A0A087YSI4_POEFO Loading...

Malate dehydrogenase

AlphaFold DB , UniProt , Accession A0A087YSI4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 337 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	44.2	Very low	43.6	Very low	242 Å²	242	158.1 Å²	158.1	100%	1.192	87%	0.865	S	S	*	*				0	105.7	0	-70.1	-178.9	-165.9	0	0	107.7	S3	M1-S3 PolarHBondContact O-N 3.49Å
2	F	39.6	Very low	44	Very low	216 Å²	216	158.7 Å²	158.7	95%	0.947	87%	0.865	S	S	*	*			trans	-80	116.2	-178.5	-77.6	-87.1	0	0	0	109.8
3	S	39.8	Very low	44.2	Very low	123 Å²	123	153.8 Å²	153.8	86%	0.86	86%	0.859	S	S	*	*			trans	-80.2	115.9	173.7	-171	0	0	0	0	109.5	M1 A5	M1-S3 PolarHBondContact O-N 3.49Å; S3-A5 PolarHBondContact O-N 3.44Å
4	R	43.2	Very low	44.4	Very low	238 Å²	238	159.4 Å²	159.4	90%	0.898	86%	0.86	S	S	*	*			trans	-79.8	108.8	173.5	-93.8	-179.2	169.2	-179.7	-2.5	109
5	A	46.6	Very low	44.4	Very low	99 Å²	99	156.2 Å²	156.2	82%	0.818	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-75.4	119.8	165.7	0	0	0	0	0	109.7	S3	S3-A5 PolarHBondContact O-N 3.44Å
6	V	47.4	Very low	44.5	Very low	137 Å²	137	155.5 Å²	155.5	83%	0.83	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-81.5	119.6	173	178.3	0	0	0	0	108.1
7	R	42.5	Very low	44.4	Very low	230 Å²	230	152.2 Å²	152.2	87%	0.868	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-78.7	133.4	169.8	-81.8	-178	173.1	-178.2	-2.3	109.4	T9	R7-T9 PolarHBondContact O-N 3.28Å
8	P	41.5	Very low	44.5	Very low	116 Å²	116	150.4 Å²	150.4	75%	0.753	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-74.7	127.1	172.4	30.9	-30.2	0	0	0	109.1	V10	P8-V10 PolarHBondContact O-N 3.46Å
9	T	45.2	Very low	44.7	Very low	141 Å²	141	147 Å²	147	87%	0.865	82%	0.822	S	S	*	*			trans	-69.3	111.3	169.2	43	0	0	0	0	109	R7 G11	R7-T9 PolarHBondContact O-N 3.28Å; T9-G11 PolarHBondContact O-N 3.11Å; T9-G11 VanDerWaalsContact O-N 3.11Å
10	V	46.4	Very low	44.9	Very low	130 Å²	130	145.1 Å²	145.1	79%	0.788	82%	0.818	S	S	*	*			trans	-67.8	105.7	169.4	179.4	0	0	0	0	107.4	P8 L12	P8-V10 PolarHBondContact O-N 3.46Å; V10-L12 PolarHBondContact O-N 2.95Å
11	G	43.2	Very low	45.5	Very low	67 Å²	67	142.3 Å²	142.3	69%	0.691	80%	0.799	S	S	*	*			trans	-64.9	117.8	170.9	0	0	0	0	0	109.3	T9 A13	T9-G11 PolarHBondContact O-N 3.11Å; T9-G11 VanDerWaalsContact O-N 3.11Å; G11-A13 PolarHBondContact O-N 3.27Å
12	L	47.8	Very low	46.1	Very low	165 Å²	165	134.9 Å²	134.9	86%	0.864	76%	0.764	S	S	*	*			trans	-62.9	100.4	165.3	-107.9	88.2	0	0	0	107.7	V10 R14	V10-L12 PolarHBondContact O-N 2.95Å; L12-R14 PolarHBondContact O-N 2.92Å; L12-R14 VanDerWaalsContact O-N 3.11Å
