CD 3.39Å; L192-P219 HydrophobicContact CD1-CG 4.23Å; A217-P219 WeakPolarHBondContact O-CD 3.2Å; P219-G221 PolarHBondContact O-N 2.89Å; P219-G221 VanDerWaalsContact O-N 3.14Å; P219-G222 PolarHBondContact O-N 3.32Å; P219-L261 HydrophobicContact CB-CD2 4.07Å; P219-L261 HydrophobicContact CG-CD2 3.48Å; P219-L261 VanDerWaalsContact CG-CD2 3.48Å; P219-V357 HydrophobicContact CB-CG1 3.78Å; P219-V357 HydrophobicContact CB-CG2 3.87Å; P219-S361 WeakPolarHBondContact CA-OG 3.45Å
220	Y	98.3	Very high	97.7	Very high	9 Å²	9	6.7 Å²	6.7	4%	0.035	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-32.3	-176.3	-72.7	-56.9	0	0	0	114.1	N191 L192 L195 S215 A218 L313 S361 C365 W368	N191-Y220 HydrophobicContact CB-CE1 4.34Å; L192-Y220 HydrophobicContact CD2-CD1 3.98Å; L195-Y220 HydrophobicContact CD2-CD1 4.12Å; L195-Y220 HydrophobicContact CD2-CE1 4.16Å; S215-Y220 WeakPolarHBondContact CB-OH 3.19Å; S215-Y220 PolarHBondContact OG-OH 3.17Å; A218-Y220 HydrophobicContact CB-CD1 4.2Å; A218-Y220 HydrophobicContact CB-CD2 3.6Å; A218-Y220 HydrophobicContact CB-CE1 3.89Å; A218-Y220 HydrophobicContact CB-CE2 3.27Å; A218-Y220 HydrophobicContact CB-CG 4.07Å; A218-Y220 VanDerWaalsContact CB-CZ 3.46Å; A218-Y220 PolarHBondContact O-N 2.62Å; Y220-L313 HydrophobicContact CD1-CD1 3.68Å; Y220-L313 HydrophobicContact CG-CD1 4Å; Y220-L313 HydrophobicContact CG-CD2 4.48Å; Y220-S361 PolarHBondContact N-OG 3.36Å; Y220-C365 HydrophobicContact CD2-CB 3.91Å; Y220-C365 HydrophobicContact CE2-CB 3.48Å; Y220-C365 VanDerWaalsContact CE2-CB 3.48Å; Y220-W368 AromaticContact CD1-CH2 3.97Å; Y220-W368 HydrophobicContact CD1-CH2 3.97Å; Y220-W368 HydrophobicContact CD1-CZ2 4.38Å; Y220-W368 AromaticContact CE1-CH2 3.38Å; Y220-W368 HydrophobicContact CE1-CH2 3.38Å; Y220-W368 HydrophobicContact CE1-CZ2 4.2Å; Y220-W368 HydrophobicContact CE1-CZ3 4.15Å; Y220-W368 HydrophobicContact CE2-CH2 4.23Å; Y220-W368 HydrophobicContact CE2-CZ3 4.35Å; Y220-W368 AromaticContact CZ-CH2 3.49Å; Y220-W368 VanDerWaalsContact CZ-CH2 3.49Å; Y220-W368 AromaticContact CZ-CZ3 3.77Å
221	G	97.3	Very high	97.7	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	2.7	174.2	0	0	0	0	0	115.1	P219 P263 T264 W268 S361	P219-G221 PolarHBondContact O-N 2.89Å; P219-G221 VanDerWaalsContact O-N 3.14Å; G221-P263 CarbonylContact O-C 3.18Å; G221-P263 WeakPolarHBondContact O-CA 3.42Å; G221-T264 VanDerWaalsContact O-CG2 3.29Å; G221-T264 WeakPolarHBondContact O-CG2 3.37Å; G221-T264 PolarHBondContact O-N 3.25Å; G221-W268 WeakPolarHBondContact O-CZ3 3.28Å; G221-S361 WeakPolarHBondContact CA-OG 3.3Å; G221-S361 PolarHBondContact N-OG 3.47Å
222	G	97.6	Very high	97.7	Very high	2 Å²	2	3.6 Å²	3.6	2%	0.021	2%	0.018	C	C	.	.			trans	87.8	-172.7	-167.7	0	0	0	0	0	113.5	P219 L261 S361	P219-G222 PolarHBondContact O-N 3.32Å; G222-L261 CarbonylContact C-O 3.59Å; G222-L261 WeakPolarHBondContact CA-O 3.47Å; G222-S361 PolarHBondContact N-OG 2.93Å; G222-S361 VanDerWaalsContact O-CB 3.23Å; G222-S361 WeakPolarHBondContact O-CB 3.27Å; G222-S361 PolarHBondContact O-OG 3.32Å
223	S	97.7	Very high	97.5	Very high	5 Å²	5	3.5 Å²	3.5	4%	0.035	2%	0.018	C	C	.	.			trans	-141.2	138.3	-178.5	161.7	0	0	0	0	111.8	K225 I226 L261 T356	S223-K225 PolarHBondContact O-N 3.32Å; S223-K225 VanDerWaalsContact OG-CB 3.28Å; S223-K225 WeakPolarHBondContact OG-CB 3.43Å; S223-K225 PolarHBondContact OG-N 3.19Å; S223-I226 WeakPolarHBondContact O-CB 3.48Å; S223-I226 PolarHBondContact O-N 3.06Å; S223-I226 VanDerWaalsContact O-N 3.17Å; S223-L261 PolarHBondContact N-O 3.06Å; S223-T356 PolarHBondContact OG-O 2.94Å
224	M	97.5	Very high	96.9	Very high	1 Å²	1	5 Å²	5	1%	0.005	2%	0.023	C	C	.	.	H	α-helix	trans	-62.1	-22.8	172.8	-87.2	-56.8	-55.7	0	0	114.2	I226 V227 K228 P263 W268 L274 P331 E332 L334 N358	M224-I226 PolarHBondContact O-N 3.22Å; M224-V227 HydrophobicContact CE-CB 4.03Å; M224-V227 HydrophobicContact CE-CG1 4.33Å; M224-V227 HydrophobicContact CE-CG2 4.12Å; M224-V227 WeakPolarHBondContact O-CB 3.33Å; M224-V227 PolarHBondContact O-N 2.98Å; M224-V227 VanDerWaalsContact O-N 3.15Å; M224-V227 HydrophobicContact SD-CB 4.42Å; M224-V227 HydrophobicContact SD-CG2 3.85Å; M224-K228 PolarHBondContact O-N 3.3Å; M224-P263 HydrophobicContact SD-CG 3.99Å; M224-W268 HydrophobicContact CG-CZ2 4.29Å; M224-L274 HydrophobicContact CE-CB 3.96Å; M224-L274 WeakPolarHBondContact CE-O 3.22Å; M224-L274 HydrophobicContact SD-CB 3.82Å; M224-L274 HydrophobicContact SD-CD2 3.55Å; M224-L274 VanDerWaalsContact SD-CD2 3.55Å; M224-L274 HydrophobicContact SD-CG 4.15Å; M224-P331 WeakPolarHBondContact CB-O 3.42Å; M224-E332 WeakPolarHBondContact CE-O 3.39Å; M224-E332 WeakPolarHBondContact CG-O 3.39Å; M224-L334 HydrophobicContact CE-CD1 4.33Å; M224-L334 HydrophobicContact CE-CG 3.89Å; M224-N358 PolarHBondContact N-OD1 3.32Å
225	K	95.4	Very high	96	Very high	13 Å²	13	7.5 Å²	7.5	6%	0.057	4%	0.037	C	C	.	.	H	α-helix	trans	-63.1	-30.4	176.2	-159.2	179.5	-154.9	82.4	0	112.3	S223 K228 A229 Y234 E237 T356	S223-K225 PolarHBondContact O-N 3.32Å; S223-K225 VanDerWaalsContact OG-CB 3.28Å; S223-K225 WeakPolarHBondContact OG-CB 3.43Å; S223-K225 PolarHBondContact OG-N 3.19Å; K225-K228 WeakPolarHBondContact O-CB 3.36Å; K225-K228 PolarHBondContact O-N 2.53Å; K225-A229 PolarHBondContact O-N 2.76Å; K225-Y234 HydrophobicContact CD-CD2 4.49Å; K225-Y234 HydrophobicContact CD-CE2 4.3Å; K225-E237 WeakPolarHBondContact CE-OE1 3.18Å; K225-E237 WeakPolarHBondContact CE-OE2 3.28Å; K225-E237 IonicContact NZ-OE1 3.72Å; K225-E237 PolarHBondContact NZ-OE1 2.82Å; K225-E237 IonicContact NZ-OE2 2.79Å; K225-E237 PolarHBondContact NZ-OE2 2.82Å; K225-T356 HydrophobicContact CD-CG2 3.88Å
226	I	97.1	Very high	94.8	Very high	10 Å²	10	9.4 Å²	9.4	5%	0.051	5%	0.046	C	C	.	.	H	α-helix	trans	-71.2	-35.3	176.9	-61.8	-59.9	0	0	0	111.4	S223 M224 K228 A229 F230 S258 L261 L262	S223-I226 WeakPolarHBondContact O-CB 3.48Å; S223-I226 PolarHBondContact O-N 3.06Å; S223-I226 VanDerWaalsContact O-N 3.17Å; M224-I226 PolarHBondContact O-N 3.22Å; I226-K228 VanDerWaalsContact C-N 3.25Å; I226-K228 PolarHBondContact O-N 2.92Å; I226-A229 WeakPolarHBondContact O-CB 3.42Å; I226-A229 PolarHBondContact O-N 2.93Å; I226-A229 VanDerWaalsContact O-N 3.13Å; I226-F230 HydrophobicContact CG2-CD2 3.93Å; I226-F230 HydrophobicContact CG2-CE2 3.83Å; I226-F230 WeakPolarHBondContact O-CD2 3.11Å; I226-F230 PolarHBondContact O-N 2.58Å; I226-S258 WeakPolarHBondContact CG2-O 3.5Å; I226-L261 HydrophobicContact CD1-CB 4.21Å; I226-L261 HydrophobicContact CD1-CD1 4.25Å; I226-L261 HydrophobicContact CG1-CB 3.71Å; I226-L261 HydrophobicContact CG2-CB 4.45Å; I226-L262 HydrophobicContact CG2-CD2 3.81Å; I226-L262 HydrophobicContact CG2-CG 3.89Å
227	V	98	Very high	93	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.006	7%	0.065	C	C	.	.	H	α-helix	trans	-58.7	-43.1	171.5	-174.5	0	0	0	0	109.8	M224 F230 A231 L262 P263 L274 V275 F290 L334	M224-V227 HydrophobicContact CE-CB 4.03Å; M224-V227 HydrophobicContact CE-CG1 4.33Å; M224-V227 HydrophobicContact CE-CG2 4.12Å; M224-V227 WeakPolarHBondContact O-CB 3.33Å; M224-V227 PolarHBondContact O-N 2.98Å; M224-V227 VanDerWaalsContact O-N 3.15Å; M224-V227 HydrophobicContact SD-CB 4.42Å; M224-V227 HydrophobicContact SD-CG2 3.85Å; V227-F230 PolarHBondContact O-N 3.06Å; V227-A231 WeakPolarHBondContact O-CB 3.44Å; V227-A231 PolarHBondContact O-N 3.09Å; V227-L262 HydrophobicContact CG2-CD2 3.83Å; V227-P263 HydrophobicContact CG2-CG 3.81Å; V227-L274 HydrophobicContact CG1-CB 4.48Å; V227-L274 HydrophobicContact CG2-CD1 4.33Å; V227-V275 HydrophobicContact CG1-CG2 3.43Å; V227-V275 VanDerWaalsContact CG1-CG2 3.43Å; V227-F290 HydrophobicContact CG1-CE2 4.29Å; V227-F290 HydrophobicContact CG1-CZ 3.95Å; V227-L334 HydrophobicContact CB-CD1 4.26Å; V227-L334 HydrophobicContact CG1-CD1 4.08Å
228	K	96.7	Very high	91.2	Very high	24 Å²	24	16.5 Å²	16.5	10%	0.104	8%	0.08	C	C	.	.	H	α-helix	trans	-64.1	-41.7	174.1	-179.6	173.8	166.9	171.3	0	112.2	M224 K225 I226 F230 A231 S232 G233 L334 P346 E348	M224-K228 PolarHBondContact O-N 3.3Å; K225-K228 WeakPolarHBondContact O-CB 3.36Å; K225-K228 PolarHBondContact O-N 2.53Å; I226-K228 VanDerWaalsContact C-N 3.25Å; I226-K228 PolarHBondContact O-N 2.92Å; K228-F230 VanDerWaalsContact C-N 3.33Å; K228-F230 PolarHBondContact O-N 3.03Å; K228-A231 PolarHBondContact O-N 2.57Å; K228-S232 PolarHBondContact O-N 3.42Å; K228-G233 PolarHBondContact O-N 2.8Å; K228-L334 HydrophobicContact CB-CD1 3.59Å; K228-L334 HydrophobicContact CB-CD2 4.18Å; K228-L334 HydrophobicContact CD-CD2 4.47Å; K228-L334 HydrophobicContact CG-CD1 4.4Å; K228-P346 HydrophobicContact CD-CG 4.44Å; K228-E348 VanDerWaalsContact CD-OE1 3.25Å; K228-E348 WeakPolarHBondContact CD-OE1 3.16Å; K228-E348 WeakPolarHBondContact CE-OE1 3.2Å; K228-E348 IonicContact NZ-OE1 2.69Å; K228-E348 PolarHBondContact NZ-OE1 3.23Å
229	A	96	Very high	89	Confident	2 Å²	2	25.9 Å²	25.9	2%	0.017	12%	0.115	C	C	.	.	H	α-helix	trans	-56.8	-46.1	176.8	0	0	0	0	0	111.5	K225 I226 G233 Y234	K225-A229 PolarHBondContact O-N 2.76Å; I226-A229 WeakPolarHBondContact O-CB 3.42Å; I226-A229 PolarHBondContact O-N 2.93Å; I226-A229 VanDerWaalsContact O-N 3.13Å; A229-G233 WeakPolarHBondContact O-CA 3.16Å; A229-G233 PolarHBondContact O-N 2.9Å; A229-Y234 HydrophobicContact CB-CD1 3.7Å; A229-Y234 HydrophobicContact CB-CE1 3.73Å
230	F	97.9	Very high	86.8	Confident	1 Å²	1	32.7 Å²	32.7	0%	0.004	14%	0.141	C	C	.	.	H	α-helix	trans	-67.3	-44.7	174.3	-80.3	-73.3	0	0	0	112.5	I226 V227 K228 R253 A259 L262 F290 F291 I294 Y296	I226-F230 HydrophobicContact CG2-CD2 3.93Å; I226-F230 HydrophobicContact CG2-CE2 3.83Å; I226-F230 WeakPolarHBondContact O-CD2 3.11Å; I226-F230 PolarHBondContact O-N 2.58Å; V227-F230 PolarHBondContact O-N 3.06Å; K228-F230 VanDerWaalsContact C-N 3.33Å; K228-F230 PolarHBondContact O-N 3.03Å; F230-R253 HydrophobicContact CD1-CB 4.31Å; F230-R253 HydrophobicContact CD1-CG 3.83Å; F230-R253 HydrophobicContact CE1-CB 4.34Å; F230-R253 HydrophobicContact CE1-CG 4.34Å; F230-R253 PolarHBondContact O-NE 2.85Å; F230-R253 PolarHBondContact O-NH2 3.02Å; F230-A259 HydrophobicContact CZ-CB 4.17Å; F230-L262 HydrophobicContact CD2-CD1 4.28Å; F230-L262 HydrophobicContact CD2-CD2 4.04Å; F230-L262 HydrophobicContact CD2-CG 4.3Å; F230-L262 HydrophobicContact CE2-CD1 4.01Å; F230-L262 HydrophobicContact CE2-CD2 4.36Å; F230-L262 HydrophobicContact CE2-CG 4.11Å; F230-F290 HydrophobicContact CB-CE1 4.03Å; F230-F290 HydrophobicContact CB-CZ 4.28Å; F230-F291 HydrophobicContact CB-CE1 4.46Å; F230-F291 AromaticContact CD1-CE1 3.6Å; F230-F291 HydrophobicContact CD1-CE1 3.6Å; F230-F291 HydrophobicContact CD1-CZ 4.37Å; F230-F291 HydrophobicContact CD2-CE1 4.44Å; F230-F291 AromaticContact CE1-CE1 3.87Å; F230-F291 HydrophobicContact CE1-CE1 3.87Å; F230-F291 HydrophobicContact CE1-CZ 4.38Å; F230-F291 AromaticContact CG-CE1 3.93Å; F230-F291 HydrophobicContact CG-CE1 3.93Å; F230-F291 HydrophobicContact CG-CZ 4.48Å; F230-F291 HydrophobicContact CZ-CE1 4.4Å; F230-F291 HydrophobicContact CZ-CZ 4.47Å; F230-I294 HydrophobicContact CB-CD1 4.07Å; F230-Y296 HydrophobicContact CD1-CD1 4.32Å; F230-Y296 HydrophobicContact CE1-CD1 4.38Å; F230-Y296 HydrophobicContact CE1-CE1 4.21Å
231	A	97.5	Very high	85.1	Confident	0 Å²	0	34 Å²	34	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-68.9	-71.5	-176.4	0	0	0	0	0	112.3	V227 K228 R249 R253 F290 I294 Y336 F341	V227-A231 WeakPolarHBondContact O-CB 3.44Å; V227-A231 PolarHBondContact O-N 3.09Å; K228-A231 PolarHBondContact O-N 2.57Å; A231-R249 WeakPolarHBondContact O-CD 3.46Å; A231-R249 PolarHBondContact O-NH1 2.99Å; A231-R253 PolarHBondContact O-NH2 3.14Å; A231-F290 HydrophobicContact CB-CE2 4.16Å; A231-F290 HydrophobicContact CB-CZ 4Å; A231-I294 HydrophobicContact CB-CG2 4.5Å; A231-Y336 VanDerWaalsContact CB-OH 3.27Å; A231-Y336 WeakPolarHBondContact CB-OH 3.22Å; A231-F341 HydrophobicContact CB-CE2 4.14Å
232	S	96	Very high	83.8	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.8	4	-170.6	58.4	0	0	0	0	114.2	K228 Y336 P342 K344 Q345 P346	K228-S232 PolarHBondContact O-N 3.42Å; S232-Y336 WeakPolarHBondContact CB-OH 3.36Å; S232-Y336 PolarHBondContact OG-OH 3.13Å; S232-P342 WeakPolarHBondContact CA-O 3.25Å; S232-P342 VanDerWaalsContact CB-O 3.27Å; S232-P342 WeakPolarHBondContact CB-O 3.41Å; S232-K344 WeakPolarHBondContact CB-O 3.44Å; S232-Q345 PolarHBondContact O-NE2 2.92Å; S232-P346 WeakPolarHBondContact OG-CD 3.03Å
233	G	93.4	Very high	83.1	Confident	0 Å²	0	40 Å²	40	0%	0	18%	0.183	C	C	.	.			trans	67.8	166.4	-172.3	0	0	0	0	0	113	K228 A229 Q345	K228-G233 PolarHBondContact O-N 2.8Å; A229-G233 WeakPolarHBondContact O-CA 3.16Å; A229-G233 PolarHBondContact O-N 2.9Å; G233-Q345 PolarHBondContact O-NE2 2.72Å
234	Y	85.9	Confident	82.6	Confident	35 Å²	35	43.7 Å²	43.7	14%	0.137	20%	0.203	C	C	.	.			trans	-138.4	150.5	168.8	74.7	-78.1	0	0	0	111	K225 A229 L236 E237 Q252	K225-Y234 HydrophobicContact CD-CD2 4.49Å; K225-Y234 HydrophobicContact CD-CE2 4.3Å; A229-Y234 HydrophobicContact CB-CD1 3.7Å; A229-Y234 HydrophobicContact CB-CE1 3.73Å; Y234-L236 VanDerWaalsContact CD2-N 3.32Å; Y234-L236 VanDerWaalsContact CE2-CA 3.45Å; Y234-L236 HydrophobicContact CE2-CD2 4.37Å; Y234-L236 PolarHBondContact O-N 3.47Å; Y234-E237 HydrophobicContact CD2-CG 4.36Å; Y234-Q252 VanDerWaalsContact CD1-NE2 3.28Å; Y234-Q252 PolarHBondContact O-NE2 3.25Å; Y234-Q252 VanDerWaalsContact O-NE2 3.16Å
235	N	80.3	Confident	82.3	Confident	52 Å²	52	44.9 Å²	44.9	28%	0.278	21%	0.211	S	C	.	.			trans	-81.9	36.4	-175.5	65.8	-29.5	0	0	0	113.5	E237 Q238 I243 P245	N235-E237 PolarHBondContact O-N 3.37Å; N235-Q238 PolarHBondContact O-N 2.84Å; N235-Q238 VanDerWaalsContact O-N 3.11Å; N235-I243 HydrophobicContact CB-CB 4.23Å; N235-P245 HydrophobicContact CB-CG 4.42Å
236	L	73	Confident	82.2	Confident	39 Å²	39	47.1 Å²	47.1	20%	0.204	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	17.8	-177.8	-53	172.6	0	0	0	114.3	W65 Y234 Q238 I243	W65-L236 HydrophobicContact CH2-CD1 3.93Å; W65-L236 HydrophobicContact CZ3-CD1 4.02Å; Y234-L236 VanDerWaalsContact CD2-N 3.32Å; Y234-L236 VanDerWaalsContact CE2-CA 3.45Å; Y234-L236 HydrophobicContact CE2-CD2 4.37Å; Y234-L236 PolarHBondContact O-N 3.47Å; L236-Q238 HydrophobicContact CB-CG 4.27Å; L236-Q238 WeakPolarHBondContact O-CG 3.33Å; L236-Q238 PolarHBondContact O-N 3.2Å; L236-Q238 VanDerWaalsContact O-N 3.12Å; L236-I243 HydrophobicContact CD1-CD1 3.94Å
237	E	61.8	Low	82	Confident	82 Å²	82	48.2 Å²	48.2	38%	0.383	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	59	12.3	-171.2	-60	-165.3	111.1	0	0	115.8	K225 Y234 N235 W239 T356	K225-E237 WeakPolarHBondContact CE-OE1 3.18Å; K225-E237 WeakPolarHBondContact CE-OE2 3.28Å; K225-E237 IonicContact NZ-OE1 3.72Å; K225-E237 PolarHBondContact NZ-OE1 2.82Å; K225-E237 IonicContact NZ-OE2 2.79Å; K225-E237 PolarHBondContact NZ-OE2 2.82Å; Y234-E237 HydrophobicContact CD2-CG 4.36Å; N235-E237 PolarHBondContact O-N 3.37Å; E237-W239 PolarHBondContact O-N 3.2Å; E237-W239 VanDerWaalsContact O-N 3.14Å; E237-T356 PolarHBondContact OE2-OG1 2.84Å
238	Q	60.5	Low	81.7	Confident	67 Å²	67	48.1 Å²	48.1	31%	0.313	23%	0.23	S	C	.	.			trans	-88.5	92.1	-178.6	-63.2	-59	-30	0	0	109	N235 L236 R240 I241	N235-Q238 PolarHBondContact O-N 2.84Å; N235-Q238 VanDerWaalsContact O-N 3.11Å; L236-Q238 HydrophobicContact CB-CG 4.27Å; L236-Q238 WeakPolarHBondContact O-CG 3.33Å; L236-Q238 PolarHBondContact O-N 3.2Å; L236-Q238 VanDerWaalsContact O-N 3.12Å; Q238-R240 PolarHBondContact O-N 2.81Å; Q238-R240 VanDerWaalsContact O-N 3.1Å; Q238-I241 HydrophobicContact CB-CB 4.18Å; Q238-I241 HydrophobicContact CB-CD1 4.05Å; Q238-I241 HydrophobicContact CB-CG1 4.01Å; Q238-I241 HydrophobicContact CG-CD1 4.24Å; Q238-I241 PolarHBondContact O-N 2.86Å; Q238-I241 VanDerWaalsContact O-N 3.17Å; Q238-I241 VanDerWaalsContact O-O 3.13Å
239	W	51.8	Low	81.7	Confident	199 Å²	199	48.5 Å²	48.5	75%	0.754	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-19.9	177	68.7	-92.5	0	0	0	113.4	E237	E237-W239 PolarHBondContact O-N 3.2Å; E237-W239 VanDerWaalsContact O-N 3.14Å
240	R	52.1	Low	81.6	Confident	145 Å²	145	50.9 Å²	50.9	55%	0.547	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-18.6	179.5	-64.7	-171.3	178	-178	0.6	114.3	Y123 Q238	Y123-R240 HydrophobicContact CE1-CB 4.49Å; Y123-R240 VanDerWaalsContact OH-CD 3.29Å; Y123-R240 WeakPolarHBondContact OH-CD 3.4Å; Y123-R240 PolarHBondContact OH-NH1 2.96Å; Q238-R240 PolarHBondContact O-N 2.81Å; Q238-R240 VanDerWaalsContact O-N 3.1Å
241	I	64.3	Low	81.5	Confident	35 Å²	35	51 Å²	51	18%	0.179	25%	0.251	C	S	.	.	S	Bend	trans	-106.5	115.4	-179.6	-46.1	175.8	0	0	0	107.2	L68 Q238 I243	L68-I241 HydrophobicContact CD2-CD1 3.75Å; Q238-I241 HydrophobicContact CB-CB 4.18Å; Q238-I241 HydrophobicContact CB-CD1 4.05Å; Q238-I241 HydrophobicContact CB-CG1 4.01Å; Q238-I241 HydrophobicContact CG-CD1 4.24Å; Q238-I241 PolarHBondContact O-N 2.86Å; Q238-I241 VanDerWaalsContact O-N 3.17Å; Q238-I241 VanDerWaalsContact O-O 3.13Å; I241-I243 VanDerWaalsContact C-N 3.25Å; I241-I243 HydrophobicContact CB-CD1 4.02Å; I241-I243 HydrophobicContact CB-CG1 3.92Å; I241-I243 HydrophobicContact CG2-CD1 3.71Å; I241-I243 HydrophobicContact CG2-CG1 3.44Å; I241-I243 VanDerWaalsContact CG2-CG1 3.44Å; I241-I243 PolarHBondContact O-N 3.16Å
242	V	69.7	Low	81.4	Confident	122 Å²	122	51.4 Å²	51.4	74%	0.739	25%	0.253	S	S	*	.			trans	-74.7	85.3	177.9	-175.7	0	0	0	0	108.4
243	I	81.6	Confident	81.4	Confident	6 Å²	6	52.5 Å²	52.5	3%	0.031	26%	0.257	C	S	.	.			trans	-107.7	121.9	178.6	-56.6	-178.9	0	0	0	108.2	L71 L76 N235 L236 I241 P245 I248	L71-I243 HydrophobicContact CB-CD1 4.44Å; L71-I243 HydrophobicContact CD1-CD1 4.22Å; L76-I243 HydrophobicContact CD1-CG2 4.28Å; L76-I243 HydrophobicContact CD2-CG2 3.96Å; N235-I243 HydrophobicContact CB-CB 4.23Å; L236-I243 HydrophobicContact CD1-CD1 3.94Å; I241-I243 VanDerWaalsContact C-N 3.25Å; I241-I243 HydrophobicContact CB-CD1 4.02Å; I241-I243 HydrophobicContact CB-CG1 3.92Å; I241-I243 HydrophobicContact CG2-CD1 3.71Å; I241-I243 HydrophobicContact CG2-CG1 3.44Å; I241-I243 VanDerWaalsContact CG2-CG1 3.44Å; I241-I243 PolarHBondContact O-N 3.16Å; I243-P245 WeakPolarHBondContact O-CD 3.34Å; I243-I248 HydrophobicContact CG2-CB 4.36Å; I243-I248 HydrophobicContact CG2-CD1 3.89Å; I243-I248 HydrophobicContact CG2-CG1 3.14Å
244	N	88.6	Confident	81.6	Confident	83 Å²	83	53.1 Å²	53.1	44%	0.444	26%	0.261	S	S	.	.			trans	-67.2	115.6	175.9	-176.9	-20.4	0	0	0	109.6	L246 T247 I248	N244-L246 PolarHBondContact O-N 3.25Å; N244-L246 WeakPolarHBondContact OD1-CB 3.27Å; N244-L246 PolarHBondContact OD1-N 3.36Å; N244-T247 PolarHBondContact O-N 3.02Å; N244-T247 VanDerWaalsContact O-N 3.15Å; N244-I248 PolarHBondContact O-N 3.42Å
245	P	90.7	Very high	82.1	Confident	27 Å²	27	52.1 Å²	52.1	18%	0.175	26%	0.257	C	S	.	.	H	α-helix	trans	-59.6	-33.7	-177.8	-24.5	35.1	0	0	0	113.2	N235 I243 R249 Q345	N235-P245 HydrophobicContact CB-CG 4.42Å; I243-P245 WeakPolarHBondContact O-CD 3.34Å; P245-R249 VanDerWaalsContact O-CB 3.27Å; P245-R249 WeakPolarHBondContact O-CB 3.23Å; P245-R249 PolarHBondContact O-N 3.38Å; P245-Q345 VanDerWaalsContact CB-NE2 3.3Å
246	L	93.1	Very high	83	Confident	60 Å²	60	49.6 Å²	49.6	31%	0.314	24%	0.244	S	C	.	.	H	α-helix	trans	-72.5	-31.5	-179.3	-61.6	178.3	0	0	0	112.4	N244 R249	N244-L246 PolarHBondContact O-N 3.25Å; N244-L246 WeakPolarHBondContact OD1-CB 3.27Å; N244-L246 PolarHBondContact OD1-N 3.36Å; L246-R249 WeakPolarHBondContact O-CB 3.36Å
247	T	93.1	Very high	84.1	Confident	32 Å²	32	47.8 Å²	47.8	20%	0.196	23%	0.234	C	C	.	.	H	α-helix	trans	-68.2	-49.9	174.4	-59.4	0	0	0	0	110.1	L76 D77 V80 N244 R249 A250	L76-T247 HydrophobicContact CB-CG2 4.48Å; L76-T247 HydrophobicContact CD2-CG2 3.62Å; L76-T247 HydrophobicContact CG-CG2 3.77Å; D77-T247 WeakPolarHBondContact OD1-CG2 3.33Å; V80-T247 HydrophobicContact CG2-CG2 4.11Å; N244-T247 PolarHBondContact O-N 3.02Å; N244-T247 VanDerWaalsContact O-N 3.15Å; T247-R249 VanDerWaalsContact C-N 3.3Å; T247-R249 PolarHBondContact O-N 2.69Å; T247-A250 WeakPolarHBondContact O-CB 3.19Å; T247-A250 PolarHBondContact O-N 3.1Å
248	I	92.5	Very high	85.8	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-64.9	-33.2	177.2	-72.1	-62.2	0	0	0	112.5	L76 W79 V80 I243 N244 A250 E251 Q252	L76-I248 HydrophobicContact CD1-CD1 3.56Å; L76-I248 HydrophobicContact CD1-CG1 4.28Å; L76-I248 HydrophobicContact CD2-CG1 4.44Å; L76-I248 HydrophobicContact CG-CD1 4.3Å; W79-I248 HydrophobicContact CE3-CD1 3.87Å; W79-I248 HydrophobicContact CH2-CD1 4.27Å; W79-I248 HydrophobicContact CZ3-CD1 3.4Å; V80-I248 HydrophobicContact CG2-CD1 4.31Å; I243-I248 HydrophobicContact CG2-CB 4.36Å; I243-I248 HydrophobicContact CG2-CD1 3.89Å; I243-I248 HydrophobicContact CG2-CG1 3.14Å; N244-I248 PolarHBondContact O-N 3.42Å; I248-A250 PolarHBondContact O-N 2.85Å; I248-A250 VanDerWaalsContact O-N 3.09Å; I248-E251 WeakPolarHBondContact O-CA 3.19Å; I248-E251 WeakPolarHBondContact O-CB 3.12Å; I248-E251 PolarHBondContact O-N 3.21Å; I248-Q252 HydrophobicContact CG2-CG 3.58Å; I248-Q252 VanDerWaalsContact CG2-NE2 3.27Å; I248-Q252 PolarHBondContact O-N 3.38Å
249	R	95.5	Very high	87.6	Confident	31 Å²	31	40.9 Å²	40.9	12%	0.117	20%	0.202	C	C	.	.	H	α-helix	trans	-50.7	-36.4	175.9	-177.8	179.5	71.3	175.7	-1.7	112.1	A231 P245 L246 T247 E251 Q252 R253 P342 N343	A231-R249 WeakPolarHBondContact O-CD 3.46Å; A231-R249 PolarHBondContact O-NH1 2.99Å; P245-R249 VanDerWaalsContact O-CB 3.27Å; P245-R249 WeakPolarHBondContact O-CB 3.23Å; P245-R249 PolarHBondContact O-N 3.38Å; L246-R249 WeakPolarHBondContact O-CB 3.36Å; T247-R249 VanDerWaalsContact C-N 3.3Å; T247-R249 PolarHBondContact O-N 2.69Å; R249-E251 PolarHBondContact O-N 3.43Å; R249-Q252 PolarHBondContact O-N 3.45Å; R249-R253 HydrophobicContact CG-CG 3.98Å; R249-R253 VanDerWaalsContact O-CB 3.32Å; R249-R253 WeakPolarHBondContact O-CB 3.36Å; R249-R253 WeakPolarHBondContact O-CG 3.42Å; R249-R253 PolarHBondContact O-N 3.01Å; R249-P342 PolarHBondContact NH1-O 3.02Å; R249-N343 PolarHBondContact NH1-OD1 3.36Å; R249-N343 PolarHBondContact NH2-OD1 2.88Å
250	A	94.8	Very high	89.8	Confident	53 Å²	53	31.6 Å²	31.6	44%	0.438	17%	0.167	S	C	.	.	H	α-helix	trans	-61.9	-30.4	178.5	0	0	0	0	0	112.7	V80 T247 I248 T254	V80-A250 HydrophobicContact CG1-CB 4.08Å; T247-A250 WeakPolarHBondContact O-CB 3.19Å; T247-A250 PolarHBondContact O-N 3.1Å; I248-A250 PolarHBondContact O-N 2.85Å; I248-A250 VanDerWaalsContact O-N 3.09Å; A250-T254 WeakPolarHBondContact O-CG2 3.37Å
251	E	95	Very high	92	Very high	4 Å²	4	25 Å²	25	2%	0.019	14%	0.143	C	C	.	.	H	α-helix	trans	-85.2	-50.6	175	-172.4	-75.3	142.6	0	0	110.9	W79 V80 M83 R84 I248 R249 R253 T254 M255	W79-E251 HydrophobicContact CH2-CG 4.05Å; W79-E251 HydrophobicContact CZ3-CB 4.19Å; W79-E251 HydrophobicContact CZ3-CG 3.8Å; V80-E251 HydrophobicContact CB-CB 4.44Å; V80-E251 HydrophobicContact CG1-CB 4.13Å; V80-E251 HydrophobicContact CG2-CB 4.14Å; M83-E251 HydrophobicContact CB-CG 3.81Å; M83-E251 HydrophobicContact CG-CG 3.8Å; M83-E251 VanDerWaalsContact CG-OE1 3.3Å; M83-E251 WeakPolarHBondContact CG-OE1 3.45Å; R84-E251 HydrophobicContact CB-CG 4.45Å; I248-E251 WeakPolarHBondContact O-CA 3.19Å; I248-E251 WeakPolarHBondContact O-CB 3.12Å; I248-E251 PolarHBondContact O-N 3.21Å; R249-E251 PolarHBondContact O-N 3.43Å; E251-R253 PolarHBondContact O-N 2.86Å; E251-R253 VanDerWaalsContact O-N 3.16Å; E251-T254 WeakPolarHBondContact O-CB 3.3Å; E251-T254 PolarHBondContact O-N 3.12Å; E251-T254 PolarHBondContact O-OG1 3.16Å; E251-M255 VanDerWaalsContact CD-CE 3.46Å; E251-M255 WeakPolarHBondContact OE1-CE 3.24Å; E251-M255 WeakPolarHBondContact OE2-CE 3.24Å
252	Q	95	Very high	93.6	Very high	8 Å²	8	23.4 Å²	23.4	4%	0.037	14%	0.135	C	C	.	.	H	α-helix	trans	-53.9	-39.4	-178.4	-75.8	174.7	-22	0	0	113.2	Y234 I248 R249 T254 M255 S258	Y234-Q252 VanDerWaalsContact CD1-NE2 3.28Å; Y234-Q252 PolarHBondContact O-NE2 3.25Å; Y234-Q252 VanDerWaalsContact O-NE2 3.16Å; I248-Q252 HydrophobicContact CG2-CG 3.58Å; I248-Q252 VanDerWaalsContact CG2-NE2 3.27Å; I248-Q252 PolarHBondContact O-N 3.38Å; R249-Q252 PolarHBondContact O-N 3.45Å; Q252-T254 PolarHBondContact O-N 3.09Å; Q252-M255 PolarHBondContact O-N 3.27Å; Q252-S258 PolarHBondContact O-OG 2.99Å
253	R	97.1	Very high	94.9	Very high	22 Å²	22	17.6 Å²	17.6	8%	0.083	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-26.6	178.4	-77.4	-179.5	172.9	-173.7	-4.8	113	F230 A231 R249 E251 M255 I294 Y296 M302	F230-R253 HydrophobicContact CD1-CB 4.31Å; F230-R253 HydrophobicContact CD1-CG 3.83Å; F230-R253 HydrophobicContact CE1-CB 4.34Å; F230-R253 HydrophobicContact CE1-CG 4.34Å; F230-R253 PolarHBondContact O-NE 2.85Å; F230-R253 PolarHBondContact O-NH2 3.02Å; A231-R253 PolarHBondContact O-NH2 3.14Å; R249-R253 HydrophobicContact CG-CG 3.98Å; R249-R253 VanDerWaalsContact O-CB 3.32Å; R249-R253 WeakPolarHBondContact O-CB 3.36Å; R249-R253 WeakPolarHBondContact O-CG 3.42Å; R249-R253 PolarHBondContact O-N 3.01Å; E251-R253 PolarHBondContact O-N 2.86Å; E251-R253 VanDerWaalsContact O-N 3.16Å; R253-M255 VanDerWaalsContact C-N 3.34Å; R253-I294 PolarHBondContact NH1-O 3.2Å; R253-I294 PolarHBondContact NH2-O 3.11Å; R253-Y296 HydrophobicContact CB-CD1 4.09Å; R253-Y296 HydrophobicContact CB-CE1 3.74Å; R253-Y296 HydrophobicContact CB-CE2 4.36Å; R253-Y296 HydrophobicContact CG-CD1 4.22Å; R253-Y296 HydrophobicContact CG-CE1 4.36Å; R253-Y296 WeakPolarHBondContact O-CE1 3.49Å; R253-Y296 PolarHBondContact O-OH 2.85Å; R253-M302 WeakPolarHBondContact O-CE 3.39Å
254	T	97.6	Very high	95.6	Very high	14 Å²	14	17.8 Å²	17.8	9%	0.086	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-11.3	-177.3	69.8	0	0	0	0	113.6	R84 M85 A250 E251 Q252 T256 M302	R84-T254 WeakPolarHBondContact CA-OG1 3.47Å; R84-T254 HydrophobicContact CB-CG2 4.14Å; M85-T254 VanDerWaalsContact CE-O 3.24Å; M85-T254 WeakPolarHBondContact CE-O 3.22Å; M85-T254 PolarHBondContact N-OG1 2.68Å; M85-T254 WeakPolarHBondContact O-CB 3.5Å; M85-T254 WeakPolarHBondContact O-CG2 3.42Å; A250-T254 WeakPolarHBondContact O-CG2 3.37Å; E251-T254 WeakPolarHBondContact O-CB 3.3Å; E251-T254 PolarHBondContact O-N 3.12Å; E251-T254 PolarHBondContact O-OG1 3.16Å; Q252-T254 PolarHBondContact O-N 3.09Å; T254-T256 PolarHBondContact O-N 3.2Å; T254-M302 WeakPolarHBondContact O-CE 3.1Å
255	M	96.9	Very high	95.9	Very high	13 Å²	13	17.5 Å²	17.5	6%	0.064	10%	0.104	C	C	.	.			trans	-76.6	120	178.7	-63.1	-164.3	-167.3	0	0	111.8	M83 F152 R153 E251 Q252 R253 S257 S258 A259 M302	M83-M255 HydrophobicContact CE-CE 4.47Å; F152-M255 HydrophobicContact CE2-CE 4.3Å; R153-M255 HydrophobicContact CB-CG 4Å; R153-M255 HydrophobicContact CB-SD 4.24Å; R153-M255 HydrophobicContact CG-CE 4.05Å; R153-M255 HydrophobicContact CG-CG 4.27Å; R153-M255 HydrophobicContact CG-SD 4.15Å; R153-M255 CarbonylContact O-C 3.57Å; R153-M255 VanDerWaalsContact O-CA 3.28Å; R153-M255 WeakPolarHBondContact O-CA 3.36Å; R153-M255 WeakPolarHBondContact O-CB 3.27Å; E251-M255 VanDerWaalsContact CD-CE 3.46Å; E251-M255 WeakPolarHBondContact OE1-CE 3.24Å; E251-M255 WeakPolarHBondContact OE2-CE 3.24Å; Q252-M255 PolarHBondContact O-N 3.27Å; R253-M255 VanDerWaalsContact C-N 3.34Å; M255-S257 PolarHBondContact O-N 2.86Å; M255-S258 WeakPolarHBondContact O-CB 3.29Å; M255-S258 PolarHBondContact O-N 3.28Å; M255-A259 PolarHBondContact O-N 3.13Å; M255-M302 VanDerWaalsContact O-CE 3.26Å; M255-M302 WeakPolarHBondContact O-CE 3.14Å
256	T	97.6	Very high	96	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-70.9	-21.8	173.5	52.3	0	0	0	0	112.1	Y87 T94 R153 R154 A155 T254 S258 A259 F260 M302	Y87-T256 HydrophobicContact CD2-CG2 3.89Å; Y87-T256 HydrophobicContact CE2-CG2 3.97Å; T94-T256 HydrophobicContact CG2-CG2 3.54Å; R153-T256 PolarHBondContact O-N 2.76Å; R154-T256 WeakPolarHBondContact CA-OG1 3.48Å; A155-T256 PolarHBondContact N-OG1 3.04Å; T254-T256 PolarHBondContact O-N 3.2Å; T256-S258 VanDerWaalsContact C-N 3.34Å; T256-A259 PolarHBondContact O-N 2.89Å; T256-F260 WeakPolarHBondContact O-CB 3.32Å; T256-F260 PolarHBondContact O-N 3.06Å; T256-M302 HydrophobicContact CG2-CE 3.63Å; T256-M302 HydrophobicContact CG2-CG 4.25Å
257	S	97.7	Very high	96.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.9	-39.4	167.9	53.7	0	0	0	0	112.3	F152 R153 R154 M255 F260 L261	F152-S257 WeakPolarHBondContact O-CB 3.49Å; F152-S257 PolarHBondContact O-OG 3.39Å; R153-S257 PolarHBondContact O-N 2.82Å; R153-S257 PolarHBondContact O-OG 3.27Å; R154-S257 WeakPolarHBondContact O-CB 3.49Å; M255-S257 PolarHBondContact O-N 2.86Å; S257-F260 WeakPolarHBondContact O-CB 3.04Å; S257-F260 PolarHBondContact O-N 2.95Å; S257-L261 WeakPolarHBondContact O-CB 3.33Å; S257-L261 WeakPolarHBondContact O-CG 3.43Å; S257-L261 PolarHBondContact O-N 2.88Å
258	S	97.1	Very high	96.3	Very high	4 Å²	4	19.4 Å²	19.4	3%	0.028	11%	0.105	C	C	.	.	H	α-helix	trans	-59.4	-49.5	172.8	-62.8	0	0	0	0	110.8	I226 Q252 M255 T256 F260 L261 L262	I226-S258 WeakPolarHBondContact CG2-O 3.5Å; Q252-S258 PolarHBondContact O-OG 2.99Å; M255-S258 WeakPolarHBondContact O-CB 3.29Å; M255-S258 PolarHBondContact O-N 3.28Å; T256-S258 VanDerWaalsContact C-N 3.34Å; S258-F260 PolarHBondContact O-N 3.15Å; S258-L261 PolarHBondContact O-N 2.97Å; S258-L261 VanDerWaalsContact O-N 3.09Å; S258-L262 PolarHBondContact O-N 3Å
259	A	97.7	Very high	96.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-59.4	-38.2	178	0	0	0	0	0	112.3	F230 M255 T256 L261 L262 M302	F230-A259 HydrophobicContact CZ-CB 4.17Å; M255-A259 PolarHBondContact O-N 3.13Å; T256-A259 PolarHBondContact O-N 2.89Å; A259-L261 VanDerWaalsContact C-N 3.32Å; A259-L261 PolarHBondContact O-N 3.3Å; A259-L262 PolarHBondContact O-N 3.16Å; A259-M302 HydrophobicContact CB-CB 3.72Å; A259-M302 HydrophobicContact CB-CE 4.49Å
260	F	97.7	Very high	96.1	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.018	14%	0.143	C	C	.	.	H	α-helix	trans	-66.1	-31.3	176.9	178.3	-126.3	0	0	0	113.6	A155 P156 L189 L192 T256 S257 S258 T306 L309 I310	A155-F260 HydrophobicContact CB-CB 4.14Å; A155-F260 HydrophobicContact CB-CG 4.49Å; P156-F260 HydrophobicContact CG-CE1 3.93Å; P156-F260 HydrophobicContact CG-CZ 4.2Å; L189-F260 HydrophobicContact CD1-CD1 3.97Å; L189-F260 HydrophobicContact CD1-CE1 4.13Å; L192-F260 HydrophobicContact CB-CE1 3.56Å; L192-F260 HydrophobicContact CB-CZ 3.92Å; L192-F260 HydrophobicContact CD1-CD1 4.17Å; L192-F260 HydrophobicContact CD1-CE1 3.63Å; L192-F260 HydrophobicContact CD1-CZ 4.08Å; L192-F260 HydrophobicContact CG-CE1 4.22Å; T256-F260 WeakPolarHBondContact O-CB 3.32Å; T256-F260 PolarHBondContact O-N 3.06Å; S257-F260 WeakPolarHBondContact O-CB 3.04Å; S257-F260 PolarHBondContact O-N 2.95Å; S258-F260 PolarHBondContact O-N 3.15Å; F260-T306 HydrophobicContact CB-CG2 4.39Å; F260-T306 PolarHBondContact N-OG1 3.41Å; F260-L309 HydrophobicContact CD2-CB 4.49Å; F260-L309 HydrophobicContact CD2-CD1 4.18Å; F260-L309 HydrophobicContact CE2-CB 3.9Å; F260-L309 HydrophobicContact CE2-CD1 4.23Å; F260-I310 HydrophobicContact CE2-CD1 4.43Å; F260-I310 HydrophobicContact CE2-CG1 4.34Å; F260-I310 HydrophobicContact CZ-CD1 3.75Å; F260-I310 HydrophobicContact CZ-CG1 4.09Å
261	L	98	Very high	96	Very high	8 Å²	8	30.7 Å²	30.7	4%	0.042	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	3.3	-179.2	-73	168.5	0	0	0	114.5	L189 L192 P219 G222 S223 I226 S257 S258 A259	L189-L261 HydrophobicContact CB-CD1 4.42Å; L189-L261 HydrophobicContact CD1-CD1 4.13Å; L189-L261 HydrophobicContact CD1-CD2 3.96Å; L189-L261 HydrophobicContact CD1-CG 4.03Å; L189-L261 HydrophobicContact CD2-CD1 4.33Å; L192-L261 HydrophobicContact CD1-CD2 3.53Å; P219-L261 HydrophobicContact CB-CD2 4.07Å; P219-L261 HydrophobicContact CG-CD2 3.48Å; P219-L261 VanDerWaalsContact CG-CD2 3.48Å; G222-L261 CarbonylContact C-O 3.59Å; G222-L261 WeakPolarHBondContact CA-O 3.47Å; S223-L261 PolarHBondContact N-O 3.06Å; I226-L261 HydrophobicContact CD1-CB 4.21Å; I226-L261 HydrophobicContact CD1-CD1 4.25Å; I226-L261 HydrophobicContact CG1-CB 3.71Å; I226-L261 HydrophobicContact CG2-CB 4.45Å; S257-L261 WeakPolarHBondContact O-CB 3.33Å; S257-L261 WeakPolarHBondContact O-CG 3.43Å; S257-L261 PolarHBondContact O-N 2.88Å; S258-L261 PolarHBondContact O-N 2.97Å; S258-L261 VanDerWaalsContact O-N 3.09Å; A259-L261 VanDerWaalsContact C-N 3.32Å; A259-L261 PolarHBondContact O-N 3.3Å
262	L	98.1	Very high	96.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	-61.6	144.3	172.2	-80.4	167.8	0	0	0	111.3	I226 V227 F230 S258 A259 T264 Y287 F291 Y303	I226-L262 HydrophobicContact CG2-CD2 3.81Å; I226-L262 HydrophobicContact CG2-CG 3.89Å; V227-L262 HydrophobicContact CG2-CD2 3.83Å; F230-L262 HydrophobicContact CD2-CD1 4.28Å; F230-L262 HydrophobicContact CD2-CD2 4.04Å; F230-L262 HydrophobicContact CD2-CG 4.3Å; F230-L262 HydrophobicContact CE2-CD1 4.01Å; F230-L262 HydrophobicContact CE2-CD2 4.36Å; F230-L262 HydrophobicContact CE2-CG 4.11Å; S258-L262 PolarHBondContact O-N 3Å; A259-L262 PolarHBondContact O-N 3.16Å; L262-T264 PolarHBondContact O-N 3.2Å; L262-Y287 HydrophobicContact CD1-CE1 4.45Å; L262-Y287 HydrophobicContact CD2-CE1 4.16Å; L262-F291 HydrophobicContact CD1-CE2 4.11Å; L262-F291 HydrophobicContact CD1-CZ 3.7Å; L262-Y303 HydrophobicContact CB-CD2 4.22Å; L262-Y303 HydrophobicContact CB-CE2 4.21Å; L262-Y303 HydrophobicContact CD1-CD2 3.76Å; L262-Y303 HydrophobicContact CD1-CE2 4.43Å
263	P	98	Very high	96.2	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-46.2	130.4	174.4	-31.4	36.9	0	0	0	113	G221 M224 V227 W268 L274 T284 Y287	G221-P263 CarbonylContact O-C 3.18Å; G221-P263 WeakPolarHBondContact O-CA 3.42Å; M224-P263 HydrophobicContact SD-CG 3.99Å; V227-P263 HydrophobicContact CG2-CG 3.81Å; P263-W268 HydrophobicContact CB-CB 4.48Å; P263-W268 HydrophobicContact CB-CD2 3.66Å; P263-W268 HydrophobicContact CB-CE3 3.7Å; P263-W268 HydrophobicContact CB-CG 4.03Å; P263-W268 HydrophobicContact CB-CH2 4.5Å; P263-W268 HydrophobicContact CB-CZ2 4.47Å; P263-W268 HydrophobicContact CB-CZ3 4.15Å; P263-W268 HydrophobicContact CG-CD2 4.5Å; P263-L274 HydrophobicContact CB-CD1 4.32Å; P263-L274 HydrophobicContact CB-CD2 4.35Å; P263-L274 HydrophobicContact CG-CD1 4.39Å; P263-L274 HydrophobicContact CG-CD2 4.47Å; P263-T284 HydrophobicContact CB-CG2 4.25Å; P263-Y287 WeakPolarHBondContact CB-OH 3.46Å; P263-Y287 WeakPolarHBondContact CD-OH 3.35Å; P263-Y287 PolarHBondContact O-OH 2.97Å