13	A	47.4	Very low	47.7	Very low	96 Å²	96	130 Å²	130	79%	0.793	74%	0.744	S	S	*	*			trans	-63.6	110.7	162.7	0	0	0	0	0	107.2	G11 S15	G11-A13 PolarHBondContact O-N 3.27Å; A13-S15 VanDerWaalsContact C-N 3.34Å; A13-S15 PolarHBondContact O-N 3.11Å
14	R	47	Very low	50.2	Low	232 Å²	232	124.3 Å²	124.3	88%	0.875	70%	0.704	S	S	*	*			trans	-62.3	101.3	166	-76.1	-179	-179.9	173.8	-0	106.9	L12 L16	L12-R14 PolarHBondContact O-N 2.92Å; L12-R14 VanDerWaalsContact O-N 3.11Å; R14-L16 VanDerWaalsContact C-N 3.3Å; R14-L16 PolarHBondContact O-N 2.95Å
15	S	43.5	Very low	52.9	Low	111 Å²	111	114.2 Å²	114.2	78%	0.776	67%	0.667	S	S	*	*			trans	-61	97.9	161	157.8	0	0	0	0	106.8	A13 S17	A13-S15 VanDerWaalsContact C-N 3.34Å; A13-S15 PolarHBondContact O-N 3.11Å; S15-S17 VanDerWaalsContact C-N 3.31Å; S15-S17 PolarHBondContact O-N 3.12Å; S15-S17 VanDerWaalsContact O-N 3.12Å
16	L	45.9	Very low	55.3	Low	145 Å²	145	109.5 Å²	109.5	76%	0.759	63%	0.628	S	S	*	*			trans	-72.6	97	162.6	-71.1	167.7	0	0	0	105.3	R14 T18	R14-L16 VanDerWaalsContact C-N 3.3Å; R14-L16 PolarHBondContact O-N 2.95Å; L16-T18 HydrophobicContact CB-CG2 4.44Å; L16-T18 PolarHBondContact O-N 2.86Å
17	S	42.8	Very low	57.8	Low	100 Å²	100	103 Å²	103	70%	0.699	59%	0.588	S	S	*	*			trans	-65.5	88.7	163	-176.5	0	0	0	0	107.1	S15 S19	S15-S17 VanDerWaalsContact C-N 3.31Å; S15-S17 PolarHBondContact O-N 3.12Å; S15-S17 VanDerWaalsContact O-N 3.12Å; S17-S19 PolarHBondContact O-N 3.33Å; S17-S19 VanDerWaalsContact O-N 3.09Å
18	T	46.7	Very low	60.5	Low	120 Å²	120	92 Å²	92	74%	0.736	55%	0.547	S	S	*	.			trans	-80.2	69.8	163.7	57.1	0	0	0	0	107	L16 S20	L16-T18 HydrophobicContact CB-CG2 4.44Å; L16-T18 PolarHBondContact O-N 2.86Å; T18-S20 PolarHBondContact O-N 3.37Å
19	S	49.3	Very low	63.2	Low	85 Å²	85	86.5 Å²	86.5	59%	0.594	51%	0.511	S	S	*	.			trans	-64.9	97.1	152.3	61.1	0	0	0	0	104.4	S17 Q21	S17-S19 PolarHBondContact O-N 3.33Å; S17-S19 VanDerWaalsContact O-N 3.09Å; S19-Q21 PolarHBondContact O-N 3.3Å
20	S	47.9	Very low	65.8	Low	108 Å²	108	80.1 Å²	80.1	76%	0.755	47%	0.474	S	S	*	.			trans	-57.3	92.4	163.5	46.9	0	0	0	0	105.8	T18 N22	T18-S20 PolarHBondContact O-N 3.37Å; S20-N22 PolarHBondContact O-N 2.73Å
21	Q	57.1	Low	68.2	Low	88 Å²	88	74 Å²	74	41%	0.411	44%	0.436	S	S	.	.			trans	-57.4	113.4	167.5	-76.2	-172.3	-37.8	0	0	104.5	S19 H23	S19-Q21 PolarHBondContact O-N 3.3Å; Q21-H23 PolarHBondContact O-N 2.84Å
22	N	57.8	Low	70.9	Confident	86 Å²	86	71.5 Å²	71.5	46%	0.46	41%	0.408	S	S	.	.			trans	-64.8	116.9	179.9	-140.6	12.5	0	0	0	105.9	S20 A24 N266	S20-N22 PolarHBondContact O-N 2.73Å; N22-A24 PolarHBondContact O-N 3.09Å; N22-N266 WeakPolarHBondContact CA-OD1 3.43Å; N22-N266 WeakPolarHBondContact CB-OD1 3.48Å; N22-N266 PolarHBondContact N-OD1 3.31Å; N22-N266 VanDerWaalsContact N-OD1 3.13Å