264	T	96.1	Very high	96.3	Very high	11 Å²	11	33.1 Å²	33.1	7%	0.067	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-90.9	146	-177.9	82.7	0	0	0	0	111.4	G221 L262 K266 I267 W268	G221-T264 VanDerWaalsContact O-CG2 3.29Å; G221-T264 WeakPolarHBondContact O-CG2 3.37Å; G221-T264 PolarHBondContact O-N 3.25Å; L262-T264 PolarHBondContact O-N 3.2Å; T264-K266 PolarHBondContact O-N 3.03Å; T264-K266 PolarHBondContact OG1-N 3.05Å; T264-I267 PolarHBondContact O-N 3.12Å; T264-I267 VanDerWaalsContact O-N 3.08Å; T264-I267 PolarHBondContact OG1-N 2.78Å; T264-W268 PolarHBondContact O-N 3.1Å
265	P	94.5	Very high	96.4	Very high	76 Å²	76	32.5 Å²	32.5	49%	0.494	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-12	173.9	26.6	-35.2	0	0	0	113.3	W268	P265-W268 CarbonylContact C-O 3.47Å; P265-W268 VanDerWaalsContact C-O 3.27Å; P265-W268 WeakPolarHBondContact CA-O 3.37Å; P265-W268 VanDerWaalsContact O-O 3.09Å
266	K	93	Very high	96.4	Very high	121 Å²	121	35.5 Å²	35.5	53%	0.526	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-28.2	176.1	-177.7	60.7	176.2	-177.9	0	112.3	T264	T264-K266 PolarHBondContact O-N 3.03Å; T264-K266 PolarHBondContact OG1-N 3.05Å
267	I	95.5	Very high	96.5	Very high	35 Å²	35	36.5 Å²	36.5	18%	0.179	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-30.9	-175.4	-59.5	-60.2	0	0	0	111.8	T264 R360 A364	T264-I267 PolarHBondContact O-N 3.12Å; T264-I267 VanDerWaalsContact O-N 3.08Å; T264-I267 PolarHBondContact OG1-N 2.78Å; I267-R360 HydrophobicContact CG2-CB 3.94Å; I267-R360 HydrophobicContact CG2-CG 3.7Å; I267-R360 WeakPolarHBondContact CG2-O 3.36Å; I267-A364 HydrophobicContact CD1-CB 3.72Å; I267-A364 HydrophobicContact CG1-CB 4.41Å
268	W	96.1	Very high	96.3	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.015	21%	0.211	C	C	.	.	S	Bend	trans	-105.8	122.6	168.5	-79.6	-104.2	0	0	0	108.6	G221 M224 P263 T264 P265 D272 L274 T284 N358 R360	G221-W268 WeakPolarHBondContact O-CZ3 3.28Å; M224-W268 HydrophobicContact CG-CZ2 4.29Å; P263-W268 HydrophobicContact CB-CB 4.48Å; P263-W268 HydrophobicContact CB-CD2 3.66Å; P263-W268 HydrophobicContact CB-CE3 3.7Å; P263-W268 HydrophobicContact CB-CG 4.03Å; P263-W268 HydrophobicContact CB-CH2 4.5Å; P263-W268 HydrophobicContact CB-CZ2 4.47Å; P263-W268 HydrophobicContact CB-CZ3 4.15Å; P263-W268 HydrophobicContact CG-CD2 4.5Å; T264-W268 PolarHBondContact O-N 3.1Å; P265-W268 CarbonylContact C-O 3.47Å; P265-W268 VanDerWaalsContact C-O 3.27Å; P265-W268 WeakPolarHBondContact CA-O 3.37Å; P265-W268 VanDerWaalsContact O-O 3.09Å; W268-D272 HydrophobicContact CB-CB 4.24Å; W268-D272 HydrophobicContact CG-CB 4.39Å; W268-L274 VanDerWaalsContact CD1-CD2 3.45Å; W268-L274 HydrophobicContact CG-CD2 4.11Å; W268-T284 HydrophobicContact CB-CG2 3.72Å; W268-N358 HydrophobicContact CH2-CB 4.01Å; W268-N358 HydrophobicContact CZ2-CB 3.76Å; W268-N358 WeakPolarHBondContact CZ2-OD1 3.38Å; W268-R360 HydrophobicContact CH2-CG 3.95Å; W268-R360 HydrophobicContact CZ2-CG 3.93Å; W268-R360 HydrophobicContact CZ3-CG 4.26Å
269	S	92.7	Very high	96.1	Very high	43 Å²	43	50.4 Å²	50.4	30%	0.301	25%	0.25	S	C	.	.			trans	-70	165.3	173.8	68.4	0	0	0	0	111.4	Q271 D272	S269-Q271 PolarHBondContact O-N 3.21Å; S269-Q271 VanDerWaalsContact O-N 3.1Å; S269-Q271 PolarHBondContact OG-N 3.17Å; S269-D272 WeakPolarHBondContact CB-OD2 3.46Å; S269-D272 PolarHBondContact N-OD2 3.01Å; S269-D272 WeakPolarHBondContact O-CB 3.39Å; S269-D272 PolarHBondContact O-N 3.11Å; S269-D272 PolarHBondContact OG-N 3.01Å; S269-D272 PolarHBondContact OG-OD2 2.84Å
270	E	91.2	Very high	96	Very high	131 Å²	131	54 Å²	54	61%	0.612	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-9.2	171.2	-59.8	179.7	172.4	0	0	112.9	T283 A285	E270-T283 VanDerWaalsContact O-CG2 3.3Å; E270-T283 WeakPolarHBondContact O-CG2 3.42Å; E270-A285 HydrophobicContact CG-CB 4.29Å
271	Q	93.9	Very high	96	Very high	147 Å²	147	57.3 Å²	57.3	69%	0.687	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-15.5	174.8	-62.7	75.5	55.1	0	0	112.3	S269 V273	S269-Q271 PolarHBondContact O-N 3.21Å; S269-Q271 VanDerWaalsContact O-N 3.1Å; S269-Q271 PolarHBondContact OG-N 3.17Å; Q271-V273 PolarHBondContact O-N 3.1Å
272	D	96.9	Very high	96.1	Very high	42 Å²	42	57.3 Å²	57.3	23%	0.225	28%	0.281	C	S	.	.			trans	-76.5	105.2	179	-69.8	-73.8	0	0	0	110.3	W268 S269 L274 R360	W268-D272 HydrophobicContact CB-CB 4.24Å; W268-D272 HydrophobicContact CG-CB 4.39Å; S269-D272 WeakPolarHBondContact CB-OD2 3.46Å; S269-D272 PolarHBondContact N-OD2 3.01Å; S269-D272 WeakPolarHBondContact O-CB 3.39Å; S269-D272 PolarHBondContact O-N 3.11Å; S269-D272 PolarHBondContact OG-N 3.01Å; S269-D272 PolarHBondContact OG-OD2 2.84Å; D272-L274 PolarHBondContact O-N 3.11Å; D272-R360 IonicContact OD1-CZ 3.6Å; D272-R360 IonicContact OD1-NH1 3.35Å; D272-R360 PolarHBondContact OD1-NH1 2.92Å; D272-R360 IonicContact OD1-NH2 3.76Å; D272-R360 IonicContact OD2-NH1 3.63Å; D272-R360 PolarHBondContact OD2-NH1 3.37Å
273	V	98	Very high	96.1	Very high	40 Å²	40	58 Å²	58	24%	0.242	29%	0.285	C	S	.	.			trans	-74.5	116.3	177.3	-179.8	0	0	0	0	110.4	Q271 V275 M276 N281 T283 T333	Q271-V273 PolarHBondContact O-N 3.1Å; V273-V275 WeakPolarHBondContact CG1-O 3.28Å; V273-M276 HydrophobicContact CG1-CG 3.5Å; V273-N281 HydrophobicContact CG1-CB 3.79Å; V273-N281 HydrophobicContact CG2-CB 4.25Å; V273-T283 HydrophobicContact CG2-CG2 4.47Å; V273-T333 HydrophobicContact CG1-CG2 4.38Å; V273-T333 WeakPolarHBondContact O-CG2 3.48Å; V273-T333 PolarHBondContact O-OG1 3.18Å
274	L	98.5	Very high	96	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.01	29%	0.288	C	S	.	.	S	Bend	trans	-83.5	-43.5	177.7	-48.8	-178.1	0	0	0	110.8	M224 V227 P263 W268 D272 Y282 T284 Y287 T333 L334	M224-L274 HydrophobicContact CE-CB 3.96Å; M224-L274 WeakPolarHBondContact CE-O 3.22Å; M224-L274 HydrophobicContact SD-CB 3.82Å; M224-L274 HydrophobicContact SD-CD2 3.55Å; M224-L274 VanDerWaalsContact SD-CD2 3.55Å; M224-L274 HydrophobicContact SD-CG 4.15Å; V227-L274 HydrophobicContact CG1-CB 4.48Å; V227-L274 HydrophobicContact CG2-CD1 4.33Å; P263-L274 HydrophobicContact CB-CD1 4.32Å; P263-L274 HydrophobicContact CB-CD2 4.35Å; P263-L274 HydrophobicContact CG-CD1 4.39Å; P263-L274 HydrophobicContact CG-CD2 4.47Å; W268-L274 VanDerWaalsContact CD1-CD2 3.45Å; W268-L274 HydrophobicContact CG-CD2 4.11Å; D272-L274 PolarHBondContact O-N 3.11Å; L274-Y282 PolarHBondContact N-O 3.12Å; L274-T284 HydrophobicContact CD1-CG2 4.02Å; L274-Y287 HydrophobicContact CD1-CE1 3.9Å; L274-Y287 WeakPolarHBondContact CD1-OH 3.32Å; L274-T333 WeakPolarHBondContact O-CA 3.35Å; L274-L334 PolarHBondContact O-N 2.94Å
275	V	98.7	Very high	96.1	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.006	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	129.9	-177.4	-175.2	0	0	0	0	110.3	V227 V273 T277 N281 Y282 F290 L334 Y336 F341	V227-V275 HydrophobicContact CG1-CG2 3.43Å; V227-V275 VanDerWaalsContact CG1-CG2 3.43Å; V273-V275 WeakPolarHBondContact CG1-O 3.28Å; V275-T277 HydrophobicContact CG1-CG2 4.03Å; V275-N281 CarbonylContact O-C 3.53Å; V275-N281 VanDerWaalsContact O-CA 3.32Å; V275-N281 WeakPolarHBondContact O-CA 3.42Å; V275-Y282 HydrophobicContact CB-CD2 3.81Å; V275-Y282 HydrophobicContact CB-CG 4.45Å; V275-Y282 HydrophobicContact CG1-CD2 4.02Å; V275-Y282 HydrophobicContact CG1-CE2 4.44Å; V275-Y282 PolarHBondContact N-O 3.4Å; V275-Y282 PolarHBondContact O-N 2.98Å; V275-F290 HydrophobicContact CG2-CD2 4.48Å; V275-F290 HydrophobicContact CG2-CE2 4Å; V275-L334 CarbonylContact C-O 3.51Å; V275-L334 WeakPolarHBondContact CA-O 3.48Å; V275-L334 HydrophobicContact CG2-CB 4.33Å; V275-L334 HydrophobicContact CG2-CD1 4.27Å; V275-Y336 HydrophobicContact CG1-CD2 3.8Å; V275-Y336 HydrophobicContact CG1-CE2 3.9Å; V275-F341 HydrophobicContact CG1-CD2 4.29Å; V275-F341 HydrophobicContact CG1-CE2 3.87Å
276	M	98.4	Very high	96.2	Very high	76 Å²	76	59.2 Å²	59.2	37%	0.374	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	131.5	172.4	-62.9	177.6	72.3	0	0	109.7	V273 N281 T333 L334 V335 Y336	V273-M276 HydrophobicContact CG1-CG 3.5Å; M276-N281 WeakPolarHBondContact CA-OD1 3.35Å; M276-T333 HydrophobicContact CG-CG2 3.9Å; M276-T333 HydrophobicContact SD-CG2 4.01Å; M276-L334 PolarHBondContact N-O 3.29Å; M276-V335 HydrophobicContact CB-CG1 4.43Å; M276-V335 HydrophobicContact CB-CG2 4.31Å; M276-V335 HydrophobicContact SD-CG2 4.07Å; M276-Y336 PolarHBondContact O-N 2.75Å
277	T	98	Very high	96.4	Very high	22 Å²	22	53.7 Å²	53.7	14%	0.135	27%	0.273	C	S	.	.			trans	-131.7	174.9	175.3	74.2	0	0	0	0	110.2	V275 K279 R280 Y282 F341	V275-T277 HydrophobicContact CG1-CG2 4.03Å; T277-K279 PolarHBondContact O-N 3.01Å; T277-K279 PolarHBondContact OG1-N 3.23Å; T277-R280 PolarHBondContact N-O 2.76Å; T277-R280 VanDerWaalsContact N-O 3.1Å; T277-R280 PolarHBondContact OG1-N 2.74Å; T277-R280 VanDerWaalsContact OG1-N 3.11Å; T277-R280 PolarHBondContact OG1-O 3.43Å; T277-Y282 HydrophobicContact CG2-CD2 4.46Å; T277-Y282 HydrophobicContact CG2-CE2 3.76Å; T277-F341 HydrophobicContact CG2-CB 3.88Å; T277-F341 HydrophobicContact CG2-CD1 3.92Å; T277-F341 HydrophobicContact CG2-CD2 3.83Å; T277-F341 HydrophobicContact CG2-CE1 4.36Å; T277-F341 HydrophobicContact CG2-CE2 4.28Å; T277-F341 HydrophobicContact CG2-CG 3.61Å; T277-F341 HydrophobicContact CG2-CZ 4.5Å
278	E	94.6	Very high	96.6	Very high	99 Å²	99	56.5 Å²	56.5	46%	0.463	29%	0.285	S	S	.	.	S	Bend	trans	-61.9	-31.7	172.1	-178.7	-179.6	-167	0	0	113	K338	E278-K338 WeakPolarHBondContact OE1-CD 3.5Å; E278-K338 WeakPolarHBondContact OE1-CE 3.45Å; E278-K338 IonicContact OE1-NZ 3.34Å; E278-K338 PolarHBondContact OE1-NZ 3.12Å; E278-K338 WeakPolarHBondContact OE2-CA 3.48Å; E278-K338 WeakPolarHBondContact OE2-CG 3.29Å
279	K	93.7	Very high	96.7	Very high	196 Å²	196	59.4 Å²	59.4	85%	0.852	30%	0.301	S	S	*	.	S	Bend	trans	-93.4	-40.3	-171.2	-68.3	-177.6	177.3	-178.1	0	113.3	T277	T277-K279 PolarHBondContact O-N 3.01Å; T277-K279 PolarHBondContact OG1-N 3.23Å
280	R	95.4	Very high	96.9	Very high	76 Å²	76	57.5 Å²	57.5	29%	0.287	29%	0.287	S	S	.	.			trans	-160.8	164.2	-177.7	68.4	-178.1	-67.4	170.9	-1	112.2	T277 Y282 D286 D289	T277-R280 PolarHBondContact N-O 2.76Å; T277-R280 VanDerWaalsContact N-O 3.1Å; T277-R280 PolarHBondContact OG1-N 2.74Å; T277-R280 VanDerWaalsContact OG1-N 3.11Å; T277-R280 PolarHBondContact OG1-O 3.43Å; R280-Y282 HydrophobicContact CG-CD1 4.5Å; R280-Y282 HydrophobicContact CG-CD2 4.38Å; R280-Y282 HydrophobicContact CG-CE1 3.88Å; R280-Y282 HydrophobicContact CG-CE2 3.76Å; R280-Y282 VanDerWaalsContact CG-CZ 3.48Å; R280-D286 IonicContact NH2-OD1 2.94Å; R280-D286 PolarHBondContact NH2-OD1 3.38Å; R280-D289 IonicContact CZ-OD2 2.94Å; R280-D289 VanDerWaalsContact NH1-CB 3.32Å; R280-D289 IonicContact NH1-OD2 3.89Å; R280-D289 PolarHBondContact NH1-OD2 2.86Å; R280-D289 IonicContact NH2-OD2 2.66Å; R280-D289 PolarHBondContact NH2-OD2 2.84Å
281	N	97.8	Very high	97.3	Very high	74 Å²	74	51.2 Å²	51.2	40%	0.396	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	153.1	166.3	-67.6	-16.4	0	0	0	109.5	V273 V275 M276	V273-N281 HydrophobicContact CG1-CB 3.79Å; V273-N281 HydrophobicContact CG2-CB 4.25Å; V275-N281 CarbonylContact O-C 3.53Å; V275-N281 VanDerWaalsContact O-CA 3.32Å; V275-N281 WeakPolarHBondContact O-CA 3.42Å; M276-N281 WeakPolarHBondContact CA-OD1 3.35Å
282	Y	98.5	Very high	97.5	Very high	8 Å²	8	48 Å²	48	3%	0.031	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	132	175.7	-52.6	-96.4	0	0	0	109.9	L274 V275 T277 R280 D286 D289 F290 D293 F341	L274-Y282 PolarHBondContact N-O 3.12Å; V275-Y282 HydrophobicContact CB-CD2 3.81Å; V275-Y282 HydrophobicContact CB-CG 4.45Å; V275-Y282 HydrophobicContact CG1-CD2 4.02Å; V275-Y282 HydrophobicContact CG1-CE2 4.44Å; V275-Y282 PolarHBondContact N-O 3.4Å; V275-Y282 PolarHBondContact O-N 2.98Å; T277-Y282 HydrophobicContact CG2-CD2 4.46Å; T277-Y282 HydrophobicContact CG2-CE2 3.76Å; R280-Y282 HydrophobicContact CG-CD1 4.5Å; R280-Y282 HydrophobicContact CG-CD2 4.38Å; R280-Y282 HydrophobicContact CG-CE1 3.88Å; R280-Y282 HydrophobicContact CG-CE2 3.76Å; R280-Y282 VanDerWaalsContact CG-CZ 3.48Å; Y282-D286 HydrophobicContact CD1-CB 4.07Å; Y282-D289 HydrophobicContact CE1-CB 4.5Å; Y282-F290 HydrophobicContact CD1-CB 3.63Å; Y282-F290 HydrophobicContact CD1-CD2 4.24Å; Y282-F290 HydrophobicContact CD1-CG 4.45Å; Y282-F290 HydrophobicContact CD2-CD2 4.46Å; Y282-F290 HydrophobicContact CE1-CB 4.09Å; Y282-F290 HydrophobicContact CG-CB 4.24Å; Y282-F290 HydrophobicContact CG-CD2 4.17Å; Y282-D293 HydrophobicContact CE1-CB 4.31Å; Y282-D293 VanDerWaalsContact OH-CB 3.29Å; Y282-D293 WeakPolarHBondContact OH-CB 3.43Å; Y282-D293 PolarHBondContact OH-OD2 3.01Å; Y282-F341 HydrophobicContact CE2-CE1 4.19Å; Y282-F341 HydrophobicContact CE2-CZ 4.08Å
283	T	98.4	Very high	97.6	Very high	15 Å²	15	49.8 Å²	49.8	9%	0.092	26%	0.255	C	S	.	.			trans	-114.5	-175.2	175.6	71.2	0	0	0	0	109.1	E270 V273 A285 D286	E270-T283 VanDerWaalsContact O-CG2 3.3Å; E270-T283 WeakPolarHBondContact O-CG2 3.42Å; V273-T283 HydrophobicContact CG2-CG2 4.47Å; T283-A285 PolarHBondContact O-N 2.81Å; T283-A285 PolarHBondContact OG1-N 3.29Å; T283-A285 VanDerWaalsContact OG1-N 3.14Å; T283-D286 WeakPolarHBondContact CB-OD2 3.36Å; T283-D286 PolarHBondContact N-OD2 3.25Å; T283-D286 PolarHBondContact O-N 3.48Å; T283-D286 VanDerWaalsContact O-N 3.16Å; T283-D286 PolarHBondContact OG1-OD2 3.34Å
284	T	97	Very high	97.5	Very high	8 Å²	8	48.2 Å²	48.2	5%	0.049	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-63.9	-19.4	171.3	53.8	0	0	0	0	113.6	P263 W268 L274 D286 Y287	P263-T284 HydrophobicContact CB-CG2 4.25Å; W268-T284 HydrophobicContact CB-CG2 3.72Å; L274-T284 HydrophobicContact CD1-CG2 4.02Å; T284-D286 VanDerWaalsContact C-N 3.35Å; T284-Y287 HydrophobicContact CG2-CE2 4.15Å; T284-Y287 WeakPolarHBondContact O-CD2 3.44Å
285	A	96.8	Very high	97.5	Very high	67 Å²	67	50.9 Å²	50.9	55%	0.554	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-79	-19.8	176	0	0	0	0	0	112.7	E270 T283	E270-A285 HydrophobicContact CG-CB 4.29Å; T283-A285 PolarHBondContact O-N 2.81Å; T283-A285 PolarHBondContact OG1-N 3.29Å; T283-A285 VanDerWaalsContact OG1-N 3.14Å
286	D	97.8	Very high	97.5	Very high	37 Å²	37	52.3 Å²	52.3	20%	0.198	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-98	17.3	-173.5	-57.8	-81.8	0	0	0	113.3	R280 Y282 T283 T284 E288 D289 F290	R280-D286 IonicContact NH2-OD1 2.94Å; R280-D286 PolarHBondContact NH2-OD1 3.38Å; Y282-D286 HydrophobicContact CD1-CB 4.07Å; T283-D286 WeakPolarHBondContact CB-OD2 3.36Å; T283-D286 PolarHBondContact N-OD2 3.25Å; T283-D286 PolarHBondContact O-N 3.48Å; T283-D286 VanDerWaalsContact O-N 3.16Å; T283-D286 PolarHBondContact OG1-OD2 3.34Å; T284-D286 VanDerWaalsContact C-N 3.35Å; D286-E288 VanDerWaalsContact C-N 3.33Å; D286-E288 PolarHBondContact O-N 2.92Å; D286-D289 PolarHBondContact O-N 3.09Å; D286-F290 WeakPolarHBondContact O-CB 3.05Å; D286-F290 PolarHBondContact O-N 3.5Å
287	Y	97.7	Very high	97.4	Very high	4 Å²	4	52.2 Å²	52.2	2%	0.016	28%	0.284	C	S	.	.	H	α-helix	trans	-62.1	-37	-172.3	-80.5	-45.4	0	0	0	113.9	L262 P263 L274 T284 F290 F291 Y303	L262-Y287 HydrophobicContact CD1-CE1 4.45Å; L262-Y287 HydrophobicContact CD2-CE1 4.16Å; P263-Y287 WeakPolarHBondContact CB-OH 3.46Å; P263-Y287 WeakPolarHBondContact CD-OH 3.35Å; P263-Y287 PolarHBondContact O-OH 2.97Å; L274-Y287 HydrophobicContact CD1-CE1 3.9Å; L274-Y287 WeakPolarHBondContact CD1-OH 3.32Å; T284-Y287 HydrophobicContact CG2-CE2 4.15Å; T284-Y287 WeakPolarHBondContact O-CD2 3.44Å; Y287-F290 HydrophobicContact CD1-CD1 4.43Å; Y287-F290 PolarHBondContact O-N 3.16Å; Y287-F291 WeakPolarHBondContact O-CB 3.49Å; Y287-F291 WeakPolarHBondContact O-CD2 3.29Å; Y287-F291 PolarHBondContact O-N 3.32Å; Y287-Y303 HydrophobicContact CD2-CD2 4.28Å; Y287-Y303 AromaticContact CD2-CE1 3.96Å; Y287-Y303 HydrophobicContact CD2-CE1 3.96Å; Y287-Y303 AromaticContact CD2-CE2 3.62Å; Y287-Y303 HydrophobicContact CD2-CE2 3.62Å; Y287-Y303 AromaticContact CD2-CZ 3.43Å; Y287-Y303 VanDerWaalsContact CD2-CZ 3.43Å; Y287-Y303 HydrophobicContact CE2-CD2 4.46Å; Y287-Y303 AromaticContact CE2-CE2 3.58Å; Y287-Y303 HydrophobicContact CE2-CE2 3.58Å; Y287-Y303 AromaticContact CE2-CZ 3.67Å
288	E	98.2	Very high	97.4	Very high	95 Å²	95	53.5 Å²	53.5	44%	0.444	29%	0.288	S	S	.	.	H	α-helix	trans	-59.7	-50.9	175.8	-179.2	159.4	-134.1	0	0	111.1	D286 F290 F291 N292 W300	D286-E288 VanDerWaalsContact C-N 3.33Å; D286-E288 PolarHBondContact O-N 2.92Å; E288-F290 PolarHBondContact O-N 2.83Å; E288-F291 PolarHBondContact O-N 3.31Å; E288-N292 VanDerWaalsContact O-CG 3.31Å; E288-N292 PolarHBondContact O-N 3.05Å; E288-N292 PolarHBondContact O-ND2 3Å; E288-N292 VanDerWaalsContact O-ND2 3.15Å; E288-W300 HydrophobicContact CB-CD2 3.95Å; E288-W300 HydrophobicContact CB-CE3 4.4Å; E288-W300 HydrophobicContact CB-CG 4.25Å; E288-W300 HydrophobicContact CB-CZ2 4.1Å; E288-W300 HydrophobicContact CG-CD2 4.42Å; E288-W300 HydrophobicContact CG-CG 4.29Å; E288-W300 PolarHBondContact OE1-NE1 3.47Å
289	D	98.2	Very high	97.6	Very high	64 Å²	64	48.8 Å²	48.8	34%	0.342	27%	0.266	S	S	.	.	H	α-helix	trans	-62.1	-42.7	176.4	-73.7	-18.5	0	0	0	112	R280 Y282 D286 F291 N292 D293	R280-D289 IonicContact CZ-OD2 2.94Å; R280-D289 VanDerWaalsContact NH1-CB 3.32Å; R280-D289 IonicContact NH1-OD2 3.89Å; R280-D289 PolarHBondContact NH1-OD2 2.86Å; R280-D289 IonicContact NH2-OD2 2.66Å; R280-D289 PolarHBondContact NH2-OD2 2.84Å; Y282-D289 HydrophobicContact CE1-CB 4.5Å; D286-D289 PolarHBondContact O-N 3.09Å; D289-F291 VanDerWaalsContact C-N 3.35Å; D289-F291 PolarHBondContact O-N 3.5Å; D289-N292 PolarHBondContact O-N 3.47Å; D289-D293 VanDerWaalsContact O-CB 3.3Å; D289-D293 WeakPolarHBondContact O-CB 3.42Å; D289-D293 VanDerWaalsContact O-CG 3.31Å; D289-D293 PolarHBondContact O-N 3.34Å
290	F	98.3	Very high	97.8	Very high	3 Å²	3	42 Å²	42	1%	0.013	24%	0.235	C	C	.	.	H	α-helix	trans	-56.4	-48.4	175.3	171.9	-104.8	0	0	0	111.4	V227 F230 A231 V275 Y282 D286 Y287 E288 N292 D293 I294 F341	V227-F290 HydrophobicContact CG1-CE2 4.29Å; V227-F290 HydrophobicContact CG1-CZ 3.95Å; F230-F290 HydrophobicContact CB-CE1 4.03Å; F230-F290 HydrophobicContact CB-CZ 4.28Å; A231-F290 HydrophobicContact CB-CE2 4.16Å; A231-F290 HydrophobicContact CB-CZ 4Å; V275-F290 HydrophobicContact CG2-CD2 4.48Å; V275-F290 HydrophobicContact CG2-CE2 4Å; Y282-F290 HydrophobicContact CD1-CB 3.63Å; Y282-F290 HydrophobicContact CD1-CD2 4.24Å; Y282-F290 HydrophobicContact CD1-CG 4.45Å; Y282-F290 HydrophobicContact CD2-CD2 4.46Å; Y282-F290 HydrophobicContact CE1-CB 4.09Å; Y282-F290 HydrophobicContact CG-CB 4.24Å; Y282-F290 HydrophobicContact CG-CD2 4.17Å; D286-F290 WeakPolarHBondContact O-CB 3.05Å; D286-F290 PolarHBondContact O-N 3.5Å; Y287-F290 HydrophobicContact CD1-CD1 4.43Å; Y287-F290 PolarHBondContact O-N 3.16Å; E288-F290 PolarHBondContact O-N 2.83Å; F290-N292 PolarHBondContact O-N 3.21Å; F290-D293 PolarHBondContact O-N 3.28Å; F290-I294 HydrophobicContact CD1-CD1 4.38Å; F290-I294 HydrophobicContact CD2-CG2 4.13Å; F290-I294 HydrophobicContact CE1-CD1 3.89Å; F290-I294 HydrophobicContact CE2-CG2 3.8Å; F290-I294 HydrophobicContact CZ-CD1 4.13Å; F290-I294 HydrophobicContact CZ-CG2 4.07Å; F290-I294 WeakPolarHBondContact O-CG1 3.26Å; F290-I294 WeakPolarHBondContact O-CG2 3.41Å; F290-I294 PolarHBondContact O-N 3.17Å; F290-F341 HydrophobicContact CD2-CZ 4.08Å; F290-F341 HydrophobicContact CE2-CE2 4.16Å; F290-F341 AromaticContact CE2-CZ 3.96Å; F290-F341 HydrophobicContact CE2-CZ 3.96Å
291	F	98.6	Very high	97.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65.5	-37.4	179.6	-80.8	-60.1	0	0	0	112.8	F230 L262 Y287 E288 D289 I294 Y296 G299 W300	F230-F291 HydrophobicContact CB-CE1 4.46Å; F230-F291 AromaticContact CD1-CE1 3.6Å; F230-F291 HydrophobicContact CD1-CE1 3.6Å; F230-F291 HydrophobicContact CD1-CZ 4.37Å; F230-F291 HydrophobicContact CD2-CE1 4.44Å; F230-F291 AromaticContact CE1-CE1 3.87Å; F230-F291 HydrophobicContact CE1-CE1 3.87Å; F230-F291 HydrophobicContact CE1-CZ 4.38Å; F230-F291 AromaticContact CG-CE1 3.93Å; F230-F291 HydrophobicContact CG-CE1 3.93Å; F230-F291 HydrophobicContact CG-CZ 4.48Å; F230-F291 HydrophobicContact CZ-CE1 4.4Å; F230-F291 HydrophobicContact CZ-CZ 4.47Å; L262-F291 HydrophobicContact CD1-CE2 4.11Å; L262-F291 HydrophobicContact CD1-CZ 3.7Å; Y287-F291 WeakPolarHBondContact O-CB 3.49Å; Y287-F291 WeakPolarHBondContact O-CD2 3.29Å; Y287-F291 PolarHBondContact O-N 3.32Å; E288-F291 PolarHBondContact O-N 3.31Å; D289-F291 VanDerWaalsContact C-N 3.35Å; D289-F291 PolarHBondContact O-N 3.5Å; F291-I294 HydrophobicContact CD1-CD1 3.94Å; F291-I294 HydrophobicContact CE1-CD1 4.44Å; F291-I294 WeakPolarHBondContact O-CG1 3.35Å; F291-Y296 HydrophobicContact CD1-CD1 4.41Å; F291-Y296 WeakPolarHBondContact CD1-O 3.39Å; F291-Y296 CarbonylContact O-C 3.6Å; F291-Y296 WeakPolarHBondContact O-CA 3.48Å; F291-Y296 PolarHBondContact O-N 3.32Å; F291-G299 VanDerWaalsContact CE2-C 3.5Å; F291-G299 WeakPolarHBondContact CE2-O 3.36Å; F291-G299 VanDerWaalsContact CZ-C 3.5Å; F291-G299 WeakPolarHBondContact CZ-O 3.44Å; F291-W300 HydrophobicContact CB-CB 4.09Å; F291-W300 VanDerWaalsContact CD2-CA 3.5Å; F291-W300 HydrophobicContact CD2-CB 3.79Å; F291-W300 HydrophobicContact CD2-CE3 4.39Å; F291-W300 VanDerWaalsContact CD2-N 3.33Å; F291-W300 HydrophobicContact CG-CB 4.2Å
292	N	98.3	Very high	97.9	Very high	79 Å²	79	35.7 Å²	35.7	42%	0.422	21%	0.209	S	C	.	.	H	α-helix	trans	-64.2	-49.3	173.3	-70.4	-33	0	0	0	111.2	E288 D289 F290 I294 G295	E288-N292 VanDerWaalsContact O-CG 3.31Å; E288-N292 PolarHBondContact O-N 3.05Å; E288-N292 PolarHBondContact O-ND2 3Å; E288-N292 VanDerWaalsContact O-ND2 3.15Å; D289-N292 PolarHBondContact O-N 3.47Å; F290-N292 PolarHBondContact O-N 3.21Å; N292-I294 VanDerWaalsContact C-N 3.32Å; N292-I294 PolarHBondContact O-N 3.43Å; N292-G295 PolarHBondContact O-N 3.25Å
293	D	98	Very high	97.9	Very high	80 Å²	80	36.1 Å²	36.1	43%	0.428	21%	0.211	S	C	.	.	H	α-helix	trans	-70	-24.9	-174.7	-73.3	-23	0	0	0	113.2	Y282 D289 F290 G295 F341	Y282-D293 HydrophobicContact CE1-CB 4.31Å; Y282-D293 VanDerWaalsContact OH-CB 3.29Å; Y282-D293 WeakPolarHBondContact OH-CB 3.43Å; Y282-D293 PolarHBondContact OH-OD2 3.01Å; D289-D293 VanDerWaalsContact O-CB 3.3Å; D289-D293 WeakPolarHBondContact O-CB 3.42Å; D289-D293 VanDerWaalsContact O-CG 3.31Å; D289-D293 PolarHBondContact O-N 3.34Å; F290-D293 PolarHBondContact O-N 3.28Å; D293-G295 VanDerWaalsContact C-N 3.29Å; D293-F341 HydrophobicContact CB-CE1 4.18Å
294	I	97.8	Very high	97.8	Very high	7 Å²	7	40.2 Å²	40.2	4%	0.036	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	0.4	171.3	71	178.2	0	0	0	114.2	F230 A231 R253 F290 F291 N292 F341 P342	F230-I294 HydrophobicContact CB-CD1 4.07Å; A231-I294 HydrophobicContact CB-CG2 4.5Å; R253-I294 PolarHBondContact NH1-O 3.2Å; R253-I294 PolarHBondContact NH2-O 3.11Å; F290-I294 HydrophobicContact CD1-CD1 4.38Å; F290-I294 HydrophobicContact CD2-CG2 4.13Å; F290-I294 HydrophobicContact CE1-CD1 3.89Å; F290-I294 HydrophobicContact CE2-CG2 3.8Å; F290-I294 HydrophobicContact CZ-CD1 4.13Å; F290-I294 HydrophobicContact CZ-CG2 4.07Å; F290-I294 WeakPolarHBondContact O-CG1 3.26Å; F290-I294 WeakPolarHBondContact O-CG2 3.41Å; F290-I294 PolarHBondContact O-N 3.17Å; F291-I294 HydrophobicContact CD1-CD1 3.94Å; F291-I294 HydrophobicContact CE1-CD1 4.44Å; F291-I294 WeakPolarHBondContact O-CG1 3.35Å; N292-I294 VanDerWaalsContact C-N 3.32Å; N292-I294 PolarHBondContact O-N 3.43Å; I294-F341 HydrophobicContact CG2-CE1 3.87Å; I294-F341 HydrophobicContact CG2-CE2 3.95Å; I294-F341 HydrophobicContact CG2-CZ 3.29Å; I294-P342 HydrophobicContact CB-CB 4.14Å; I294-P342 HydrophobicContact CB-CG 4.26Å; I294-P342 HydrophobicContact CG2-CB 3.89Å; I294-P342 HydrophobicContact CG2-CG 4.47Å
295	G	97.7	Very high	97.7	Very high	57 Å²	57	42.2 Å²	42.2	59%	0.588	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.2	36.7	-176.4	0	0	0	0	0	113.5	N292 D293	N292-G295 PolarHBondContact O-N 3.25Å; D293-G295 VanDerWaalsContact C-N 3.29Å
296	Y	97.9	Very high	97.8	Very high	31 Å²	31	39 Å²	39	12%	0.122	21%	0.211	C	C	.	.			trans	-141.9	63.4	177.8	-165.6	-114	0	0	0	112.6	F230 R253 F291 Q298 G299 M302	F230-Y296 HydrophobicContact CD1-CD1 4.32Å; F230-Y296 HydrophobicContact CE1-CD1 4.38Å; F230-Y296 HydrophobicContact CE1-CE1 4.21Å; R253-Y296 HydrophobicContact CB-CD1 4.09Å; R253-Y296 HydrophobicContact CB-CE1 3.74Å; R253-Y296 HydrophobicContact CB-CE2 4.36Å; R253-Y296 HydrophobicContact CG-CD1 4.22Å; R253-Y296 HydrophobicContact CG-CE1 4.36Å; R253-Y296 WeakPolarHBondContact O-CE1 3.49Å; R253-Y296 PolarHBondContact O-OH 2.85Å; F291-Y296 HydrophobicContact CD1-CD1 4.41Å; F291-Y296 WeakPolarHBondContact CD1-O 3.39Å; F291-Y296 CarbonylContact O-C 3.6Å; F291-Y296 WeakPolarHBondContact O-CA 3.48Å; F291-Y296 PolarHBondContact O-N 3.32Å; Y296-Q298 HydrophobicContact CE1-CB 4.48Å; Y296-Q298 HydrophobicContact CE2-CB 4.18Å; Y296-Q298 PolarHBondContact O-N 3.18Å; Y296-Q298 PolarHBondContact OH-OE1 3.36Å; Y296-G299 PolarHBondContact O-N 3.38Å; Y296-M302 HydrophobicContact CE1-SD 4.26Å
297	P	97.7	Very high	97.6	Very high	75 Å²	75	38.6 Å²	38.6	49%	0.487	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-30	-178.4	23	-34.5	0	0	0	113.5	G299 W300	P297-G299 PolarHBondContact O-N 3.42Å; P297-G299 VanDerWaalsContact O-N 3.13Å; P297-W300 VanDerWaalsContact O-CB 3.3Å; P297-W300 WeakPolarHBondContact O-CB 3.35Å; P297-W300 PolarHBondContact O-N 3.41Å
298	Q	97.5	Very high	97.4	Very high	49 Å²	49	45.2 Å²	45.2	23%	0.229	24%	0.238	C	C	.	.	H	α-helix	trans	-55.8	-30	175.2	179	168.8	84.6	0	0	112.9	Y87 Y296 W300 A301 M302	Y87-Q298 HydrophobicContact CD1-CG 3.87Å; Y87-Q298 HydrophobicContact CG-CG 4.45Å; Y87-Q298 PolarHBondContact O-NE2 2.92Å; Y296-Q298 HydrophobicContact CE1-CB 4.48Å; Y296-Q298 HydrophobicContact CE2-CB 4.18Å; Y296-Q298 PolarHBondContact O-N 3.18Å; Y296-Q298 PolarHBondContact OH-OE1 3.36Å; Q298-W300 PolarHBondContact O-N 3.26Å; Q298-A301 WeakPolarHBondContact O-CB 3.17Å; Q298-A301 PolarHBondContact O-N 3.01Å; Q298-A301 VanDerWaalsContact O-N 3.12Å; Q298-M302 HydrophobicContact CG-SD 4.31Å; Q298-M302 WeakPolarHBondContact O-CG 3.3Å; Q298-M302 PolarHBondContact O-N 2.96Å
299	G	98	Very high	97.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.5	-30	175.6	0	0	0	0	0	113.2	F291 Y296 P297 M302 Y303	F291-G299 VanDerWaalsContact CE2-C 3.5Å; F291-G299 WeakPolarHBondContact CE2-O 3.36Å; F291-G299 VanDerWaalsContact CZ-C 3.5Å; F291-G299 WeakPolarHBondContact CZ-O 3.44Å; Y296-G299 PolarHBondContact O-N 3.38Å; P297-G299 PolarHBondContact O-N 3.42Å; P297-G299 VanDerWaalsContact O-N 3.13Å; G299-M302 PolarHBondContact O-N 2.83Å; G299-Y303 WeakPolarHBondContact O-CB 3.19Å; G299-Y303 PolarHBondContact O-N 2.9Å
300	W	98	Very high	97.2	Very high	53 Å²	53	39.4 Å²	39.4	20%	0.201	21%	0.209	C	C	.	.	H	α-helix	trans	-67.9	-40.4	173.8	176.3	-134.3	0	0	0	111.9	E288 F291 P297 Q298 M302 Y303 K304	E288-W300 HydrophobicContact CB-CD2 3.95Å; E288-W300 HydrophobicContact CB-CE3 4.4Å; E288-W300 HydrophobicContact CB-CG 4.25Å; E288-W300 HydrophobicContact CB-CZ2 4.1Å; E288-W300 HydrophobicContact CG-CD2 4.42Å; E288-W300 HydrophobicContact CG-CG 4.29Å; E288-W300 PolarHBondContact OE1-NE1 3.47Å; F291-W300 HydrophobicContact CB-CB 4.09Å; F291-W300 VanDerWaalsContact CD2-CA 3.5Å; F291-W300 HydrophobicContact CD2-CB 3.79Å; F291-W300 HydrophobicContact CD2-CE3 4.39Å; F291-W300 VanDerWaalsContact CD2-N 3.33Å; F291-W300 HydrophobicContact CG-CB 4.2Å; P297-W300 VanDerWaalsContact O-CB 3.3Å; P297-W300 WeakPolarHBondContact O-CB 3.35Å; P297-W300 PolarHBondContact O-N 3.41Å; Q298-W300 PolarHBondContact O-N 3.26Å; W300-M302 VanDerWaalsContact C-N 3.35Å; W300-Y303 AromaticContact CE3-CD1 3.66Å; W300-Y303 HydrophobicContact CE3-CD1 3.66Å; W300-Y303 HydrophobicContact CE3-CE1 4.44Å; W300-Y303 HydrophobicContact CE3-CG 4.28Å; W300-Y303 HydrophobicContact CH2-CD1 4.18Å; W300-Y303 HydrophobicContact CH2-CE1 4.31Å; W300-Y303 AromaticContact CZ3-CD1 3.24Å; W300-Y303 HydrophobicContact CZ3-CD1 3.24Å; W300-Y303 AromaticContact CZ3-CE1 3.6Å; W300-Y303 HydrophobicContact CZ3-CE1 3.6Å; W300-Y303 HydrophobicContact CZ3-CG 4.23Å; W300-Y303 PolarHBondContact O-N 2.72Å; W300-K304 HydrophobicContact CD2-CD 4.18Å; W300-K304 HydrophobicContact CD2-CG 4.06Å; W300-K304 HydrophobicContact CE3-CG 4.27Å; W300-K304 HydrophobicContact CH2-CD 4.42Å; W300-K304 HydrophobicContact CH2-CG 4.07Å; W300-K304 HydrophobicContact CZ2-CD 3.72Å; W300-K304 HydrophobicContact CZ2-CG 3.86Å; W300-K304 HydrophobicContact CZ3-CG 4.28Å; W300-K304 WeakPolarHBondContact O-CG 3.27Å; W300-K304 PolarHBondContact O-N 2.76Å
301	A	97.8	Very high	96.8	Very high	17 Å²	17	42.2 Å²	42.2	14%	0.14	23%	0.228	C	C	.	.	H	α-helix	trans	-61.1	-45	173.5	0	0	0	0	0	111.1	Y87 E89 Q298 Y303 K304 N305	Y87-A301 HydrophobicContact CE1-CB 3.98Å; E89-A301 HydrophobicContact CG-CB 4.08Å; Q298-A301 WeakPolarHBondContact O-CB 3.17Å; Q298-A301 PolarHBondContact O-N 3.01Å; Q298-A301 VanDerWaalsContact O-N 3.12Å; A301-Y303 PolarHBondContact O-N 2.96Å; A301-K304 PolarHBondContact O-N 3.42Å; A301-N305 WeakPolarHBondContact O-CB 3.43Å; A301-N305 PolarHBondContact O-N 3.32Å
302	M	98	Very high	96.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.5	-41.4	175.8	-64.1	167.5	67	0	0	112.6	Y87 R253 T254 M255 T256 A259 Y296 Q298 G299 W300 N305 T306	Y87-M302 HydrophobicContact CD1-CG 3.89Å; Y87-M302 HydrophobicContact CD2-CG 3.74Å; Y87-M302 HydrophobicContact CE1-CG 3.94Å; Y87-M302 HydrophobicContact CE2-CG 3.83Å; Y87-M302 HydrophobicContact CG-CG 3.79Å; Y87-M302 HydrophobicContact CG-SD 4.37Å; R253-M302 WeakPolarHBondContact O-CE 3.39Å; T254-M302 WeakPolarHBondContact O-CE 3.1Å; M255-M302 VanDerWaalsContact O-CE 3.26Å; M255-M302 WeakPolarHBondContact O-CE 3.14Å; T256-M302 HydrophobicContact CG2-CE 3.63Å; T256-M302 HydrophobicContact CG2-CG 4.25Å; A259-M302 HydrophobicContact CB-CB 3.72Å; A259-M302 HydrophobicContact CB-CE 4.49Å; Y296-M302 HydrophobicContact CE1-SD 4.26Å; Q298-M302 HydrophobicContact CG-SD 4.31Å; Q298-M302 WeakPolarHBondContact O-CG 3.3Å; Q298-M302 PolarHBondContact O-N 2.96Å; G299-M302 PolarHBondContact O-N 2.83Å; W300-M302 VanDerWaalsContact C-N 3.35Å; M302-N305 PolarHBondContact O-N 3.33Å; M302-T306 WeakPolarHBondContact O-CG2 3.28Å; M302-T306 PolarHBondContact O-N 3.21Å; M302-T306 VanDerWaalsContact O-N 3.16Å; M302-T306 PolarHBondContact O-OG1 3.16Å
303	Y	97.4	Very high	96.2	Very high	18 Å²	18	43.4 Å²	43.4	7%	0.071	23%	0.234	C	C	.	.	H	α-helix	trans	-61.7	-51.1	176.4	174.6	-93.5	0	0	0	111.1	L262 Y287 G299 W300 A301 N305 T306 R307	L262-Y303 HydrophobicContact CB-CD2 4.22Å; L262-Y303 HydrophobicContact CB-CE2 4.21Å; L262-Y303 HydrophobicContact CD1-CD2 3.76Å; L262-Y303 HydrophobicContact CD1-CE2 4.43Å; Y287-Y303 HydrophobicContact CD2-CD2 4.28Å; Y287-Y303 AromaticContact CD2-CE1 3.96Å; Y287-Y303 HydrophobicContact CD2-CE1 3.96Å; Y287-Y303 AromaticContact CD2-CE2 3.62Å; Y287-Y303 HydrophobicContact CD2-CE2 3.62Å; Y287-Y303 AromaticContact CD2-CZ 3.43Å; Y287-Y303 VanDerWaalsContact CD2-CZ 3.43Å; Y287-Y303 HydrophobicContact CE2-CD2 4.46Å; Y287-Y303 AromaticContact CE2-CE2 3.58Å; Y287-Y303 HydrophobicContact CE2-CE2 3.58Å; Y287-Y303 AromaticContact CE2-CZ 3.67Å; G299-Y303 WeakPolarHBondContact O-CB 3.19Å; G299-Y303 PolarHBondContact O-N 2.9Å; W300-Y303 AromaticContact CE3-CD1 3.66Å; W300-Y303 HydrophobicContact CE3-CD1 3.66Å; W300-Y303 HydrophobicContact CE3-CE1 4.44Å; W300-Y303 HydrophobicContact CE3-CG 4.28Å; W300-Y303 HydrophobicContact CH2-CD1 4.18Å; W300-Y303 HydrophobicContact CH2-CE1 4.31Å; W300-Y303 AromaticContact CZ3-CD1 3.24Å; W300-Y303 HydrophobicContact CZ3-CD1 3.24Å; W300-Y303 AromaticContact CZ3-CE1 3.6Å; W300-Y303 HydrophobicContact CZ3-CE1 3.6Å; W300-Y303 HydrophobicContact CZ3-CG 4.23Å; W300-Y303 PolarHBondContact O-N 2.72Å; A301-Y303 PolarHBondContact O-N 2.96Å; Y303-N305 VanDerWaalsContact C-N 3.26Å; Y303-N305 PolarHBondContact O-N 3.31Å; Y303-T306 PolarHBondContact O-N 3.25Å; Y303-T306 VanDerWaalsContact O-N 3.09Å; Y303-T306 PolarHBondContact O-OG1 2.78Å; Y303-R307 HydrophobicContact CD1-CB 4.44Å; Y303-R307 HydrophobicContact CE1-CB 4.11Å; Y303-R307 HydrophobicContact CE1-CG 4.01Å; Y303-R307 HydrophobicContact CE2-CB 4.45Å; Y303-R307 HydrophobicContact CE2-CG 4.34Å; Y303-R307 VanDerWaalsContact O-CB 3.29Å; Y303-R307 WeakPolarHBondContact O-CB 3.41Å; Y303-R307 PolarHBondContact O-N 3.07Å; Y303-R307 VanDerWaalsContact OH-CD 3.24Å; Y303-R307 WeakPolarHBondContact OH-CD 3.08Å
304	K	96.8	Very high	96.1	Very high	101 Å²	101	42.9 Å²	42.9	44%	0.439	23%	0.231	S	C	.	.	H	α-helix	trans	-56.7	-41.9	177.2	-73.4	-174.6	-65.7	-170.4	0	111.9	W300 A301 T306 H308	W300-K304 HydrophobicContact CD2-CD 4.18Å; W300-K304 HydrophobicContact CD2-CG 4.06Å; W300-K304 HydrophobicContact CE3-CG 4.27Å; W300-K304 HydrophobicContact CH2-CD 4.42Å; W300-K304 HydrophobicContact CH2-CG 4.07Å; W300-K304 HydrophobicContact CZ2-CD 3.72Å; W300-K304 HydrophobicContact CZ2-CG 3.86Å; W300-K304 HydrophobicContact CZ3-CG 4.28Å; W300-K304 WeakPolarHBondContact O-CG 3.27Å; W300-K304 PolarHBondContact O-N 2.76Å; A301-K304 PolarHBondContact O-N 3.42Å; K304-T306 VanDerWaalsContact C-N 3.27Å; K304-T306 PolarHBondContact O-N 3.45Å; K304-H308 PolarHBondContact O-CD2 3.18Å
305	N	96.2	Very high	96.1	Very high	49 Å²	49	44.1 Å²	44.1	26%	0.262	24%	0.24	S	C	.	.	H	α-helix	trans	-64.4	-29.8	179.9	-173.3	-80.2	0	0	0	113.3	Y87 G92 N157 H158 A301 M302 Y303	Y87-N305 WeakPolarHBondContact OH-CB 3.45Å; Y87-N305 PolarHBondContact OH-ND2 3.21Å; G92-N305 PolarHBondContact O-ND2 3.23Å; N157-N305 PolarHBondContact ND2-OD1 2.77Å; H158-N305 PolarHBondContact NE2-OD1 3.27Å; A301-N305 WeakPolarHBondContact O-CB 3.43Å; A301-N305 PolarHBondContact O-N 3.32Å; M302-N305 PolarHBondContact O-N 3.33Å; Y303-N305 VanDerWaalsContact C-N 3.26Å; Y303-N305 PolarHBondContact O-N 3.31Å
306	T	97	Very high	96.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-108.3	-20.7	-172.2	56.7	0	0	0	0	114.6	A155 F260 M302 Y303 K304 H308 L309	A155-T306 HydrophobicContact CB-CG2 3.5Å; A155-T306 VanDerWaalsContact CB-CG2 3.5Å; F260-T306 HydrophobicContact CB-CG2 4.39Å; F260-T306 PolarHBondContact N-OG1 3.41Å; M302-T306 WeakPolarHBondContact O-CG2 3.28Å; M302-T306 PolarHBondContact O-N 3.21Å; M302-T306 VanDerWaalsContact O-N 3.16Å; M302-T306 PolarHBondContact O-OG1 3.16Å; Y303-T306 PolarHBondContact O-N 3.25Å; Y303-T306 VanDerWaalsContact O-N 3.09Å; Y303-T306 PolarHBondContact O-OG1 2.78Å; K304-T306 VanDerWaalsContact C-N 3.27Å; K304-T306 PolarHBondContact O-N 3.45Å; T306-H308 PolarHBondContact O-N 2.92Å; T306-L309 HydrophobicContact CG2-CD1 4.47Å; T306-L309 WeakPolarHBondContact O-CB 3.39Å; T306-L309 VanDerWaalsContact O-CG 3.24Å; T306-L309 WeakPolarHBondContact O-CG 3.08Å; T306-L309 PolarHBondContact O-N 3.2Å