23	H	72.8	Confident	73.2	Confident	112 Å²	112	65.1 Å²	65.1	52%	0.519	38%	0.383	S	S	.	.			trans	-81.9	85.5	-169.4	-84.6	-51.8	0	0	0	108.8	Q21 K25 S50	Q21-H23 PolarHBondContact O-N 2.84Å; H23-K25 PolarHBondContact O-N 2.76Å; H23-S50 VanDerWaalsContact CB-CB 3.4Å; H23-S50 PolarHBondContact O-OG 3.35Å
24	A	93.1	Very high	75.5	Confident	4 Å²	4	63 Å²	63	3%	0.033	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	132.7	-168.9	0	0	0	0	0	114	N22 S50 Q51 E93 L262	N22-A24 PolarHBondContact O-N 3.09Å; A24-S50 PolarHBondContact O-N 3.01Å; A24-S50 PolarHBondContact O-OG 2.89Å; A24-Q51 PolarHBondContact O-N 2.91Å; A24-E93 VanDerWaalsContact CA-OE2 3.26Å; A24-E93 WeakPolarHBondContact CA-OE2 3.39Å; A24-L262 HydrophobicContact CB-CD2 3.25Å; A24-L262 HydrophobicContact CB-CG 4.49Å
25	K	98.1	Very high	77.9	Confident	27 Å²	27	53.3 Å²	53.3	12%	0.117	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	116.3	165.4	-178.5	172.7	-179.4	175	0	110.4	H23 Q51 S53 K90 E93 V94	H23-K25 PolarHBondContact O-N 2.76Å; K25-Q51 WeakPolarHBondContact CA-O 3.35Å; K25-Q51 HydrophobicContact CB-CB 4.08Å; K25-Q51 HydrophobicContact CD-CB 4.34Å; K25-Q51 HydrophobicContact CG-CB 3.83Å; K25-S53 VanDerWaalsContact CE-OG 3.29Å; K25-S53 WeakPolarHBondContact CE-OG 3.27Å; K25-K90 WeakPolarHBondContact CE-O 3.14Å; K25-K90 PolarHBondContact NZ-O 3.05Å; K25-E93 PolarHBondContact N-OE2 2.97Å; K25-E93 PolarHBondContact O-N 3.26Å; K25-V94 PolarHBondContact O-N 2.74Å
26	V	98.8	Very high	80.6	Confident	0 Å²	0	48 Å²	48	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	135.6	179.5	-175.8	0	0	0	0	110.1	L43 V49 Q51 L52 S53 V94 V96 T258 L262	V26-L43 HydrophobicContact CG1-CD1 4.08Å; V26-V49 HydrophobicContact CB-CG1 4.28Å; V26-V49 HydrophobicContact CG2-CG1 4.1Å; V26-V49 HydrophobicContact CG2-CG2 3.96Å; V26-Q51 PolarHBondContact N-O 3.02Å; V26-L52 HydrophobicContact CB-CD1 4.31Å; V26-L52 HydrophobicContact CG1-CD1 4.43Å; V26-L52 WeakPolarHBondContact O-CA 3.33Å; V26-S53 PolarHBondContact O-N 3.26Å; V26-V94 CarbonylContact C-O 3.53Å; V26-V94 WeakPolarHBondContact CA-O 3.42Å; V26-V94 HydrophobicContact CG1-CB 4.45Å; V26-V94 HydrophobicContact CG2-CB 4.32Å; V26-V96 HydrophobicContact CG1-CG2 4.31Å; V26-T258 HydrophobicContact CG1-CG2 4.43Å; V26-L262 HydrophobicContact CG2-CD1 4.19Å; V26-L262 HydrophobicContact CG2-CD2 4.41Å
27	A	98.9	Very high	83.1	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	141.5	168.1	0	0	0	0	0	112	L29 S53 L89 C92 V94 V95 V96	A27-L29 HydrophobicContact CB-CD2 4.38Å; A27-S53 CarbonylContact C-O 3.48Å; A27-S53 VanDerWaalsContact CA-O 3.25Å; A27-S53 WeakPolarHBondContact CA-O 3.36Å; A27-L89 HydrophobicContact CB-CD2 4.38Å; A27-C92 HydrophobicContact CB-CB 4.5Å; A27-C92 VanDerWaalsContact CB-SG 3.55Å; A27-V94 PolarHBondContact N-O 3.29Å; A27-V95 HydrophobicContact CB-CG1 4.36Å; A27-V95 HydrophobicContact CB-CG2 4.34Å; A27-V95 WeakPolarHBondContact O-CA 3.44Å; A27-V96 PolarHBondContact O-N 2.93Å
28	V	98.9	Very high	85.8	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	114.1	168.8	-177	0	0	0	0	108.7	A31 L39 L43 L52 S53 L54 Y55 V96 P98	V28-A31 HydrophobicContact CB-CB 4.2Å; V28-A31 HydrophobicContact CG1-CB 4.03Å; V28-L39 HydrophobicContact CG1-CD2 4.19Å; V28-L43 HydrophobicContact CG2-CD1 3.5Å; V28-L52 HydrophobicContact CG2-CD1 4.08Å; V28-S53 PolarHBondContact N-O 3.06Å; V28-L54 HydrophobicContact CB-CD2 4.1Å; V28-L54 HydrophobicContact CG2-CD2 4.25Å; V28-Y55 PolarHBondContact O-N 3.21Å; V28-V96 WeakPolarHBondContact CA-O 3.3Å; V28-P98 HydrophobicContact CG1-CG 3.83Å
29	L	98.9	Very high	88.3	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	112.6	177.6	-47.8	-174.4	0	0	0	109.7	A27 Y55 L85 L89 V95 V96 I97 P98 A99 L123	A27-L29 HydrophobicContact CB-CD2 4.38Å; L29-Y55 HydrophobicContact CB-CD1 4.2Å; L29-Y55 HydrophobicContact CD2-CD1 3.97Å; L29-Y55 HydrophobicContact CD2-CG 4.06Å; L29-L85 HydrophobicContact CD1-CD1 4.4Å; L29-L85 HydrophobicContact CD2-CD1 3.97Å; L29-L89 HydrophobicContact CD1-CD2 4.11Å; L29-L89 HydrophobicContact CD2-CD2 3.97Å; L29-L89 HydrophobicContact CG-CD2 4.49Å; L29-V95 HydrophobicContact CD1-CG1 3.72Å; L29-V95 HydrophobicContact CD2-CG1 4.46Å; L29-V95 HydrophobicContact CG-CG1 3.77Å; L29-V96 PolarHBondContact N-O 3.15Å; L29-I97 HydrophobicContact CB-CG1 4.38Å; L29-I97 HydrophobicContact CB-CG2 4.34Å; L29-I97 HydrophobicContact CD1-CD1 4.02Å; L29-I97 HydrophobicContact CD1-CG1 4.06Å; L29-I97 HydrophobicContact CG-CG1 4.36Å; L29-P98 WeakPolarHBondContact O-CD 3.48Å; L29-A99 WeakPolarHBondContact O-CB 3.19Å; L29-A99 PolarHBondContact O-N 3.28Å; L29-L123 HydrophobicContact CB-CD1 4.03Å; L29-L123 HydrophobicContact CB-CD2 4.44Å; L29-L123 HydrophobicContact CD1-CB 3.99Å; L29-L123 HydrophobicContact CD1-CD1 4.4Å; L29-L123 HydrophobicContact CD1-CD2 4.1Å; L29-L123 HydrophobicContact CD1-CG 4.38Å