307	R	94.6	Very high	96.1	Very high	29 Å²	29	40.5 Å²	40.5	11%	0.109	21%	0.212	C	C	.	.	H	α-helix	trans	-62	-29.9	-175.2	-175.5	61.5	-82.8	144.6	-0.6	113.4	Y303 L309	Y303-R307 HydrophobicContact CD1-CB 4.44Å; Y303-R307 HydrophobicContact CE1-CB 4.11Å; Y303-R307 HydrophobicContact CE1-CG 4.01Å; Y303-R307 HydrophobicContact CE2-CB 4.45Å; Y303-R307 HydrophobicContact CE2-CG 4.34Å; Y303-R307 VanDerWaalsContact O-CB 3.29Å; Y303-R307 WeakPolarHBondContact O-CB 3.41Å; Y303-R307 PolarHBondContact O-N 3.07Å; Y303-R307 VanDerWaalsContact OH-CD 3.24Å; Y303-R307 WeakPolarHBondContact OH-CD 3.08Å; R307-L309 VanDerWaalsContact C-N 3.33Å; R307-L309 PolarHBondContact O-N 3.08Å
308	H	93.8	Very high	96.2	Very high	143 Å²	143	37.1 Å²	37.1	66%	0.662	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-1.9	-177.6	-57.6	-62.4	0	0	0	114.6	K304 T306 I310 P311	K304-H308 PolarHBondContact O-CD2 3.18Å; T306-H308 PolarHBondContact O-N 2.92Å; H308-I310 PolarHBondContact O-N 3.32Å; H308-P311 WeakPolarHBondContact O-CD 3.33Å
309	L	95.9	Very high	96.2	Very high	29 Å²	29	37 Å²	37	15%	0.152	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-34.8	-177	-60.2	178.5	0	0	0	112.5	A155 P156 N157 Y196 F260 T306 R307	A155-L309 HydrophobicContact CB-CD1 4.11Å; P156-L309 HydrophobicContact CB-CD1 4.37Å; P156-L309 HydrophobicContact CG-CD1 4.38Å; N157-L309 HydrophobicContact CB-CD1 4.21Å; N157-L309 HydrophobicContact CB-CD2 3.65Å; N157-L309 WeakPolarHBondContact OD1-CD1 3.32Å; Y196-L309 HydrophobicContact CD2-CB 3.96Å; Y196-L309 WeakPolarHBondContact CD2-O 3.35Å; Y196-L309 HydrophobicContact CE2-CB 4.02Å; Y196-L309 HydrophobicContact CE2-CD2 3.91Å; Y196-L309 HydrophobicContact CE2-CG 4.49Å; F260-L309 HydrophobicContact CD2-CB 4.49Å; F260-L309 HydrophobicContact CD2-CD1 4.18Å; F260-L309 HydrophobicContact CE2-CB 3.9Å; F260-L309 HydrophobicContact CE2-CD1 4.23Å; T306-L309 HydrophobicContact CG2-CD1 4.47Å; T306-L309 WeakPolarHBondContact O-CB 3.39Å; T306-L309 VanDerWaalsContact O-CG 3.24Å; T306-L309 WeakPolarHBondContact O-CG 3.08Å; T306-L309 PolarHBondContact O-N 3.2Å; R307-L309 VanDerWaalsContact C-N 3.33Å; R307-L309 PolarHBondContact O-N 3.08Å
310	I	95.1	Very high	96.2	Very high	7 Å²	7	37 Å²	37	4%	0.036	19%	0.189	C	C	.	.	S	Bend	trans	-137.6	74.9	175	-52.5	-179.7	0	0	0	106.9	L192 L195 F260 H308 L313	L192-I310 HydrophobicContact CB-CD1 4.2Å; L192-I310 HydrophobicContact CD2-CD1 4.22Å; L192-I310 WeakPolarHBondContact O-CD1 3.27Å; L195-I310 HydrophobicContact CB-CD1 4.11Å; L195-I310 HydrophobicContact CD2-CD1 4.04Å; L195-I310 HydrophobicContact CD2-CG2 3.79Å; L195-I310 HydrophobicContact CG-CD1 4.15Å; L195-I310 HydrophobicContact CG-CG2 4.41Å; F260-I310 HydrophobicContact CE2-CD1 4.43Å; F260-I310 HydrophobicContact CE2-CG1 4.34Å; F260-I310 HydrophobicContact CZ-CD1 3.75Å; F260-I310 HydrophobicContact CZ-CG1 4.09Å; H308-I310 PolarHBondContact O-N 3.32Å; I310-L313 HydrophobicContact CG2-CD1 4.23Å
311	P	90	Very high	96.2	Very high	62 Å²	62	34.8 Å²	34.8	40%	0.403	18%	0.181	S	C	.	.	S	Bend	trans	-72.9	-41.1	-167.9	26.9	-30.6	0	0	0	111.7	H308	H308-P311 WeakPolarHBondContact O-CD 3.33Å
312	N	89.9	Confident	96.3	Very high	96 Å²	96	34 Å²	34	51%	0.513	18%	0.175	S	C	.	.	S	Bend	trans	-107.9	2.5	-172.1	-61.8	-41.3	0	0	0	113.7	D314	N312-D314 WeakPolarHBondContact CB-OD1 3.33Å; N312-D314 PolarHBondContact O-N 2.84Å
313	L	94.9	Very high	96.3	Very high	8 Å²	8	34 Å²	34	4%	0.042	18%	0.175	C	C	.	.			trans	50.9	48.9	-167.8	-170	65.7	0	0	0	110.1	L195 Y220 I310 A364 Q367 W368	L195-L313 HydrophobicContact CD2-CD1 3.45Å; L195-L313 VanDerWaalsContact CD2-CD1 3.45Å; Y220-L313 HydrophobicContact CD1-CD1 3.68Å; Y220-L313 HydrophobicContact CG-CD1 4Å; Y220-L313 HydrophobicContact CG-CD2 4.48Å; I310-L313 HydrophobicContact CG2-CD1 4.23Å; L313-A364 HydrophobicContact CD2-CB 3.55Å; L313-Q367 VanDerWaalsContact CD2-NE2 3.3Å; L313-Q367 PolarHBondContact O-NE2 3.13Å; L313-W368 HydrophobicContact CD1-CZ2 3.83Å; L313-W368 HydrophobicContact CG-CZ2 3.89Å; L313-W368 PolarHBondContact O-NE1 2.98Å
314	D	96	Very high	96.4	Very high	69 Å²	69	33.2 Å²	33.2	37%	0.369	17%	0.172	S	C	.	.			trans	-58.8	139.2	-178.6	-62.9	-55.7	0	0	0	110.5	L195 N199 N312	L195-D314 WeakPolarHBondContact CD1-O 2.88Å; N199-D314 PolarHBondContact ND2-O 3.1Å; N312-D314 WeakPolarHBondContact CB-OD1 3.33Å; N312-D314 PolarHBondContact O-N 2.84Å
315	P	97.8	Very high	96.4	Very high	34 Å²	34	28.4 Å²	28.4	22%	0.221	15%	0.151	C	C	.	.			trans	-66.1	145.1	-174.7	26.7	-34	0	0	0	111.9	G317 W368 N371 Q372	P315-G317 PolarHBondContact O-N 2.96Å; P315-G317 VanDerWaalsContact O-N 3.16Å; P315-W368 HydrophobicContact CB-CB 4.14Å; P315-W368 HydrophobicContact CB-CD2 4.47Å; P315-W368 HydrophobicContact CB-CG 3.83Å; P315-N371 HydrophobicContact CG-CB 4.44Å; P315-N371 WeakPolarHBondContact CG-O 3.32Å; P315-Q372 HydrophobicContact CB-CB 3.77Å; P315-Q372 HydrophobicContact CB-CG 3.88Å; P315-Q372 HydrophobicContact CG-CB 4.02Å
316	P	98.1	Very high	96.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.142	C	C	.	.			trans	-71.3	-14.1	-173.3	30.1	-36.9	0	0	0	113.6	L195 Y198 K206 V318 V320 W368	L195-P316 HydrophobicContact CD1-CB 3.88Å; L195-P316 HydrophobicContact CD1-CG 4.38Å; Y198-P316 HydrophobicContact CD2-CB 3.55Å; Y198-P316 HydrophobicContact CE2-CB 4.39Å; Y198-P316 HydrophobicContact CG-CB 3.98Å; K206-P316 VanDerWaalsContact CD-O 3.26Å; K206-P316 WeakPolarHBondContact CD-O 3.4Å; K206-P316 WeakPolarHBondContact CE-O 3.2Å; K206-P316 PolarHBondContact NZ-O 2.87Å; P316-V318 VanDerWaalsContact C-N 3.28Å; P316-V318 HydrophobicContact CB-CG2 4.06Å; P316-V318 HydrophobicContact CG-CG2 4.13Å; P316-V318 PolarHBondContact O-N 3.31Å; P316-V320 HydrophobicContact CG-CG2 3.45Å; P316-V320 VanDerWaalsContact CG-CG2 3.45Å; P316-W368 HydrophobicContact CG-CE3 4.38Å; P316-W368 HydrophobicContact CG-CZ3 4.26Å
317	G	98.2	Very high	96.6	Very high	11 Å²	11	31.1 Å²	31.1	11%	0.113	17%	0.166	C	C	.	.	S	Bend	trans	72.6	19.9	179.8	0	0	0	0	0	114	Q203 P315	Q203-G317 PolarHBondContact NE2-O 3.03Å; P315-G317 PolarHBondContact O-N 2.96Å; P315-G317 VanDerWaalsContact O-N 3.16Å
318	V	98.2	Very high	96.8	Very high	5 Å²	5	30.9 Å²	30.9	3%	0.03	17%	0.168	C	C	.	.	S	Bend	trans	-125.7	166.1	173.7	-62	0	0	0	0	109.3	Y198 K206 I210 H213 P316 V320 Q372 K374	Y198-V318 HydrophobicContact CE2-CG2 4.38Å; K206-V318 HydrophobicContact CB-CG1 3.83Å; K206-V318 HydrophobicContact CD-CG1 4.16Å; K206-V318 HydrophobicContact CG-CG1 4.28Å; I210-V318 HydrophobicContact CB-CG1 4.03Å; I210-V318 HydrophobicContact CG1-CG1 4.5Å; I210-V318 HydrophobicContact CG2-CB 4.15Å; I210-V318 HydrophobicContact CG2-CG1 3.89Å; I210-V318 HydrophobicContact CG2-CG2 4.44Å; H213-V318 HydrophobicContact CB-CG2 4Å; P316-V318 VanDerWaalsContact C-N 3.28Å; P316-V318 HydrophobicContact CB-CG2 4.06Å; P316-V318 HydrophobicContact CG-CG2 4.13Å; P316-V318 PolarHBondContact O-N 3.31Å; V318-V320 HydrophobicContact CG2-CG2 4.43Å; V318-V320 PolarHBondContact O-N 3.12Å; V318-Q372 PolarHBondContact O-NE2 3.36Å; V318-K374 VanDerWaalsContact C-CB 3.41Å; V318-K374 WeakPolarHBondContact O-CB 3.38Å
319	E	98	Very high	97	Very high	45 Å²	45	28 Å²	28	21%	0.21	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	132.5	168.6	171.9	170.2	162.8	0	0	110	S212 H213 H321 P375 Y377	S212-E319 CarbonylContact C-O 3.53Å; S212-E319 VanDerWaalsContact CA-O 3.27Å; S212-E319 WeakPolarHBondContact CA-O 3.18Å; S212-E319 WeakPolarHBondContact CB-O 3.3Å; H213-E319 PolarHBondContact N-O 2.93Å; E319-H321 IonicContact OE1-CE1 2.72Å; E319-H321 IonicContact OE1-NE2 3.3Å; E319-H321 PolarHBondContact OE1-NE2 3.16Å; E319-H321 VanDerWaalsContact OE1-NE2 3.16Å; E319-P375 WeakPolarHBondContact CA-O 3.49Å; E319-P375 HydrophobicContact CB-CG 4.15Å; E319-P375 HydrophobicContact CG-CG 3.9Å; E319-Y377 HydrophobicContact CG-CD2 4.42Å; E319-Y377 HydrophobicContact CG-CE2 4.17Å; E319-Y377 WeakPolarHBondContact OE1-CE2 3.37Å
320	V	98.6	Very high	97	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	135.1	-176.8	178.9	0	0	0	0	110.3	H213 P316 V318 C322 W368 P375 V376 Y377	H213-V320 CarbonylContact O-C 3.51Å; H213-V320 WeakPolarHBondContact O-CA 3.18Å; P316-V320 HydrophobicContact CG-CG2 3.45Å; P316-V320 VanDerWaalsContact CG-CG2 3.45Å; V318-V320 HydrophobicContact CG2-CG2 4.43Å; V318-V320 PolarHBondContact O-N 3.12Å; V320-C322 HydrophobicContact CG1-CB 4.27Å; V320-W368 HydrophobicContact CG1-CE3 4.31Å; V320-W368 HydrophobicContact CG1-CZ3 4.21Å; V320-W368 HydrophobicContact CG2-CE3 4.3Å; V320-W368 HydrophobicContact CG2-CZ3 4.42Å; V320-P375 PolarHBondContact N-O 3.44Å; V320-V376 HydrophobicContact CB-CG1 4.32Å; V320-V376 HydrophobicContact CB-CG2 4.43Å; V320-V376 WeakPolarHBondContact O-CA 3.02Å; V320-Y377 PolarHBondContact O-N 2.78Å
321	H	98.5	Very high	97.1	Very high	8 Å²	8	26.5 Å²	26.5	4%	0.037	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	102.6	163.9	-57.5	-94.3	0	0	0	108.8	H213 I214 S215 E319 Y377 Y398 V402	H213-H321 PolarHBondContact O-N 2.99Å; I214-H321 HydrophobicContact CG1-CB 4.27Å; S215-H321 PolarHBondContact N-O 2.84Å; E319-H321 IonicContact OE1-CE1 2.72Å; E319-H321 IonicContact OE1-NE2 3.3Å; E319-H321 PolarHBondContact OE1-NE2 3.16Å; E319-H321 VanDerWaalsContact OE1-NE2 3.16Å; H321-Y377 CarbonylContact C-O 3.55Å; H321-Y377 WeakPolarHBondContact CA-O 3.14Å; H321-Y377 AromaticContact CE1-CD2 3.48Å; H321-Y377 VanDerWaalsContact CE1-CD2 3.48Å; H321-Y377 WeakPolarHBondContact CE1-CD2 3.39Å; H321-Y377 AromaticContact ND1-CD2 3.66Å; H321-Y398 HydrophobicContact CB-CE1 3.96Å; H321-Y398 AromaticContact ND1-CE1 3.69Å; H321-Y398 AromaticContact ND1-CZ 3.75Å; H321-Y398 PolarHBondContact ND1-OH 2.91Å; H321-V402 VanDerWaalsContact CE1-CG2 3.47Å; H321-V402 WeakPolarHBondContact CE1-CG2 3.39Å; H321-V402 WeakPolarHBondContact NE2-CG1 3.48Å
322	C	98.6	Very high	97.5	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.007	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	106.2	-176.7	-170.8	0	0	0	0	111.6	V320 C365 Y377 Y378 K379	V320-C322 HydrophobicContact CG1-CB 4.27Å; C322-C365 HydrophobicContact CB-CB 3.74Å; C322-C365 WeakPolarHBondContact CB-SG 3.26Å; C322-C365 WeakPolarHBondContact SG-CB 3.47Å; C322-C365 CovalentContact SG-SG 2.01Å; C322-C365 PolarHBondContact SG-SG 2.9Å; C322-Y377 PolarHBondContact N-O 3.39Å; C322-Y378 CarbonylContact O-C 3.46Å; C322-Y378 WeakPolarHBondContact O-CA 3.26Å; C322-K379 PolarHBondContact O-N 3.36Å
323	L	98.8	Very high	97.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	129.1	-172.9	-46.9	-177.5	0	0	0	109.9	I214 S215 L216 A217 K379 F381 V395 Y398 I399	I214-L323 HydrophobicContact CG2-CD1 3.89Å; I214-L323 HydrophobicContact CG2-CG 4.48Å; S215-L323 WeakPolarHBondContact O-CA 3.36Å; S215-L323 WeakPolarHBondContact O-CB 3.33Å; S215-L323 PolarHBondContact O-N 2.86Å; S215-L323 VanDerWaalsContact O-O 3.12Å; L216-L323 CarbonylContact C-O 3.56Å; L216-L323 WeakPolarHBondContact CA-O 3.18Å; L216-L323 HydrophobicContact CD2-CB 3.87Å; L216-L323 HydrophobicContact CD2-CD1 3.76Å; L216-L323 HydrophobicContact CD2-CG 4.25Å; A217-L323 PolarHBondContact N-O 2.84Å; L323-K379 WeakPolarHBondContact CA-O 3.18Å; L323-K379 HydrophobicContact CD2-CB 3.9Å; L323-F381 HydrophobicContact CB-CD2 4.46Å; L323-F381 HydrophobicContact CB-CE2 3.81Å; L323-F381 HydrophobicContact CD1-CE2 4.43Å; L323-F381 HydrophobicContact CD2-CE2 3.94Å; L323-F381 HydrophobicContact CD2-CZ 4.37Å; L323-F381 HydrophobicContact CG-CE2 4.25Å; L323-V395 HydrophobicContact CD1-CG1 4.36Å; L323-Y398 HydrophobicContact CD1-CD1 3.59Å; L323-Y398 HydrophobicContact CD1-CE1 3.97Å; L323-Y398 HydrophobicContact CD1-CG 4.35Å; L323-Y398 HydrophobicContact CD2-CD1 3.87Å; L323-Y398 HydrophobicContact CD2-CE1 3.63Å; L323-Y398 HydrophobicContact CD2-CE2 4.44Å; L323-Y398 HydrophobicContact CD2-CG 4.39Å; L323-Y398 HydrophobicContact CG-CD1 4.39Å; L323-Y398 HydrophobicContact CG-CE1 4.36Å; L323-I399 HydrophobicContact CD1-CG1 4.46Å
324	Y	98.7	Very high	98	Very high	1 Å²	1	22.4 Å²	22.4	0%	0.004	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	155.2	-177.2	46.6	-89.6	0	0	0	112.4	V326 L359 L362 R366 K379 S380 F381	Y324-V326 HydrophobicContact CD2-CG1 4.09Å; Y324-V326 HydrophobicContact CE2-CG1 4.2Å; Y324-L359 HydrophobicContact CD2-CD1 4.36Å; Y324-L359 HydrophobicContact CE2-CD1 4.07Å; Y324-L362 HydrophobicContact CD1-CB 4.45Å; Y324-L362 HydrophobicContact CD2-CB 3.95Å; Y324-L362 HydrophobicContact CG-CB 3.79Å; Y324-R366 PolarHBondContact OH-NE 3.22Å; Y324-R366 PolarHBondContact OH-NH2 3.19Å; Y324-K379 PolarHBondContact N-O 3.17Å; Y324-S380 CarbonylContact O-C 3.53Å; Y324-S380 VanDerWaalsContact O-CA 3.3Å; Y324-S380 WeakPolarHBondContact O-CA 3.45Å; Y324-F381 PolarHBondContact O-N 3.28Å
325	G	98.5	Very high	98.1	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	153.5	172.4	0	0	0	0	0	113.1	L362 F381 A384	G325-L362 WeakPolarHBondContact O-CD1 3.26Å; G325-F381 WeakPolarHBondContact CA-O 3.42Å; G325-A384 WeakPolarHBondContact CA-O 3.47Å
326	V	98.6	Very high	98.2	Very high	13 Å²	13	19.6 Å²	19.6	8%	0.079	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	169.6	169.5	-60.3	0	0	0	0	109.2	Y324 V328 G353 L359 F381 P382 N383	Y324-V326 HydrophobicContact CD2-CG1 4.09Å; Y324-V326 HydrophobicContact CE2-CG1 4.2Å; V326-V328 VanDerWaalsContact C-N 3.25Å; V326-V328 PolarHBondContact O-N 3.42Å; V326-G353 CarbonylContact C-O 3.49Å; V326-G353 WeakPolarHBondContact CA-O 3.3Å; V326-L359 HydrophobicContact CG1-CD1 3.85Å; V326-F381 PolarHBondContact N-O 2.9Å; V326-P382 HydrophobicContact CG2-CB 4.42Å; V326-P382 HydrophobicContact CG2-CG 4.22Å; V326-N383 PolarHBondContact O-N 3.2Å
327	D	98.2	Very high	98.1	Very high	93 Å²	93	28 Å²	28	50%	0.497	14%	0.143	S	C	.	.	S	Bend	trans	64.7	22.5	179.6	-53.5	-49.4	0	0	0	114.3	D352	D327-D352 VanDerWaalsContact CA-OD1 3.31Å; D327-D352 WeakPolarHBondContact CA-OD1 3.3Å; D327-D352 PolarHBondContact N-OD1 3.15Å
328	V	97.9	Very high	97.9	Very high	24 Å²	24	34 Å²	34	15%	0.145	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-109.1	120.9	174	-172.5	0	0	0	0	109.7	V326 T330 G353	V326-V328 VanDerWaalsContact C-N 3.25Å; V326-V328 PolarHBondContact O-N 3.42Å; V328-T330 PolarHBondContact O-N 3.26Å; V328-T330 PolarHBondContact O-OG1 3.01Å; V328-G353 WeakPolarHBondContact CB-O 3.46Å; V328-G353 PolarHBondContact N-O 3.04Å; V328-G353 VanDerWaalsContact N-O 3.11Å; V328-G353 CarbonylContact O-C 3.49Å; V328-G353 PolarHBondContact O-N 2.78Å
329	P	97.7	Very high	97.7	Very high	82 Å²	82	40.2 Å²	40.2	53%	0.532	20%	0.2	S	C	.	.			trans	-55.6	109.8	-177.7	-28.1	35.3	0	0	0	113	K350	P329-K350 HydrophobicContact CB-CB 4.18Å; P329-K350 HydrophobicContact CB-CD 3.59Å
330	T	97.7	Very high	97.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	133.6	-171.7	-56.6	0	0	0	0	110.6	V328 E332 K350 G351 G353 D354 G355	V328-T330 PolarHBondContact O-N 3.26Å; V328-T330 PolarHBondContact O-OG1 3.01Å; T330-E332 PolarHBondContact O-N 2.82Å; T330-K350 CarbonylContact O-C 3.55Å; T330-K350 VanDerWaalsContact O-CA 3.24Å; T330-K350 WeakPolarHBondContact O-CA 3.32Å; T330-G351 PolarHBondContact N-O 3.26Å; T330-G351 PolarHBondContact O-N 3.3Å; T330-G353 VanDerWaalsContact OG1-C 3.27Å; T330-G353 WeakPolarHBondContact OG1-CA 3.48Å; T330-G353 PolarHBondContact OG1-N 3.26Å; T330-D354 PolarHBondContact OG1-N 3.16Å; T330-G355 WeakPolarHBondContact OG1-CA 3.42Å; T330-G355 PolarHBondContact OG1-N 3.49Å
331	P	96.6	Very high	97.5	Very high	4 Å²	4	41.2 Å²	41.2	3%	0.026	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	126.7	-179.7	-23.3	34.2	0	0	0	112	M224 L334 E348 N358	M224-P331 WeakPolarHBondContact CB-O 3.42Å; P331-L334 HydrophobicContact CB-CD2 4.5Å; P331-E348 HydrophobicContact CB-CB 4.27Å; P331-E348 HydrophobicContact CB-CG 4.24Å; P331-E348 HydrophobicContact CG-CB 4.46Å; P331-E348 HydrophobicContact CG-CG 4.3Å; P331-E348 WeakPolarHBondContact CG-OE2 3.45Å; P331-N358 PolarHBondContact O-ND2 3.49Å
332	E	97.3	Very high	97.4	Very high	55 Å²	55	41.5 Å²	41.5	26%	0.257	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	-36	175.2	-77.6	-162.1	144.8	0	0	112.6	M224 T330 V349 N358 R360	M224-E332 WeakPolarHBondContact CE-O 3.39Å; M224-E332 WeakPolarHBondContact CG-O 3.39Å; T330-E332 PolarHBondContact O-N 2.82Å; E332-V349 PolarHBondContact N-O 3.42Å; E332-N358 WeakPolarHBondContact CG-ND2 3.49Å; E332-R360 IonicContact OE1-NH2 3.91Å
333	T	98.2	Very high	97.3	Very high	26 Å²	26	45.6 Å²	45.6	16%	0.16	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	138.4	177.1	-55.7	0	0	0	0	110.1	V273 L274 M276 V335 V349	V273-T333 HydrophobicContact CG1-CG2 4.38Å; V273-T333 WeakPolarHBondContact O-CG2 3.48Å; V273-T333 PolarHBondContact O-OG1 3.18Å; L274-T333 WeakPolarHBondContact O-CA 3.35Å; M276-T333 HydrophobicContact CG-CG2 3.9Å; M276-T333 HydrophobicContact SD-CG2 4.01Å; T333-V335 HydrophobicContact CG2-CG2 4.34Å; T333-V349 PolarHBondContact N-O 3.28Å; T333-V349 PolarHBondContact O-N 3.21Å