30	G	98.4	Very high	90.6	Very high	7 Å²	7	32.4 Å²	32.4	7%	0.072	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	99	31.9	-165.6	0	0	0	0	0	112.7	S32 G33 G36 Y55 D56	G30-S32 VanDerWaalsContact C-N 3.28Å; G30-S32 PolarHBondContact O-N 2.92Å; G30-G33 PolarHBondContact O-N 3.29Å; G30-G36 WeakPolarHBondContact O-CA 3.36Å; G30-Y55 PolarHBondContact N-O 3.03Å; G30-D56 WeakPolarHBondContact CA-OD2 3.46Å
31	A	98.6	Very high	93	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-21.7	-172.1	0	0	0	0	0	114.4	V28 G36 Q37 L54 Y55 D56	V28-A31 HydrophobicContact CB-CB 4.2Å; V28-A31 HydrophobicContact CG1-CB 4.03Å; A31-G36 CarbonylContact O-C 3.03Å; A31-Q37 WeakPolarHBondContact O-CA 3.5Å; A31-Q37 WeakPolarHBondContact O-CG 3.29Å; A31-Q37 PolarHBondContact O-N 2.81Å; A31-L54 HydrophobicContact CB-CB 3.72Å; A31-L54 HydrophobicContact CB-CD2 4Å; A31-L54 HydrophobicContact CB-CG 4.33Å; A31-Y55 PolarHBondContact N-O 3.38Å; A31-D56 PolarHBondContact N-OD2 3.17Å
32	S	98.2	Very high	95	Very high	15 Å²	15	29.3 Å²	29.3	11%	0.105	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-10.1	-179.6	-58.2	0	0	0	0	113	G30 Q37 D56 A58 T60	G30-S32 VanDerWaalsContact C-N 3.28Å; G30-S32 PolarHBondContact O-N 2.92Å; S32-Q37 PolarHBondContact O-NE2 3.22Å; S32-D56 WeakPolarHBondContact CA-OD2 3.49Å; S32-D56 WeakPolarHBondContact CB-OD2 3.44Å; S32-D56 PolarHBondContact N-OD2 3.49Å; S32-D56 WeakPolarHBondContact OG-CB 3.44Å; S32-A58 VanDerWaalsContact CB-O 3.24Å; S32-A58 WeakPolarHBondContact CB-O 3.46Å; S32-A58 PolarHBondContact OG-O 2.96Å; S32-T60 PolarHBondContact OG-N 3.13Å
33	G	96.4	Very high	97	Very high	32 Å²	32	25.2 Å²	25.2	33%	0.33	15%	0.15	S	C	.	.	S	Bend	trans	-73.4	172.3	180	0	0	0	0	0	114.2	G30 I35 G36 Q37	G30-G33 PolarHBondContact O-N 3.29Å; G33-I35 VanDerWaalsContact C-N 3.26Å; G33-I35 PolarHBondContact O-N 3.24Å; G33-G36 PolarHBondContact O-N 3.33Å; G33-Q37 PolarHBondContact O-N 3.09Å
34	G	96.4	Very high	98.2	Very high	50 Å²	50	20.2 Å²	20.2	52%	0.515	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-28	-176.7	0	0	0	0	0	115	P38 T247	G34-P38 VanDerWaalsContact O-CD 3.29Å; G34-P38 WeakPolarHBondContact O-CD 3.19Å; G34-P38 VanDerWaalsContact O-CG 3.22Å; G34-P38 WeakPolarHBondContact O-CG 3.34Å; G34-T247 VanDerWaalsContact O-CB 3.3Å; G34-T247 WeakPolarHBondContact O-CB 3.29Å
35	I	98.3	Very high	98.5	Very high	29 Å²	29	23.8 Å²	23.8	15%	0.149	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-41.6	169.1	-63	163.7	0	0	0	110.1	G33 Q37 P38 L39 P98 I139 T247 M250	G33-I35 VanDerWaalsContact C-N 3.26Å; G33-I35 PolarHBondContact O-N 3.24Å; I35-Q37 PolarHBondContact O-N 3.07Å; I35-P38 WeakPolarHBondContact O-CD 3.47Å; I35-P38 WeakPolarHBondContact O-CG 3.21Å; I35-L39 