334	L	98.3	Very high	97.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	115.6	176.5	-52.5	179.2	0	0	0	110	M224 V227 K228 L274 V275 M276 P331 Y336 P346 E348	M224-L334 HydrophobicContact CE-CD1 4.33Å; M224-L334 HydrophobicContact CE-CG 3.89Å; V227-L334 HydrophobicContact CB-CD1 4.26Å; V227-L334 HydrophobicContact CG1-CD1 4.08Å; K228-L334 HydrophobicContact CB-CD1 3.59Å; K228-L334 HydrophobicContact CB-CD2 4.18Å; K228-L334 HydrophobicContact CD-CD2 4.47Å; K228-L334 HydrophobicContact CG-CD1 4.4Å; L274-L334 PolarHBondContact O-N 2.94Å; V275-L334 CarbonylContact C-O 3.51Å; V275-L334 WeakPolarHBondContact CA-O 3.48Å; V275-L334 HydrophobicContact CG2-CB 4.33Å; V275-L334 HydrophobicContact CG2-CD1 4.27Å; M276-L334 PolarHBondContact N-O 3.29Å; P331-L334 HydrophobicContact CB-CD2 4.5Å; L334-Y336 HydrophobicContact CB-CD2 4.47Å; L334-Y336 HydrophobicContact CB-CE2 3.94Å; L334-P346 HydrophobicContact CB-CB 4Å; L334-P346 HydrophobicContact CB-CG 4.08Å; L334-P346 HydrophobicContact CD2-CG 3.98Å; L334-P346 HydrophobicContact CG-CG 4.43Å; L334-E348 HydrophobicContact CD2-CG 4.04Å
335	V	98.5	Very high	96.9	Very high	38 Å²	38	55.7 Å²	55.7	23%	0.23	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	111.9	-179.3	-175.2	0	0	0	0	109.9	M276 T333 I347 V349	M276-V335 HydrophobicContact CB-CG1 4.43Å; M276-V335 HydrophobicContact CB-CG2 4.31Å; M276-V335 HydrophobicContact SD-CG2 4.07Å; T333-V335 HydrophobicContact CG2-CG2 4.34Å; V335-I347 HydrophobicContact CB-CB 4.32Å; V335-I347 PolarHBondContact N-O 3.03Å; V335-I347 PolarHBondContact O-N 3.01Å; V335-V349 HydrophobicContact CG2-CG2 3.87Å
336	Y	98.3	Very high	96.8	Very high	5 Å²	5	56.5 Å²	56.5	2%	0.02	28%	0.28	C	S	.	.			trans	-96.7	127.9	174.2	-71	-99.9	0	0	0	110	A231 S232 V275 M276 L334 F341 K344 P346	A231-Y336 VanDerWaalsContact CB-OH 3.27Å; A231-Y336 WeakPolarHBondContact CB-OH 3.22Å; S232-Y336 WeakPolarHBondContact CB-OH 3.36Å; S232-Y336 PolarHBondContact OG-OH 3.13Å; V275-Y336 HydrophobicContact CG1-CD2 3.8Å; V275-Y336 HydrophobicContact CG1-CE2 3.9Å; M276-Y336 PolarHBondContact O-N 2.75Å; L334-Y336 HydrophobicContact CB-CD2 4.47Å; L334-Y336 HydrophobicContact CB-CE2 3.94Å; Y336-F341 HydrophobicContact CD1-CB 3.89Å; Y336-F341 AromaticContact CD1-CD2 3.88Å; Y336-F341 HydrophobicContact CD1-CD2 3.88Å; Y336-F341 HydrophobicContact CD1-CG 4.4Å; Y336-F341 AromaticContact CD2-CD2 3.59Å; Y336-F341 HydrophobicContact CD2-CD2 3.59Å; Y336-F341 HydrophobicContact CD2-CE2 4.29Å; Y336-F341 AromaticContact CE1-CD2 3.95Å; Y336-F341 HydrophobicContact CE1-CD2 3.95Å; Y336-F341 AromaticContact CE2-CD2 3.7Å; Y336-F341 HydrophobicContact CE2-CD2 3.7Å; Y336-F341 HydrophobicContact CE2-CE2 4.09Å; Y336-F341 HydrophobicContact CG-CB 3.85Å; Y336-F341 AromaticContact CG-CD2 3.7Å; Y336-F341 HydrophobicContact CG-CD2 3.7Å; Y336-F341 HydrophobicContact CG-CG 4.26Å; Y336-F341 AromaticContact CZ-CD2 3.91Å; Y336-K344 WeakPolarHBondContact CE1-O 3.24Å; Y336-P346 HydrophobicContact CD1-CB 4.3Å; Y336-P346 HydrophobicContact CD2-CB 3.88Å; Y336-P346 HydrophobicContact CE1-CB 4.1Å; Y336-P346 HydrophobicContact CE1-CG 4.44Å; Y336-P346 HydrophobicContact CE2-CB 3.62Å; Y336-P346 HydrophobicContact CE2-CG 4.05Å; Y336-P346 HydrophobicContact CG-CB 4.21Å
337	R	95.9	Very high	96.7	Very high	176 Å²	176	59.7 Å²	59.7	66%	0.664	30%	0.296	S	S	*	.			trans	-68.7	170.2	173.2	-65.8	-179.6	179.2	152.1	-0.4	110.8	N339 T340	R337-N339 PolarHBondContact O-N 2.95Å; R337-T340 HydrophobicContact CB-CG2 3.9Å; R337-T340 PolarHBondContact N-OG1 3.39Å; R337-T340 PolarHBondContact O-N 3.1Å; R337-T340 VanDerWaalsContact O-N 3.08Å; R337-T340 PolarHBondContact O-OG1 3.06Å
338	K	95.3	Very high	96.6	Very high	138 Å²	138	57.6 Å²	57.6	60%	0.6	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.5	128	172.1	170.9	150	-163.2	145.9	0	112	E278 T340	E278-K338 WeakPolarHBondContact OE1-CD 3.5Å; E278-K338 WeakPolarHBondContact OE1-CE 3.45Å; E278-K338 IonicContact OE1-NZ 3.34Å; E278-K338 PolarHBondContact OE1-NZ 3.12Å; E278-K338 WeakPolarHBondContact OE2-CA 3.48Å; E278-K338 WeakPolarHBondContact OE2-CG 3.29Å; K338-T340 WeakPolarHBondContact O-CG2 3.48Å; K338-T340 PolarHBondContact O-N 2.99Å
339	N	92.9	Very high	96.7	Very high	135 Å²	135	59.9 Å²	59.9	72%	0.722	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	26.6	-179.8	-58.7	-38.7	0	0	0	115.7	R337	R337-N339 PolarHBondContact O-N 2.95Å
340	T	95.9	Very high	96.7	Very high	22 Å²	22	61.6 Å²	61.6	14%	0.135	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-21.5	178.1	72.3	0	0	0	0	114.8	R337 K338 N343 K344	R337-T340 HydrophobicContact CB-CG2 3.9Å; R337-T340 PolarHBondContact N-OG1 3.39Å; R337-T340 PolarHBondContact O-N 3.1Å; R337-T340 VanDerWaalsContact O-N 3.08Å; R337-T340 PolarHBondContact O-OG1 3.06Å; K338-T340 WeakPolarHBondContact O-CG2 3.48Å; K338-T340 PolarHBondContact O-N 2.99Å; T340-N343 PolarHBondContact O-N 2.99Å; T340-N343 VanDerWaalsContact O-N 3.1Å; T340-K344 HydrophobicContact CG2-CD 3.93Å; T340-K344 PolarHBondContact O-N 3.34Å
341	F	97.1	Very high	96.7	Very high	44 Å²	44	62.6 Å²	62.6	19%	0.193	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	136.1	179.1	-176.3	-105.6	0	0	0	111.5	A231 V275 T277 Y282 F290 D293 I294 Y336	A231-F341 HydrophobicContact CB-CE2 4.14Å; V275-F341 HydrophobicContact CG1-CD2 4.29Å; V275-F341 HydrophobicContact CG1-CE2 3.87Å; T277-F341 HydrophobicContact CG2-CB 3.88Å; T277-F341 HydrophobicContact CG2-CD1 3.92Å; T277-F341 HydrophobicContact CG2-CD2 3.83Å; T277-F341 HydrophobicContact CG2-CE1 4.36Å; T277-F341 HydrophobicContact CG2-CE2 4.28Å; T277-F341 HydrophobicContact CG2-CG 3.61Å; T277-F341 HydrophobicContact CG2-CZ 4.5Å; Y282-F341 HydrophobicContact CE2-CE1 4.19Å; Y282-F341 HydrophobicContact CE2-CZ 4.08Å; F290-F341 HydrophobicContact CD2-CZ 4.08Å; F290-F341 HydrophobicContact CE2-CE2 4.16Å; F290-F341 AromaticContact CE2-CZ 3.96Å; F290-F341 HydrophobicContact CE2-CZ 3.96Å; D293-F341 HydrophobicContact CB-CE1 4.18Å; I294-F341 HydrophobicContact CG2-CE1 3.87Å; I294-F341 HydrophobicContact CG2-CE2 3.95Å; I294-F341 HydrophobicContact CG2-CZ 3.29Å; Y336-F341 HydrophobicContact CD1-CB 3.89Å; Y336-F341 AromaticContact CD1-CD2 3.88Å; Y336-F341 HydrophobicContact CD1-CD2 3.88Å; Y336-F341 HydrophobicContact CD1-CG 4.4Å; Y336-F341 AromaticContact CD2-CD2 3.59Å; Y336-F341 HydrophobicContact CD2-CD2 3.59Å; Y336-F341 HydrophobicContact CD2-CE2 4.29Å; Y336-F341 AromaticContact CE1-CD2 3.95Å; Y336-F341 HydrophobicContact CE1-CD2 3.95Å; Y336-F341 AromaticContact CE2-CD2 3.7Å; Y336-F341 HydrophobicContact CE2-CD2 3.7Å; Y336-F341 HydrophobicContact CE2-CE2 4.09Å; Y336-F341 HydrophobicContact CG-CB 3.85Å; Y336-F341 AromaticContact CG-CD2 3.7Å; Y336-F341 HydrophobicContact CG-CD2 3.7Å; Y336-F341 HydrophobicContact CG-CG 4.26Å; Y336-F341 AromaticContact CZ-CD2 3.91Å
342	P	96.4	Very high	96.8	Very high	14 Å²	14	64.8 Å²	64.8	9%	0.091	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	cis	-97	8.1	-6.9	40.7	-40.2	0	0	0	113.7	S232 R249 I294	S232-P342 WeakPolarHBondContact CA-O 3.25Å; S232-P342 VanDerWaalsContact CB-O 3.27Å; S232-P342 WeakPolarHBondContact CB-O 3.41Å; R249-P342 PolarHBondContact NH1-O 3.02Å; I294-P342 HydrophobicContact CB-CB 4.14Å; I294-P342 HydrophobicContact CB-CG 4.26Å; I294-P342 HydrophobicContact CG2-CB 3.89Å; I294-P342 HydrophobicContact CG2-CG 4.47Å
343	N	95.8	Very high	96.8	Very high	88 Å²	88	62.1 Å²	62.1	47%	0.471	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	12.2	-163.3	-65.2	-39.2	0	0	0	115.6	R249 T340	R249-N343 PolarHBondContact NH1-OD1 3.36Å; R249-N343 PolarHBondContact NH2-OD1 2.88Å; T340-N343 PolarHBondContact O-N 2.99Å; T340-N343 VanDerWaalsContact O-N 3.1Å
344	K	95.2	Very high	96.8	Very high	132 Å²	132	60.9 Å²	60.9	57%	0.574	30%	0.298	S	S	*	.	S	Bend	trans	-129	163.8	166.3	-54	-169.9	177.6	-179.4	0	110	S232 Y336 T340	S232-K344 WeakPolarHBondContact CB-O 3.44Å; Y336-K344 WeakPolarHBondContact CE1-O 3.24Å; T340-K344 HydrophobicContact CG2-CD 3.93Å; T340-K344 PolarHBondContact O-N 3.34Å
345	Q	94.6	Very high	96.7	Very high	81 Å²	81	61.2 Å²	61.2	38%	0.379	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-69.9	137.5	178.4	-65.2	-62.9	-53.7	0	0	111	S232 G233 P245	S232-Q345 PolarHBondContact O-NE2 2.92Å; G233-Q345 PolarHBondContact O-NE2 2.72Å; P245-Q345 VanDerWaalsContact CB-NE2 3.3Å
346	P	96.6	Very high	96.6	Very high	16 Å²	16	60.3 Å²	60.3	10%	0.104	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-77.5	165.3	177.8	31.8	-34	0	0	0	111.8	K228 S232 L334 Y336	K228-P346 HydrophobicContact CD-CG 4.44Å; S232-P346 WeakPolarHBondContact OG-CD 3.03Å; L334-P346 HydrophobicContact CB-CB 4Å; L334-P346 HydrophobicContact CB-CG 4.08Å; L334-P346 HydrophobicContact CD2-CG 3.98Å; L334-P346 HydrophobicContact CG-CG 4.43Å; Y336-P346 HydrophobicContact CD1-CB 4.3Å; Y336-P346 HydrophobicContact CD2-CB 3.88Å; Y336-P346 HydrophobicContact CE1-CB 4.1Å; Y336-P346 HydrophobicContact CE1-CG 4.44Å; Y336-P346 HydrophobicContact CE2-CB 3.62Å; Y336-P346 HydrophobicContact CE2-CG 4.05Å; Y336-P346 HydrophobicContact CG-CB 4.21Å
347	I	96.9	Very high	96.6	Very high	81 Å²	81	60.1 Å²	60.1	42%	0.415	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	128.1	156	-60.5	165.5	0	0	0	106.9	V335	V335-I347 HydrophobicContact CB-CB 4.32Å; V335-I347 PolarHBondContact N-O 3.03Å; V335-I347 PolarHBondContact O-N 3.01Å
348	E	96.5	Very high	96.7	Very high	48 Å²	48	51.8 Å²	51.8	22%	0.224	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	114.7	175.9	-65.1	173.5	177.2	0	0	109.1	K228 P331 L334 K350	K228-E348 VanDerWaalsContact CD-OE1 3.25Å; K228-E348 WeakPolarHBondContact CD-OE1 3.16Å; K228-E348 WeakPolarHBondContact CE-OE1 3.2Å; K228-E348 IonicContact NZ-OE1 2.69Å; K228-E348 PolarHBondContact NZ-OE1 3.23Å; P331-E348 HydrophobicContact CB-CB 4.27Å; P331-E348 HydrophobicContact CB-CG 4.24Å; P331-E348 HydrophobicContact CG-CB 4.46Å; P331-E348 HydrophobicContact CG-CG 4.3Å; P331-E348 WeakPolarHBondContact CG-OE2 3.45Å; L334-E348 HydrophobicContact CD2-CG 4.04Å; E348-K350 HydrophobicContact CB-CG 4.31Å; E348-K350 PolarHBondContact O-N 3.29Å
349	V	98	Very high	96.9	Very high	73 Å²	73	47.6 Å²	47.6	44%	0.442	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	121.4	162.5	179.9	0	0	0	0	106.3	E332 T333 V335	E332-V349 PolarHBondContact N-O 3.42Å; T333-V349 PolarHBondContact N-O 3.28Å; T333-V349 PolarHBondContact O-N 3.21Å; V335-V349 HydrophobicContact CG2-CG2 3.87Å
350	K	97.8	Very high	97.1	Very high	117 Å²	117	45 Å²	45	51%	0.509	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	136.2	-173.1	-60.1	-171.6	178.5	-167.7	0	110.7	P329 T330 E348	P329-K350 HydrophobicContact CB-CB 4.18Å; P329-K350 HydrophobicContact CB-CD 3.59Å; T330-K350 CarbonylContact O-C 3.55Å; T330-K350 VanDerWaalsContact O-CA 3.24Å; T330-K350 WeakPolarHBondContact O-CA 3.32Å; E348-K350 HydrophobicContact CB-CG 4.31Å; E348-K350 PolarHBondContact O-N 3.29Å
351	G	98.1	Very high	97.2	Very high	22 Å²	22	44 Å²	44	23%	0.227	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	-155	166.5	0	0	0	0	0	110.6	T330	T330-G351 PolarHBondContact N-O 3.26Å; T330-G351 PolarHBondContact O-N 3.3Å
352	D	98.4	Very high	97.3	Very high	49 Å²	49	41.9 Å²	41.9	26%	0.262	21%	0.212	S	C	.	.	S	Bend	trans	-88.7	150.6	-176.7	-167.2	19.6	0	0	0	112.9	D327 L359	D327-D352 VanDerWaalsContact CA-OD1 3.31Å; D327-D352 WeakPolarHBondContact CA-OD1 3.3Å; D327-D352 PolarHBondContact N-OD1 3.15Å; D352-L359 HydrophobicContact CB-CB 4.27Å; D352-L359 HydrophobicContact CB-CD2 4.38Å; D352-L359 PolarHBondContact O-N 3.48Å; D352-L359 WeakPolarHBondContact OD2-CD2 3.41Å
353	G	98.5	Very high	97.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	163.1	-151.5	-179.1	0	0	0	0	0	111.5	V326 V328 T330 V357	V326-G353 CarbonylContact C-O 3.49Å; V326-G353 WeakPolarHBondContact CA-O 3.3Å; V328-G353 WeakPolarHBondContact CB-O 3.46Å; V328-G353 PolarHBondContact N-O 3.04Å; V328-G353 VanDerWaalsContact N-O 3.11Å; V328-G353 CarbonylContact O-C 3.49Å; V328-G353 PolarHBondContact O-N 2.78Å; T330-G353 VanDerWaalsContact OG1-C 3.27Å; T330-G353 WeakPolarHBondContact OG1-CA 3.48Å; T330-G353 PolarHBondContact OG1-N 3.26Å; G353-V357 VanDerWaalsContact CA-O 3.27Å; G353-V357 WeakPolarHBondContact CA-O 3.5Å
354	D	98	Very high	97.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-112	15.5	-179.8	66.7	12.4	0	0	0	113.5	T330 T356 V357 L362 E385 H386	T330-D354 PolarHBondContact OG1-N 3.16Å; D354-T356 VanDerWaalsContact C-N 3.32Å; D354-T356 PolarHBondContact OD1-N 2.89Å; D354-T356 VanDerWaalsContact OD1-N 3.07Å; D354-V357 PolarHBondContact N-O 2.79Å; D354-V357 PolarHBondContact OD1-N 2.83Å; D354-L362 HydrophobicContact CB-CD1 3.99Å; D354-L362 WeakPolarHBondContact OD2-CD2 3.5Å; D354-E385 CarbonylContact O-C 3.43Å; D354-E385 WeakPolarHBondContact O-CA 3.37Å; D354-H386 HydrophobicContact CB-CB 4.3Å; D354-H386 VanDerWaalsContact CG-ND1 3.31Å; D354-H386 PolarHBondContact O-N 2.69Å; D354-H386 IonicContact OD1-CG 2.83Å; D354-H386 IonicContact OD1-ND1 3.62Å; D354-H386 PolarHBondContact OD1-ND1 2.97Å; D354-H386 IonicContact OD2-CE1 3.53Å; D354-H386 IonicContact OD2-CG 3.74Å; D354-H386 IonicContact OD2-ND1 3.16Å; D354-H386 PolarHBondContact OD2-ND1 3.44Å
355	G	96	Very high	97.6	Very high	7 Å²	7	32.3 Å²	32.3	7%	0.072	17%	0.17	C	C	.	.	S	Bend	trans	95	-25.1	-176.6	0	0	0	0	0	113.3	T330	T330-G355 WeakPolarHBondContact OG1-CA 3.42Å; T330-G355 PolarHBondContact OG1-N 3.49Å
356	T	96.5	Very high	97.7	Very high	19 Å²	19	33.3 Å²	33.3	12%	0.117	17%	0.17	C	C	.	.	S	Bend	trans	-119.1	-44.8	178.5	-77	0	0	0	0	112.7	S223 K225 E237 D354	S223-T356 PolarHBondContact OG-O 2.94Å; K225-T356 HydrophobicContact CD-CG2 3.88Å; E237-T356 PolarHBondContact OE2-OG1 2.84Å; D354-T356 VanDerWaalsContact C-N 3.32Å; D354-T356 PolarHBondContact OD1-N 2.89Å; D354-T356 VanDerWaalsContact OD1-N 3.07Å
357	V	98.3	Very high	97.7	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	18%	0.177	C	C	.	.	S	Bend	trans	-111.6	128.6	-175.2	-172.7	0	0	0	0	109.5	P219 G353 D354 L362 H386	P219-V357 HydrophobicContact CB-CG1 3.78Å; P219-V357 HydrophobicContact CB-CG2 3.87Å; G353-V357 VanDerWaalsContact CA-O 3.27Å; G353-V357 WeakPolarHBondContact CA-O 3.5Å; D354-V357 PolarHBondContact N-O 2.79Å; D354-V357 PolarHBondContact OD1-N 2.83Å; V357-L362 HydrophobicContact CB-CD1 4.29Å; V357-L362 HydrophobicContact CB-CD2 3.78Å; V357-L362 HydrophobicContact CB-CG 3.86Å; V357-L362 HydrophobicContact CG1-CD2 3.7Å; V357-L362 HydrophobicContact CG1-CG 3.63Å; V357-L362 HydrophobicContact CG2-CD2 4.49Å; V357-L362 VanDerWaalsContact O-CD1 3.26Å; V357-L362 WeakPolarHBondContact O-CD1 3.22Å; V357-H386 WeakPolarHBondContact CG2-CE1 3.49Å
358	N	98.6	Very high	97.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-65.5	144.3	-180	-53.6	85.9	0	0	0	111.1	M224 W268 P331 E332 R360 S361 L362	M224-N358 PolarHBondContact N-OD1 3.32Å; W268-N358 HydrophobicContact CH2-CB 4.01Å; W268-N358 HydrophobicContact CZ2-CB 3.76Å; W268-N358 WeakPolarHBondContact CZ2-OD1 3.38Å; P331-N358 PolarHBondContact O-ND2 3.49Å; E332-N358 WeakPolarHBondContact CG-ND2 3.49Å; N358-R360 HydrophobicContact CB-CG 4.13Å; N358-R360 PolarHBondContact O-N 3.3Å; N358-R360 VanDerWaalsContact O-N 3.12Å; N358-S361 WeakPolarHBondContact O-CA 3.46Å; N358-S361 WeakPolarHBondContact O-CB 3.42Å; N358-S361 PolarHBondContact O-N 2.87Å; N358-L362 PolarHBondContact O-N 2.87Å
359	L	98.6	Very high	97.8	Very high	51 Å²	51	31.5 Å²	31.5	27%	0.267	17%	0.168	S	C	.	.	H	α-helix	trans	-51	-41	179.6	172	61.3	0	0	0	112.9	Y324 V326 D352 S361 L362 S363	Y324-L359 HydrophobicContact CD2-CD1 4.36Å; Y324-L359 HydrophobicContact CE2-CD1 4.07Å; V326-L359 HydrophobicContact CG1-CD1 3.85Å; D352-L359 HydrophobicContact CB-CB 4.27Å; D352-L359 HydrophobicContact CB-CD2 4.38Å; D352-L359 PolarHBondContact O-N 3.48Å; D352-L359 WeakPolarHBondContact OD2-CD2 3.41Å; L359-S361 PolarHBondContact O-N 2.95Å; L359-L362 PolarHBondContact O-N 3.09Å; L359-S363 WeakPolarHBondContact O-CB 3.48Å; L359-S363 PolarHBondContact O-N 2.83Å; L359-S363 PolarHBondContact O-OG 3.39Å
360	R	98	Very high	97.6	Very high	80 Å²	80	33.9 Å²	33.9	30%	0.302	18%	0.182	S	C	.	.	H	α-helix	trans	-59.8	-30.5	179.1	65.1	178.3	78.6	-174.7	4.5	113.4	I267 W268 D272 E332 N358	I267-R360 HydrophobicContact CG2-CB 3.94Å; I267-R360 HydrophobicContact CG2-CG 3.7Å; I267-R360 WeakPolarHBondContact CG2-O 3.36Å; W268-R360 HydrophobicContact CH2-CG 3.95Å; W268-R360 HydrophobicContact CZ2-CG 3.93Å; W268-R360 HydrophobicContact CZ3-CG 4.26Å; D272-R360 IonicContact OD1-CZ 3.6Å; D272-R360 IonicContact OD1-NH1 3.35Å; D272-R360 PolarHBondContact OD1-NH1 2.92Å; D272-R360 IonicContact OD1-NH2 3.76Å; D272-R360 IonicContact OD2-NH1 3.63Å; D272-R360 PolarHBondContact OD2-NH1 3.37Å; E332-R360 IonicContact OE1-NH2 3.91Å; N358-R360 HydrophobicContact CB-CG 4.13Å; N358-R360 PolarHBondContact O-N 3.3Å; N358-R360 VanDerWaalsContact O-N 3.12Å
361	S	98.5	Very high	97.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-83.1	-45.9	176.3	-178.6	0	0	0	0	111.3	P219 Y220 G221 G222 N358 L359 S363 A364	P219-S361 WeakPolarHBondContact CA-OG 3.45Å; Y220-S361 PolarHBondContact N-OG 3.36Å; G221-S361 WeakPolarHBondContact CA-OG 3.3Å; G221-S361 PolarHBondContact N-OG 3.47Å; G222-S361 PolarHBondContact N-OG 2.93Å; G222-S361 VanDerWaalsContact O-CB 3.23Å; G222-S361 WeakPolarHBondContact O-CB 3.27Å; G222-S361 PolarHBondContact O-OG 3.32Å; N358-S361 WeakPolarHBondContact O-CA 3.46Å; N358-S361 WeakPolarHBondContact O-CB 3.42Å; N358-S361 PolarHBondContact O-N 2.87Å; L359-S361 PolarHBondContact O-N 2.95Å; S361-S363 VanDerWaalsContact C-N 3.32Å; S361-S363 PolarHBondContact O-N 3.25Å; S361-A364 WeakPolarHBondContact O-CB 3.18Å; S361-A364 PolarHBondContact O-N 2.86Å
362	L	98.6	Very high	97.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-57.1	-44	177.5	-71.8	170.9	0	0	0	112.9	A217 Y324 G325 D354 V357 N358 L359 A364	A217-L362 HydrophobicContact CB-CD2 4.33Å; Y324-L362 HydrophobicContact CD1-CB 4.45Å; Y324-L362 HydrophobicContact CD2-CB 3.95Å; Y324-L362 HydrophobicContact CG-CB 3.79Å; G325-L362 WeakPolarHBondContact O-CD1 3.26Å; D354-L362 HydrophobicContact CB-CD1 3.99Å; D354-L362 WeakPolarHBondContact OD2-CD2 3.5Å; V357-L362 HydrophobicContact CB-CD1 4.29Å; V357-L362 HydrophobicContact CB-CD2 3.78Å; V357-L362 HydrophobicContact CB-CG 3.86Å; V357-L362 HydrophobicContact CG1-CD2 3.7Å; V357-L362 HydrophobicContact CG1-CG 3.63Å; V357-L362 HydrophobicContact CG2-CD2 4.49Å; V357-L362 VanDerWaalsContact O-CD1 3.26Å; V357-L362 WeakPolarHBondContact O-CD1 3.22Å; N358-L362 PolarHBondContact O-N 2.87Å; L359-L362 PolarHBondContact O-N 3.09Å; L362-A364 VanDerWaalsContact C-N 3.34Å
363	S	98.2	Very high	97.3	Very high	23 Å²	23	41.4 Å²	41.4	16%	0.161	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-84.8	-2.8	-175.9	63.8	0	0	0	0	114.3	L359 S361 C365 R366	L359-S363 WeakPolarHBondContact O-CB 3.48Å; L359-S363 PolarHBondContact O-N 2.83Å; L359-S363 PolarHBondContact O-OG 3.39Å; S361-S363 VanDerWaalsContact C-N 3.32Å; S361-S363 PolarHBondContact O-N 3.25Å; S363-C365 PolarHBondContact O-N 2.97Å; S363-C365 VanDerWaalsContact O-N 3.12Å; S363-R366 VanDerWaalsContact O-CB 3.26Å; S363-R366 WeakPolarHBondContact O-CB 3.41Å; S363-R366 WeakPolarHBondContact O-CG 3.39Å; S363-R366 PolarHBondContact O-N 2.67Å
364	A	97.7	Very high	97.2	Very high	10 Å²	10	45.4 Å²	45.4	8%	0.083	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-61.4	-26.9	-174.1	0	0	0	0	0	113.4	I267 L313 S361 L362 R366 Q367	I267-A364 HydrophobicContact CD1-CB 3.72Å; I267-A364 HydrophobicContact CG1-CB 4.41Å; L313-A364 HydrophobicContact CD2-CB 3.55Å; S361-A364 WeakPolarHBondContact O-CB 3.18Å; S361-A364 PolarHBondContact O-N 2.86Å; L362-A364 VanDerWaalsContact C-N 3.34Å; A364-R366 PolarHBondContact O-N 3.15Å; A364-R366 VanDerWaalsContact O-N 3.13Å; A364-Q367 WeakPolarHBondContact O-CG 3.43Å; A364-Q367 PolarHBondContact O-N 2.94Å
365	C	97.7	Very high	97.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-55.5	-24.8	171.5	55.6	0	0	0	0	114.5	Y220 C322 S363 Q367 W368	Y220-C365 HydrophobicContact CD2-CB 3.91Å; Y220-C365 HydrophobicContact CE2-CB 3.48Å; Y220-C365 VanDerWaalsContact CE2-CB 3.48Å; C322-C365 HydrophobicContact CB-CB 3.74Å; C322-C365 WeakPolarHBondContact CB-SG 3.26Å; C322-C365 WeakPolarHBondContact SG-CB 3.47Å; C322-C365 CovalentContact SG-SG 2.01Å; C322-C365 PolarHBondContact SG-SG 2.9Å; S363-C365 PolarHBondContact O-N 2.97Å; S363-C365 VanDerWaalsContact O-N 3.12Å; C365-Q367 PolarHBondContact O-N 2.96Å; C365-Q367 VanDerWaalsContact O-N 3.17Å; C365-W368 HydrophobicContact CB-CD2 4.43Å; C365-W368 HydrophobicContact CB-CE3 3.76Å; C365-W368 HydrophobicContact CB-CH2 4.44Å; C365-W368 HydrophobicContact CB-CZ3 3.77Å; C365-W368 VanDerWaalsContact O-CB 3.31Å; C365-W368 WeakPolarHBondContact O-CB 3.25Å; C365-W368 PolarHBondContact O-N 2.87Å
366	R	97.2	Very high	97.3	Very high	103 Å²	103	48.3 Å²	48.3	39%	0.389	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-57.2	-31.4	179.8	-69.1	177.7	-176.9	-169.9	0.6	111.7	Y324 S363 A364 W368 A369 Y378	Y324-R366 PolarHBondContact OH-NE 3.22Å; Y324-R366 PolarHBondContact OH-NH2 3.19Å; S363-R366 VanDerWaalsContact O-CB 3.26Å; S363-R366 WeakPolarHBondContact O-CB 3.41Å; S363-R366 WeakPolarHBondContact O-CG 3.39Å; S363-R366 PolarHBondContact O-N 2.67Å; A364-R366 PolarHBondContact O-N 3.15Å; A364-R366 VanDerWaalsContact O-N 3.13Å; R366-W368 PolarHBondContact O-N 2.69Å; R366-W368 VanDerWaalsContact O-N 3.13Å; R366-A369 WeakPolarHBondContact O-CB 3.43Å; R366-A369 PolarHBondContact O-N 2.97Å; R366-A369 VanDerWaalsContact O-N 3.12Å; R366-Y378 HydrophobicContact CB-CD1 4.45Å; R366-Y378 HydrophobicContact CG-CD1 3.89Å; R366-Y378 HydrophobicContact CG-CD2 4.06Å; R366-Y378 HydrophobicContact CG-CE1 4.23Å; R366-Y378 HydrophobicContact CG-CE2 4.4Å; R366-Y378 HydrophobicContact CG-CG 3.8Å
367	Q	96.2	Very high	97.4	Very high	53 Å²	53	52.6 Å²	52.6	25%	0.248	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-60.7	-23	178.2	81.3	-177.6	-12.2	0	0	112.9	L313 A364 C365 A369 T370 N371	L313-Q367 VanDerWaalsContact CD2-NE2 3.3Å; L313-Q367 PolarHBondContact O-NE2 3.13Å; A364-Q367 WeakPolarHBondContact O-CG 3.43Å; A364-Q367 PolarHBondContact O-N 2.94Å; C365-Q367 PolarHBondContact O-N 2.96Å; C365-Q367 VanDerWaalsContact O-N 3.17Å; Q367-A369 PolarHBondContact O-N 2.87Å; Q367-T370 PolarHBondContact O-OG1 3.07Å; Q367-N371 VanDerWaalsContact O-CG 3.24Å; Q367-N371 PolarHBondContact O-ND2 3.28Å
368	W	97.7	Very high	97.3	Very high	1 Å²	1	58.2 Å²	58.2	0%	0.004	28%	0.283	C	S	.	.	H	α-helix	trans	-71.4	-20.2	180	-60.3	-28.8	0	0	0	112.9	L195 Y220 L313 P315 P316 V320 C365 R366 T370 N371 Q372 V376	L195-W368 HydrophobicContact CD1-CH2 3.89Å; L195-W368 HydrophobicContact CD1-CZ2 3.83Å; L195-W368 HydrophobicContact CD2-CH2 3.96Å; L195-W368 HydrophobicContact CD2-CZ2 3.69Å; L195-W368 HydrophobicContact CG-CZ2 4.44Å; Y220-W368 AromaticContact CD1-CH2 3.97Å; Y220-W368 HydrophobicContact CD1-CH2 3.97Å; Y220-W368 HydrophobicContact CD1-CZ2 4.38Å; Y220-W368 AromaticContact CE1-CH2 3.38Å; Y220-W368 HydrophobicContact CE1-CH2 3.38Å; Y220-W368 HydrophobicContact CE1-CZ2 4.2Å; Y220-W368 HydrophobicContact CE1-CZ3 4.15Å; Y220-W368 HydrophobicContact CE2-CH2 4.23Å; Y220-W368 HydrophobicContact CE2-CZ3 4.35Å; Y220-W368 AromaticContact CZ-CH2 3.49Å; Y220-W368 VanDerWaalsContact CZ-CH2 3.49Å; Y220-W368 AromaticContact CZ-CZ3 3.77Å; L313-W368 HydrophobicContact CD1-CZ2 3.83Å; L313-W368 HydrophobicContact CG-CZ2 3.89Å; L313-W368 PolarHBondContact O-NE1 2.98Å; P315-W368 HydrophobicContact CB-CB 4.14Å; P315-W368 HydrophobicContact CB-CD2 4.47Å; P315-W368 HydrophobicContact CB-CG 3.83Å; P316-W368 HydrophobicContact CG-CE3 4.38Å; P316-W368 HydrophobicContact CG-CZ3 4.26Å; V320-W368 HydrophobicContact CG1-CE3 4.31Å; V320-W368 HydrophobicContact CG1-CZ3 4.21Å; V320-W368 HydrophobicContact CG2-CE3 4.3Å; V320-W368 HydrophobicContact CG2-CZ3 4.42Å; C365-W368 HydrophobicContact CB-CD2 4.43Å; C365-W368 HydrophobicContact CB-CE3 3.76Å; C365-W368 HydrophobicContact CB-CH2 4.44Å; C365-W368 HydrophobicContact CB-CZ3 3.77Å; C365-W368 VanDerWaalsContact O-CB 3.31Å; C365-W368 WeakPolarHBondContact O-CB 3.25Å; C365-W368 PolarHBondContact O-N 2.87Å; R366-W368 PolarHBondContact O-N 2.69Å; R366-W368 VanDerWaalsContact O-N 3.13Å; W368-T370 PolarHBondContact O-N 3.14Å; W368-T370 VanDerWaalsContact O-N 3.14Å; W368-N371 PolarHBondContact O-N 3.34Å; W368-Q372 HydrophobicContact CB-CG 4.27Å; W368-Q372 WeakPolarHBondContact O-CG 3.44Å; W368-Q372 PolarHBondContact O-N 3.13Å; W368-Q372 VanDerWaalsContact O-N 3.16Å; W368-V376 HydrophobicContact CB-CG1 4.45Å; W368-V376 HydrophobicContact CB-CG2 3.75Å
369	A	96.7	Very high	97.3	Very high	53 Å²	53	62.6 Å²	62.6	44%	0.438	30%	0.302	S	S	.	.	H	α-helix	trans	-57.7	-29.1	177.8	0	0	0	0	0	112.7	R366 Q367 V376	R366-A369 WeakPolarHBondContact O-CB 3.43Å; R366-A369 PolarHBondContact O-N 2.97Å; R366-A369 VanDerWaalsContact O-N 3.12Å; Q367-A369 PolarHBondContact O-N 2.87Å; A369-V376 HydrophobicContact CB-CB 4.14Å
370	T	95.2	Very high	97.3	Very high	122 Å²	122	62.5 Å²	62.5	75%	0.748	31%	0.306	S	S	*	.	H	α-helix	trans	-102	-9.8	176.3	56.2	0	0	0	0	113.7	Q367 W368	Q367-T370 PolarHBondContact O-OG1 3.07Å; W368-T370 PolarHBondContact O-N 3.14Å; W368-T370 VanDerWaalsContact O-N 3.14Å
371	N	93.6	Very high	97.3	Very high	97 Å²	97	59 Å²	59	52%	0.519	29%	0.293	S	S	.	.	H	α-helix	trans	-113.1	0.4	-168.1	-61.9	-0.7	0	0	0	113.7	P315 Q367 W368	P315-N371 HydrophobicContact CG-CB 4.44Å; P315-N371 WeakPolarHBondContact CG-O 3.32Å; Q367-N371 VanDerWaalsContact O-CG 3.24Å; Q367-N371 PolarHBondContact O-ND2 3.28Å; W368-N371 PolarHBondContact O-N 3.34Å
372	Q	96.4	Very high	97.3	Very high	29 Å²	29	62.7 Å²	62.7	14%	0.136	32%	0.317	C	S	.	.			trans	-140.5	159.8	170.9	55.9	164.3	31.5	0	0	112.5	P315 V318 W368 K374 V376	P315-Q372 HydrophobicContact CB-CB 3.77Å; P315-Q372 HydrophobicContact CB-CG 3.88Å; P315-Q372 HydrophobicContact CG-CB 4.02Å; V318-Q372 PolarHBondContact O-NE2 3.36Å; W368-Q372 HydrophobicContact CB-CG 4.27Å; W368-Q372 WeakPolarHBondContact O-CG 3.44Å; W368-Q372 PolarHBondContact O-N 3.13Å; W368-Q372 VanDerWaalsContact O-N 3.16Å; Q372-K374 PolarHBondContact NE2-O 2.89Å; Q372-V376 HydrophobicContact CG-CG2 4.12Å
373	K	96.3	Very high	97.3	Very high	221 Å²	221	68.4 Å²	68.4	96%	0.961	35%	0.348	S	S	*	.	S	Bend	trans	-73.6	-29.9	178.1	-63.4	-176.6	179.9	-178.9	0	113.6
374	K	97.1	Very high	97.2	Very high	83 Å²	83	67.4 Å²	67.4	36%	0.361	34%	0.341	S	S	.	.	S	Bend	trans	-80.3	144.5	-178.2	-68	-66.1	-174.2	-178.2	0	110	V318 Q372	V318-K374 VanDerWaalsContact C-CB 3.41Å; V318-K374 WeakPolarHBondContact O-CB 3.38Å; Q372-K374 PolarHBondContact NE2-O 2.89Å
375	P	97.4	Very high	97.2	Very high	53 Å²	53	69 Å²	69	34%	0.344	35%	0.347	S	S	.	.			trans	-63.7	148.3	-175.2	24.5	-32.1	0	0	0	112	E319 V320 Y377	E319-P375 WeakPolarHBondContact CA-O 3.49Å; E319-P375 HydrophobicContact CB-CG 4.15Å; E319-P375 HydrophobicContact CG-CG 3.9Å; V320-P375 PolarHBondContact N-O 3.44Å; P375-Y377 HydrophobicContact CB-CE2 3.84Å; P375-Y377 HydrophobicContact CG-CE2 4.07Å
376	V	98.4	Very high	97.1	Very high	16 Å²	16	69.7 Å²	69.7	10%	0.097	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	107.6	174.7	-178.1	0	0	0	0	107.6	V320 W368 A369 Q372	V320-V376 HydrophobicContact CB-CG1 4.32Å; V320-V376 HydrophobicContact CB-CG2 4.43Å; V320-V376 WeakPolarHBondContact O-CA 3.02Å; W368-V376 HydrophobicContact CB-CG1 4.45Å; W368-V376 HydrophobicContact CB-CG2 3.75Å; A369-V376 HydrophobicContact CB-CB 4.14Å; Q372-V376 HydrophobicContact CG-CG2 4.12Å
377	Y	98.1	Very high	97	Very high	109 Å²	109	67.8 Å²	67.8	43%	0.427	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	142.8	170.6	-54.7	-78.3	0	0	0	108.6	E319 V320 H321 C322 P375	E319-Y377 HydrophobicContact CG-CD2 4.42Å; E319-Y377 HydrophobicContact CG-CE2 4.17Å; E319-Y377 WeakPolarHBondContact OE1-CE2 3.37Å; V320-Y377 PolarHBondContact O-N 2.78Å; H321-Y377 CarbonylContact C-O 3.55Å; H321-Y377 WeakPolarHBondContact CA-O 3.14Å; H321-Y377 AromaticContact CE1-CD2 3.48Å; H321-Y377 VanDerWaalsContact CE1-CD2 3.48Å; H321-Y377 WeakPolarHBondContact CE1-CD2 3.39Å; H321-Y377 AromaticContact ND1-CD2 3.66Å; C322-Y377 PolarHBondContact N-O 3.39Å; P375-Y377 HydrophobicContact CB-CE2 3.84Å; P375-Y377 HydrophobicContact CG-CE2 4.07Å
378	Y	97.8	Very high	96.9	Very high	119 Å²	119	69.2 Å²	69.2	47%	0.467	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	143.9	174.8	51.8	-96.2	0	0	0	110.5	C322 R366	C322-Y378 CarbonylContact O-C 3.46Å; C322-Y378 WeakPolarHBondContact O-CA 3.26Å; R366-Y378 HydrophobicContact CB-CD1 4.45Å; R366-Y378 HydrophobicContact CG-CD1 3.89Å; R366-Y378 HydrophobicContact CG-CD2 4.06Å; R366-Y378 HydrophobicContact CG-CE1 4.23Å; R366-Y378 HydrophobicContact CG-CE2 4.4Å; R366-Y378 HydrophobicContact CG-CG 3.8Å
379	K	98.3	Very high	96.9	Very high	91 Å²	91	69.1 Å²	69.1	40%	0.396	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	127.8	178	-173.5	172.1	176.7	-176.4	0	110	C322 L323 Y324 F381 Y398	C322-K379 PolarHBondContact O-N 3.36Å; L323-K379 WeakPolarHBondContact CA-O 3.18Å; L323-K379 HydrophobicContact CD2-CB 3.9Å; Y324-K379 PolarHBondContact N-O 3.17Å; K379-F381 HydrophobicContact CB-CE2 3.93Å; K379-F381 HydrophobicContact CB-CZ 4.22Å; K379-F381 HydrophobicContact CD-CE1 4.06Å; K379-F381 HydrophobicContact CD-CE2 4.16Å; K379-F381 HydrophobicContact CD-CZ 3.61Å; K379-F381 HydrophobicContact CG-CD2 4.48Å; K379-F381 HydrophobicContact CG-CE1 4.41Å; K379-F381 HydrophobicContact CG-CE2 3.83Å; K379-F381 HydrophobicContact CG-CZ 3.82Å; K379-F381 WeakPolarHBondContact O-CD2 3.12Å; K379-F381 WeakPolarHBondContact O-CE2 3.39Å; K379-Y398 HydrophobicContact CB-CE2 4.49Å; K379-Y398 HydrophobicContact CD-CD2 3.77Å; K379-Y398 HydrophobicContact CD-CE2 4.08Å
380	S	98.4	Very high	96.9	Very high	50 Å²	50	66.7 Å²	66.7	35%	0.35	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	148.8	170.8	48.1	0	0	0	0	110.8	Y324	Y324-S380 CarbonylContact O-C 3.53Å; Y324-S380 VanDerWaalsContact O-CA 3.3Å; Y324-S380 WeakPolarHBondContact O-CA 3.45Å
381	F	98.5	Very high	96.9	Very high	5 Å²	5	65.1 Å²	65.1	2%	0.022	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	105.3	179.5	-64.4	-95.5	0	0	0	109.3	L323 Y324 G325 V326 K379 N383 A384 D394 V395	L323-F381 HydrophobicContact CB-CD2 4.46Å; L323-F381 HydrophobicContact CB-CE2 3.81Å; L323-F381 HydrophobicContact CD1-CE2 4.43Å; L323-F381 HydrophobicContact CD2-CE2 3.94Å; L323-F381 HydrophobicContact CD2-CZ 4.37Å; L323-F381 HydrophobicContact CG-CE2 4.25Å; Y324-F381 PolarHBondContact O-N 3.28Å; G325-F381 WeakPolarHBondContact CA-O 3.42Å; V326-F381 PolarHBondContact N-O 2.9Å; K379-F381 HydrophobicContact CB-CE2 3.93Å; K379-F381 HydrophobicContact CB-CZ 4.22Å; K379-F381 HydrophobicContact CD-CE1 4.06Å; K379-F381 HydrophobicContact CD-CE2 4.16Å; K379-F381 HydrophobicContact CD-CZ 3.61Å; K379-F381 HydrophobicContact CG-CD2 4.48Å; K379-F381 HydrophobicContact CG-CE1 4.41Å; K379-F381 HydrophobicContact CG-CE2 3.83Å; K379-F381 HydrophobicContact CG-CZ 3.82Å; K379-F381 WeakPolarHBondContact O-CD2 3.12Å; K379-F381 WeakPolarHBondContact O-CE2 3.39Å; F381-N383 PolarHBondContact O-N 2.92Å; F381-A384 HydrophobicContact CB-CB 3.71Å; F381-A384 WeakPolarHBondContact O-CB 3.48Å; F381-A384 PolarHBondContact O-N 3.32Å; F381-D394 HydrophobicContact CD1-CB 3.92Å; F381-D394 HydrophobicContact CE1-CB 3.89Å; F381-V395 HydrophobicContact CB-CG2 4.27Å; F381-V395 HydrophobicContact CD1-CG2 3.48Å; F381-V395 VanDerWaalsContact CD1-CG2 3.48Å; F381-V395 HydrophobicContact CD2-CG2 3.76Å; F381-V395 HydrophobicContact CE1-CB 4.28Å; F381-V395 HydrophobicContact CE1-CG2 3.59Å; F381-V395 HydrophobicContact CE2-CG2 3.89Å; F381-V395 HydrophobicContact CG-CG2 3.55Å; F381-V395 HydrophobicContact CZ-CB 4.39Å; F381-V395 HydrophobicContact CZ-CG2 3.79Å
382	P	98.1	Very high	97.1	Very high	78 Å²	78	61.8 Å²	61.8	51%	0.506	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	135.2	179.3	-27.8	36.3	0	0	0	112.3	V326 A384	V326-P382 HydrophobicContact CG2-CB 4.42Å; V326-P382 HydrophobicContact CG2-CG 4.22Å; P382-A384 PolarHBondContact O-N 2.81Å; P382-A384 VanDerWaalsContact O-N 3.13Å
383	N	97.5	Very high	97.2	Very high	121 Å²	121	65 Å²	65	65%	0.647	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	13	-179.9	-52	-74.9	0	0	0	115.5	V326 F381 E385	V326-N383 PolarHBondContact O-N 3.2Å; F381-N383 PolarHBondContact O-N 2.92Å; N383-E385 PolarHBondContact O-N 3.43Å
384	A	97.4	Very high	97.3	Very high	2 Å²	2	59.6 Å²	59.6	2%	0.017	31%	0.305	C	S	.	.			trans	-77.5	91.1	171.3	0	0	0	0	0	109.5	G325 F381 P382 I389	G325-A384 WeakPolarHBondContact CA-O 3.47Å; F381-A384 HydrophobicContact CB-CB 3.71Å; F381-A384 WeakPolarHBondContact O-CB 3.48Å; F381-A384 PolarHBondContact O-N 3.32Å; P382-A384 PolarHBondContact O-N 2.81Å; P382-A384 VanDerWaalsContact O-N 3.13Å; A384-I389 HydrophobicContact CB-CB 4.4Å; A384-I389 HydrophobicContact CB-CG1 4.21Å
385	E	96.5	Very high	97.3	Very high	44 Å²	44	55.6 Å²	55.6	21%	0.206	29%	0.288	C	S	.	.			trans	-55.9	151.8	174.7	-170	-72.4	142.7	0	0	111.4	D354 N383 T387 E388 I389	D354-E385 CarbonylContact O-C 3.43Å; D354-E385 WeakPolarHBondContact O-CA 3.37Å; N383-E385 PolarHBondContact O-N 3.43Å; E385-T387 VanDerWaalsContact C-N 3.29Å; E385-T387 PolarHBondContact O-N 2.8Å; E385-T387 VanDerWaalsContact O-N 3.11Å; E385-T387 PolarHBondContact OE2-N 3.13Å; E385-T387 PolarHBondContact OE2-OG1 3.25Å; E385-E388 HydrophobicContact CB-CB 3.96Å; E385-E388 HydrophobicContact CB-CG 3.86Å; E385-E388 HydrophobicContact CG-CG 4.44Å; E385-E388 PolarHBondContact O-N 2.87Å; E385-E388 WeakPolarHBondContact OE2-CG 3.27Å; E385-E388 PolarHBondContact OE2-N 2.79Å; E385-I389 PolarHBondContact O-N 2.89Å
386	H	96.8	Very high	97.3	Very high	13 Å²	13	54.1 Å²	54.1	6%	0.06	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-41.7	-50.4	-171.6	-168.7	61.8	0	0	0	113.8	H187 S188 A217 D354 V357 I389	H187-H386 PolarHBondContact NE2-O 3.2Å; S188-H386 VanDerWaalsContact CB-NE2 3.33Å; S188-H386 WeakPolarHBondContact CB-NE2 3.24Å; S188-H386 PolarHBondContact OG-CE1 2.84Å; S188-H386 PolarHBondContact OG-NE2 2.73Å; A217-H386 PolarHBondContact O-CE1 3.03Å; D354-H386 HydrophobicContact CB-CB 4.3Å; D354-H386 VanDerWaalsContact CG-ND1 3.31Å; D354-H386 PolarHBondContact O-N 2.69Å; D354-H386 IonicContact OD1-CG 2.83Å; D354-H386 IonicContact OD1-ND1 3.62Å; D354-H386 PolarHBondContact OD1-ND1 2.97Å; D354-H386 IonicContact OD2-CE1 3.53Å; D354-H386 IonicContact OD2-CG 3.74Å; D354-H386 IonicContact OD2-ND1 3.16Å; D354-H386 PolarHBondContact OD2-ND1 3.44Å; V357-H386 WeakPolarHBondContact CG2-CE1 3.49Å; H386-I389 WeakPolarHBondContact O-CG2 3.49Å
387	T	94.2	Very high	97.3	Very high	63 Å²	63	56 Å²	56	39%	0.387	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-33.9	179.2	59.4	0	0	0	0	112.8	E385 I389 L390	E385-T387 VanDerWaalsContact C-N 3.29Å; E385-T387 PolarHBondContact O-N 2.8Å; E385-T387 VanDerWaalsContact O-N 3.11Å; E385-T387 PolarHBondContact OE2-N 3.13Å; E385-T387 PolarHBondContact OE2-OG1 3.25Å; T387-I389 PolarHBondContact O-N 3.39Å; T387-L390 WeakPolarHBondContact O-CB 3.03Å; T387-L390 PolarHBondContact O-N 2.97Å
388	E	94.7	Very high	97.3	Very high	83 Å²	83	52.5 Å²	52.5	39%	0.388	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-67.6	-17.9	-178.1	-59	-75.9	99.5	0	0	112.7	E385 L390 K391 N392	E385-E388 HydrophobicContact CB-CB 3.96Å; E385-E388 HydrophobicContact CB-CG 3.86Å; E385-E388 HydrophobicContact CG-CG 4.44Å; E385-E388 PolarHBondContact O-N 2.87Å; E385-E388 WeakPolarHBondContact OE2-CG 3.27Å; E385-E388 PolarHBondContact OE2-N 2.79Å; E388-L390 PolarHBondContact O-N 3.39Å; E388-L390 VanDerWaalsContact O-N 3.11Å; E388-K391 WeakPolarHBondContact O-CG 3.26Å; E388-K391 PolarHBondContact O-N 3.27Å; E388-K391 WeakPolarHBondContact OE1-CE 3.31Å; E388-K391 IonicContact OE1-NZ 3.3Å; E388-K391 PolarHBondContact OE1-NZ 3.06Å; E388-K391 WeakPolarHBondContact OE2-CE 3.19Å; E388-K391 IonicContact OE2-NZ 2.79Å; E388-K391 PolarHBondContact OE2-NZ 3Å; E388-N392 PolarHBondContact O-N 3.17Å; E388-N392 VanDerWaalsContact O-N 3.08Å
389	I	97.4	Very high	97.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-53.4	-30.1	171.6	-158.9	175.5	0	0	0	112.3	L216 A217 A384 E385 H386 T387 K391 N392 V395	L216-I389 HydrophobicContact CB-CG2 4.47Å; A217-I389 HydrophobicContact CB-CD1 4.27Å; A217-I389 HydrophobicContact CB-CG2 4.15Å; A384-I389 HydrophobicContact CB-CB 4.4Å; A384-I389 HydrophobicContact CB-CG1 4.21Å; E385-I389 PolarHBondContact O-N 2.89Å; H386-I389 WeakPolarHBondContact O-CG2 3.49Å; T387-I389 PolarHBondContact O-N 3.39Å; I389-K391 VanDerWaalsContact C-N 3.26Å; I389-K391 PolarHBondContact O-N 2.8Å; I389-N392 PolarHBondContact O-N 2.82Å; I389-V395 HydrophobicContact CG1-CG1 4.31Å; I389-V395 HydrophobicContact CG1-CG2 3.77Å
390	L	97.1	Very high	97.1	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.01	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-69.6	-20.7	179.8	-64.3	178.6	0	0	0	113.6	Y126 F127 M130 H187 L216 T387 E388	Y126-L390 HydrophobicContact CD2-CD1 3.43Å; Y126-L390 VanDerWaalsContact CD2-CD1 3.43Å; Y126-L390 HydrophobicContact CE2-CD1 3.45Å; Y126-L390 VanDerWaalsContact CE2-CD1 3.45Å; Y126-L390 HydrophobicContact CG-CD1 4.04Å; Y126-L390 WeakPolarHBondContact O-CD1 3.39Å; F127-L390 HydrophobicContact CD2-CD1 3.96Å; F127-L390 HydrophobicContact CE2-CD1 4.02Å; F127-L390 HydrophobicContact CE2-CD2 4.35Å; F127-L390 HydrophobicContact CZ-CD2 4.34Å; M130-L390 WeakPolarHBondContact CB-O 3.2Å; M130-L390 HydrophobicContact CE-CD2 4.14Å; H187-L390 HydrophobicContact CB-CD2 4.09Å; L216-L390 HydrophobicContact CD1-CD2 3.59Å; T387-L390 WeakPolarHBondContact O-CB 3.03Å; T387-L390 PolarHBondContact O-N 2.97Å; E388-L390 PolarHBondContact O-N 3.39Å; E388-L390 VanDerWaalsContact O-N 3.11Å
391	K	96	Very high	96.9	Very high	88 Å²	88	50.1 Å²	50.1	38%	0.383	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.8	0.1	177.7	75.4	-171.7	-167.5	-155.2	0	113.5	D129 E388 I389 P393	D129-K391 HydrophobicContact CB-CB 3.48Å; D129-K391 VanDerWaalsContact CB-CB 3.48Å; D129-K391 WeakPolarHBondContact OD2-CB 3.34Å; E388-K391 WeakPolarHBondContact O-CG 3.26Å; E388-K391 PolarHBondContact O-N 3.27Å; E388-K391 WeakPolarHBondContact OE1-CE 3.31Å; E388-K391 IonicContact OE1-NZ 3.3Å; E388-K391 PolarHBondContact OE1-NZ 3.06Å; E388-K391 WeakPolarHBondContact OE2-CE 3.19Å; E388-K391 IonicContact OE2-NZ 2.79Å; E388-K391 PolarHBondContact OE2-NZ 3Å; I389-K391 VanDerWaalsContact C-N 3.26Å; I389-K391 PolarHBondContact O-N 2.8Å; K391-P393 WeakPolarHBondContact O-CD 3.48Å
392	N	97.5	Very high	96.7	Very high	28 Å²	28	50.4 Å²	50.4	15%	0.15	27%	0.27	C	S	.	.			trans	-62.4	121.6	179.8	-179.6	-66.3	0	0	0	110.5	E388 I389 D394 V395 L396	E388-N392 PolarHBondContact O-N 3.17Å; E388-N392 VanDerWaalsContact O-N 3.08Å; I389-N392 PolarHBondContact O-N 2.82Å; N392-D394 VanDerWaalsContact C-N 3.31Å; N392-D394 PolarHBondContact O-N 3.49Å; N392-D394 WeakPolarHBondContact OD1-CB 3.45Å; N392-D394 PolarHBondContact OD1-N 2.84Å; N392-V395 HydrophobicContact CB-CB 4.03Å; N392-V395 HydrophobicContact CB-CG2 3.76Å; N392-V395 WeakPolarHBondContact O-CB 3.31Å; N392-V395 PolarHBondContact O-N 3.02Å; N392-V395 PolarHBondContact OD1-N 3.42Å; N392-V395 VanDerWaalsContact OD1-N 3.15Å; N392-L396 WeakPolarHBondContact O-CG 3.37Å; N392-L396 PolarHBondContact O-N 3.12Å
393	P	97.5	Very high	96.4	Very high	97 Å²	97	47 Å²	47	63%	0.63	25%	0.248	S	C	*	.	H	α-helix	trans	-58.5	-36.5	-176	-27.6	35.7	0	0	0	114.7	K391 L396 A397	K391-P393 WeakPolarHBondContact O-CD 3.48Å; P393-L396 PolarHBondContact O-N 2.89Å; P393-A397 WeakPolarHBondContact O-CB 3.37Å; P393-A397 PolarHBondContact O-N 2.98Å
394	D	98	Very high	96.1	Very high	106 Å²	106	45.7 Å²	45.7	57%	0.567	24%	0.237	S	C	*	.	H	α-helix	trans	-72	-35.7	-179.7	-64	-38.8	0	0	0	111.6	F381 N392 A397 Y398	F381-D394 HydrophobicContact CD1-CB 3.92Å; F381-D394 HydrophobicContact CE1-CB 3.89Å; N392-D394 VanDerWaalsContact C-N 3.31Å; N392-D394 PolarHBondContact O-N 3.49Å; N392-D394 WeakPolarHBondContact OD1-CB 3.45Å; N392-D394 PolarHBondContact OD1-N 2.84Å; D394-A397 PolarHBondContact O-N 3.14Å; D394-Y398 WeakPolarHBondContact O-CB 3.38Å; D394-Y398 PolarHBondContact O-N 2.92Å
395	V	98.2	Very high	95.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-65.2	-46.2	172.8	175.9	0	0	0	0	109.8	L216 L323 F381 I389 N392 A397 Y398 I399	L216-V395 HydrophobicContact CD2-CG1 3.96Å; L323-V395 HydrophobicContact CD1-CG1 4.36Å; F381-V395 HydrophobicContact CB-CG2 4.27Å; F381-V395 HydrophobicContact CD1-CG2 3.48Å; F381-V395 VanDerWaalsContact CD1-CG2 3.48Å; F381-V395 HydrophobicContact CD2-CG2 3.76Å; F381-V395 HydrophobicContact CE1-CB 4.28Å; F381-V395 HydrophobicContact CE1-CG2 3.59Å; F381-V395 HydrophobicContact CE2-CG2 3.89Å; F381-V395 HydrophobicContact CG-CG2 3.55Å; F381-V395 HydrophobicContact CZ-CB 4.39Å; F381-V395 HydrophobicContact CZ-CG2 3.79Å; I389-V395 HydrophobicContact CG1-CG1 4.31Å; I389-V395 HydrophobicContact CG1-CG2 3.77Å; N392-V395 HydrophobicContact CB-CB 4.03Å; N392-V395 HydrophobicContact CB-CG2 3.76Å; N392-V395 WeakPolarHBondContact O-CB 3.31Å; N392-V395 PolarHBondContact O-N 3.02Å; N392-V395 PolarHBondContact OD1-N 3.42Å; N392-V395 VanDerWaalsContact OD1-N 3.15Å; V395-A397 VanDerWaalsContact C-N 3.33Å; V395-A397 PolarHBondContact O-N 2.89Å; V395-Y398 WeakPolarHBondContact O-CB 3.32Å; V395-Y398 PolarHBondContact O-N 2.93Å; V395-I399 HydrophobicContact CG1-CD1 4.09Å; V395-I399 WeakPolarHBondContact O-CG1 3.25Å; V395-I399 PolarHBondContact O-N 3.28Å
396	L	98	Very high	93.4	Very high	21 Å²	21	51.1 Å²	51.1	11%	0.11	27%	0.269	C	S	.	.	H	α-helix	trans	-63.3	-38.8	177	-65.1	178	0	0	0	112	M130 A133 W137 N392 P393 I399 K400	M130-L396 HydrophobicContact CB-CD2 3.92Å; M130-L396 HydrophobicContact CG-CD2 3.78Å; A133-L396 HydrophobicContact CB-CD1 4.05Å; A133-L396 HydrophobicContact CB-CD2 4.34Å; W137-L396 HydrophobicContact CH2-CB 4.39Å; W137-L396 VanDerWaalsContact CH2-O 3.27Å; W137-L396 WeakPolarHBondContact CH2-O 3.38Å; W137-L396 HydrophobicContact CZ2-CB 4.46Å; N392-L396 WeakPolarHBondContact O-CG 3.37Å; N392-L396 PolarHBondContact O-N 3.12Å; P393-L396 PolarHBondContact O-N 2.89Å; L396-I399 PolarHBondContact O-N 2.94Å; L396-K400 WeakPolarHBondContact O-CB 3.11Å; L396-K400 PolarHBondContact O-N 2.66Å
397	A	97.5	Very high	91.1	Very high	57 Å²	57	57.2 Å²	57.2	47%	0.471	30%	0.296	S	S	.	.	H	α-helix	trans	-63	-43.5	174.1	0	0	0	0	0	111.8	P393 D394 V395 K400 E401	P393-A397 WeakPolarHBondContact O-CB 3.37Å; P393-A397 PolarHBondContact O-N 2.98Å; D394-A397 PolarHBondContact O-N 3.14Å; V395-A397 VanDerWaalsContact C-N 3.33Å; V395-A397 PolarHBondContact O-N 2.89Å; A397-K400 WeakPolarHBondContact O-CB 3.45Å; A397-K400 PolarHBondContact O-N 3.21Å; A397-E401 PolarHBondContact O-N 3.45Å
398	Y	97.7	Very high	88.4	Confident	35 Å²	35	63.3 Å²	63.3	14%	0.137	34%	0.336	C	S	.	.	H	α-helix	trans	-61	-47.8	174.4	-175.2	-80.2	0	0	0	111.5	H321 L323 K379 D394 V395 K400 E401 V402	H321-Y398 HydrophobicContact CB-CE1 3.96Å; H321-Y398 AromaticContact ND1-CE1 3.69Å; H321-Y398 AromaticContact ND1-CZ 3.75Å; H321-Y398 PolarHBondContact ND1-OH 2.91Å; L323-Y398 HydrophobicContact CD1-CD1 3.59Å; L323-Y398 HydrophobicContact CD1-CE1 3.97Å; L323-Y398 HydrophobicContact CD1-CG 4.35Å; L323-Y398 HydrophobicContact CD2-CD1 3.87Å; L323-Y398 HydrophobicContact CD2-CE1 3.63Å; L323-Y398 HydrophobicContact CD2-CE2 4.44Å; L323-Y398 HydrophobicContact CD2-CG 4.39Å; L323-Y398 HydrophobicContact CG-CD1 4.39Å; L323-Y398 HydrophobicContact CG-CE1 4.36Å; K379-Y398 HydrophobicContact CB-CE2 4.49Å; K379-Y398 HydrophobicContact CD-CD2 3.77Å; K379-Y398 HydrophobicContact CD-CE2 4.08Å; D394-Y398 WeakPolarHBondContact O-CB 3.38Å; D394-Y398 PolarHBondContact O-N 2.92Å; V395-Y398 WeakPolarHBondContact O-CB 3.32Å; V395-Y398 PolarHBondContact O-N 2.93Å; Y398-K400 VanDerWaalsContact C-N 3.28Å; Y398-K400 PolarHBondContact O-N 2.99Å; Y398-E401 WeakPolarHBondContact O-CB 3.06Å; Y398-E401 PolarHBondContact O-N 2.94Å; Y398-E401 VanDerWaalsContact O-N 3.11Å; Y398-V402 HydrophobicContact CD1-CG2 3.85Å; Y398-V402 HydrophobicContact CE1-CG2 3.43Å; Y398-V402 VanDerWaalsContact CE1-CG2 3.43Å; Y398-V402 WeakPolarHBondContact O-CG2 3.44Å; Y398-V402 PolarHBondContact O-N 2.82Å
399	I	96.7	Very high	88.1	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-58.1	-44	177.1	-69.4	171.2	0	0	0	110.2	M130 M134 W137 I185 I214 L216 L323 V395 L396 E401 V402 L403	M130-I399 HydrophobicContact SD-CD1 3.71Å; M134-I399 HydrophobicContact CE-CG2 4.07Å; W137-I399 HydrophobicContact CZ3-CG2 4.25Å; I185-I399 HydrophobicContact CD1-CG2 4.34Å; I214-I399 HydrophobicContact CD1-CG1 4.27Å; I214-I399 HydrophobicContact CD1-CG2 4.14Å; I214-I399 HydrophobicContact CG2-CG1 4.24Å; L216-I399 HydrophobicContact CD1-CD1 4.33Å; L216-I399 HydrophobicContact CD2-CD1 4.34Å; L323-I399 HydrophobicContact CD1-CG1 4.46Å; V395-I399 HydrophobicContact CG1-CD1 4.09Å; V395-I399 WeakPolarHBondContact O-CG1 3.25Å; V395-I399 PolarHBondContact O-N 3.28Å; L396-I399 PolarHBondContact O-N 2.94Å; I399-E401 VanDerWaalsContact C-N 3.33Å; I399-E401 PolarHBondContact O-N 2.94Å; I399-V402 PolarHBondContact O-N 2.03Å; I399-L403 HydrophobicContact CG2-CD1 3.61Å; I399-L403 HydrophobicContact CG2-CG 4.09Å; I399-L403 WeakPolarHBondContact O-CB 3.46Å; I399-L403 VanDerWaalsContact O-CG 3.23Å; I399-L403 WeakPolarHBondContact O-CG 3.06Å; I399-L403 PolarHBondContact O-N 3.32Å
400	K	95.8	Very high	87.6	Confident	97 Å²	97	65.6 Å²	65.6	42%	0.422	35%	0.352	S	S	.	.	H	α-helix	trans	-57.9	-45.3	175.9	-168.7	-178.8	-176.5	179.2	0	111.3	W137 L396 A397 Y398 V402 L403 F404	W137-K400 HydrophobicContact CD2-CB 4.34Å; W137-K400 HydrophobicContact CD2-CD 4.1Å; W137-K400 HydrophobicContact CD2-CG 3.93Å; W137-K400 HydrophobicContact CE3-CB 4.26Å; W137-K400 HydrophobicContact CE3-CG 4.18Å; W137-K400 HydrophobicContact CG-CD 4.35Å; W137-K400 HydrophobicContact CG-CG 4.43Å; W137-K400 HydrophobicContact CH2-CB 3.81Å; W137-K400 HydrophobicContact CH2-CG 4.45Å; W137-K400 HydrophobicContact CZ2-CB 3.86Å; W137-K400 HydrophobicContact CZ2-CD 4.12Å; W137-K400 HydrophobicContact CZ2-CG 4.2Å; W137-K400 HydrophobicContact CZ3-CB 4.01Å; W137-K400 HydrophobicContact CZ3-CG 4.44Å; L396-K400 WeakPolarHBondContact O-CB 3.11Å; L396-K400 PolarHBondContact O-N 2.66Å; A397-K400 WeakPolarHBondContact O-CB 3.45Å; A397-K400 PolarHBondContact O-N 3.21Å; Y398-K400 VanDerWaalsContact C-N 3.28Å; Y398-K400 PolarHBondContact O-N 2.99Å; K400-V402 PolarHBondContact O-N 2.79Å; K400-L403 PolarHBondContact O-N 3.42Å; K400-F404 HydrophobicContact CG-CD2 3.79Å; K400-F404 HydrophobicContact CG-CE2 4.13Å; K400-F404 WeakPolarHBondContact O-CB 3.49Å; K400-F404 VanDerWaalsContact O-CD2 3.28Å; K400-F404 WeakPolarHBondContact O-CD2 3.37Å; K400-F404 PolarHBondContact O-N 3.3Å
401	E	94.7	Very high	87.1	Confident	113 Å²	113	69.2 Å²	69.2	53%	0.528	37%	0.37	S	S	.	.	H	α-helix	trans	-59.4	-46	176.4	-169	-171.8	157.7	0	0	111.8	A397 Y398 I399 L403 F404 S405	A397-E401 PolarHBondContact O-N 3.45Å; Y398-E401 WeakPolarHBondContact O-CB 3.06Å; Y398-E401 PolarHBondContact O-N 2.94Å; Y398-E401 VanDerWaalsContact O-N 3.11Å; I399-E401 VanDerWaalsContact C-N 3.33Å; I399-E401 PolarHBondContact O-N 2.94Å; E401-L403 VanDerWaalsContact C-N 3.31Å; E401-L403 PolarHBondContact O-N 2.74Å; E401-F404 PolarHBondContact O-N 3Å; E401-S405 WeakPolarHBondContact O-CA 3.18Å; E401-S405 WeakPolarHBondContact O-CB 3.41Å; E401-S405 PolarHBondContact O-N 3.01Å; E401-S405 PolarHBondContact O-OG 3.37Å
402	V	93.2	Very high	86.5	Confident	10 Å²	10	68.1 Å²	68.1	6%	0.061	37%	0.37	C	S	.	.	H	α-helix	trans	-61.1	-40.3	178	173.7	0	0	0	0	112	I214 H321 Y398 I399 K400 S405	I214-V402 HydrophobicContact CD1-CB 4.34Å; I214-V402 HydrophobicContact CD1-CG1 3.97Å; I214-V402 HydrophobicContact CG1-CG1 4.36Å; H321-V402 VanDerWaalsContact CE1-CG2 3.47Å; H321-V402 WeakPolarHBondContact CE1-CG2 3.39Å; H321-V402 WeakPolarHBondContact NE2-CG1 3.48Å; Y398-V402 HydrophobicContact CD1-CG2 3.85Å; Y398-V402 HydrophobicContact CE1-CG2 3.43Å; Y398-V402 VanDerWaalsContact CE1-CG2 3.43Å; Y398-V402 WeakPolarHBondContact O-CG2 3.44Å; Y398-V402 PolarHBondContact O-N 2.82Å; I399-V402 PolarHBondContact O-N 2.03Å; K400-V402 PolarHBondContact O-N 2.79Å; V402-S405 PolarHBondContact O-OG 3.1Å
403	L	92.9	Very high	85.8	Confident	8 Å²	8	70.6 Å²	70.6	4%	0.042	38%	0.383	C	S	.	.	H	α-helix	trans	-75.5	-32	-176.7	-66.5	177.2	0	0	0	113.5	L29 W137 Y139 V183 I399 K400 E401	L29-L403 HydrophobicContact CD1-CD1 4.17Å; L29-L403 HydrophobicContact CD2-CD1 4.12Å; L29-L403 HydrophobicContact CD2-CD2 3.77Å; L29-L403 HydrophobicContact CG-CD2 4.42Å; W137-L403 HydrophobicContact CZ3-CD1 4.29Å; Y139-L403 HydrophobicContact CE2-CD1 4.39Å; V183-L403 HydrophobicContact CB-CD2 4.09Å; V183-L403 HydrophobicContact CG1-CD2 4.09Å; V183-L403 HydrophobicContact CG2-CD2 4.05Å; I399-L403 HydrophobicContact CG2-CD1 3.61Å; I399-L403 HydrophobicContact CG2-CG 4.09Å; I399-L403 WeakPolarHBondContact O-CB 3.46Å; I399-L403 VanDerWaalsContact O-CG 3.23Å; I399-L403 WeakPolarHBondContact O-CG 3.06Å; I399-L403 PolarHBondContact O-N 3.32Å; K400-L403 PolarHBondContact O-N 3.42Å; E401-L403 VanDerWaalsContact C-N 3.31Å; E401-L403 PolarHBondContact O-N 2.74Å
404	F	89.6	Confident	85.1	Confident	93 Å²	93	68.8 Å²	68.8	41%	0.408	37%	0.367	S	S	.	.	H	α-helix	trans	-105.5	-7.7	-176.2	-71.6	-87.1	0	0	0	114.2	W137 Y139 K400 E401 D406	W137-F404 HydrophobicContact CB-CE2 3.76Å; W137-F404 HydrophobicContact CB-CZ 3.73Å; W137-F404 HydrophobicContact CD2-CE2 4.4Å; W137-F404 HydrophobicContact CE3-CE2 4.22Å; W137-F404 HydrophobicContact CG-CE2 4.24Å; Y139-F404 HydrophobicContact CE2-CE2 4.15Å; Y139-F404 HydrophobicContact CE2-CZ 4.08Å; K400-F404 HydrophobicContact CG-CD2 3.79Å; K400-F404 HydrophobicContact CG-CE2 4.13Å; K400-F404 WeakPolarHBondContact O-CB 3.49Å; K400-F404 VanDerWaalsContact O-CD2 3.28Å; K400-F404 WeakPolarHBondContact O-CD2 3.37Å; K400-F404 PolarHBondContact O-N 3.3Å; E401-F404 PolarHBondContact O-N 3Å; F404-D406 PolarHBondContact O-N 3.35Å
405	S	79.3	Confident	84.1	Confident	32 Å²	32	66.1 Å²	66.1	22%	0.224	35%	0.353	C	S	.	.			trans	-68.7	127.3	172.6	56.2	0	0	0	0	110.5	E401 V402 K407	E401-S405 WeakPolarHBondContact O-CA 3.18Å; E401-S405 WeakPolarHBondContact O-CB 3.41Å; E401-S405 PolarHBondContact O-N 3.01Å; E401-S405 PolarHBondContact O-OG 3.37Å; V402-S405 PolarHBondContact O-OG 3.1Å; S405-K407 PolarHBondContact O-N 3.11Å
406	D	58.1	Low	83.1	Confident	127 Å²	127	71.2 Å²	71.2	68%	0.679	38%	0.38	S	S	*	.			trans	-80	18.4	169.6	-74.5	-26	0	0	0	111.2	R24 F404	R24-D406 IonicContact CZ-OD2 2.74Å; R24-D406 IonicContact NH1-OD1 2.72Å; R24-D406 PolarHBondContact NH1-OD1 3.21Å; R24-D406 IonicContact NH1-OD2 3.18Å; R24-D406 PolarHBondContact NH1-OD2 3.11Å; R24-D406 IonicContact NH2-OD2 2.76Å; F404-D406 PolarHBondContact O-N 3.35Å
407	K	49.1	Very low	81.8	Confident	142 Å²	142	75.4 Å²	75.4	62%	0.617	40%	0.402	S	S	*	.			trans	-63.4	127.6	176.2	-73.9	179.3	-179.1	168.1	0	107.9	S405	S405-K407 PolarHBondContact O-N 3.11Å
408	P	37.3	Very low	80.4	Confident	191 Å²	191	77.1 Å²	77.1	100%	1.24	40%	0.396	S	S	*	.			trans	-62.3	0	-170.4	22.5	-32.5	0	0	0	114.2

Retrieved 408 of 408 residues in 108.4 ms (Link to these results)

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