HydrophobicContact CG2-CB 4.48Å; I35-L39 WeakPolarHBondContact O-CB 3.35Å; I35-L39 PolarHBondContact O-N 3.19Å; I35-P98 HydrophobicContact CB-CB 4.04Å; I35-P98 HydrophobicContact CG2-CB 3.78Å; I35-I139 HydrophobicContact CD1-CG2 4.22Å; I35-T247 HydrophobicContact CG1-CG2 4.41Å; I35-M250 HydrophobicContact CD1-CB 4.2Å; I35-M250 HydrophobicContact CD1-CG 3.75Å; I35-M250 HydrophobicContact CG1-CB 4.16Å; I35-M250 HydrophobicContact CG1-CG 4.17Å; I35-M250 HydrophobicContact CG2-CG 4.22Å
36	G	98.6	Very high	98.5	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.01	14%	0.144	C	C	.	.	H	α-helix	trans	-56.3	-47.1	-173.2	0	0	0	0	0	114	G30 A31 G33 L39 S40	G30-G36 WeakPolarHBondContact O-CA 3.36Å; A31-G36 CarbonylContact O-C 3.03Å; G33-G36 PolarHBondContact O-N 3.33Å; G36-L39 PolarHBondContact O-N 3.41Å; G36-S40 VanDerWaalsContact O-CB 3.25Å; G36-S40 WeakPolarHBondContact O-CB 3.48Å; G36-S40 PolarHBondContact O-N 2.86Å; G36-S40 PolarHBondContact O-OG 2.87Å
37	Q	98.8	Very high	98.4	Very high	94 Å²	94	26.9 Å²	26.9	44%	0.439	17%	0.169	S	C	.	.	H	α-helix	trans	-63.8	-56.5	-178.3	-66.4	-173.7	35.6	0	0	112.4	A31 S32 G33 I35 L39 S40 L41 V63	A31-Q37 WeakPolarHBondContact O-CA 3.5Å; A31-Q37 WeakPolarHBondContact O-CG 3.29Å; A31-Q37 PolarHBondContact O-N 2.81Å; S32-Q37 PolarHBondContact O-NE2 3.22Å; G33-Q37 PolarHBondContact O-N 3.09Å; I35-Q37 PolarHBondContact O-N 3.07Å; Q37-L39 VanDerWaalsContact C-N 3.28Å; Q37-L39 PolarHBondContact O-N 2.82Å; Q37-S40 PolarHBondContact O-N 3.17Å; Q37-L41 PolarHBondContact O-N 3.12Å; Q37-V63 HydrophobicContact CG-CG1 4.24Å; Q37-V63 HydrophobicContact CG-CG2 4.16Å
38	P	98.9	Very high	98.3	Very high	27 Å²	27	28.2 Å²	28.2	18%	0.175	18%	0.176	C	C	.	.	H	α-helix	trans	-64.8	-31.1	178.3	23.3	-32.6	0	0	0	112.9	G34 I35 L41 L42 L248 A251	G34-P38 VanDerWaalsContact O-CD 3.29Å; G34-P38 WeakPolarHBondContact O-CD 3.19Å; G34-P38 VanDerWaalsContact O-CG 3.22Å; G34-P38 WeakPolarHBondContact O-CG 3.34Å; I35-P38 WeakPolarHBondContact O-CD 3.47Å; I35-P38 WeakPolarHBondContact O-CG 3.21Å; P38-L41 PolarHBondContact O-N 2.68Å; P38-L42 WeakPolarHBondContact O-CG 3.37Å; P38-L42 PolarHBondContact O-N 3.48Å; P38-L42 VanDerWaalsContact O-N 3.07Å; P38-L248 HydrophobicContact CB-CD2 4.1Å; P38-L248 HydrophobicContact CG-CD2 4.19Å; P38-A251 HydrophobicContact CB-CB 3.76Å; P38-A251 HydrophobicContact CG-CB 3.77Å
39	L	98.9	Very high	98.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64	-46.5	173.4	173.9	62.4	0	0	0	110.7	V28 I35 G36 Q37 L41 L42 L43 V96 P98 I139 A251 A255	V28-L39 HydrophobicContact CG1-CD2 4.19Å; I35-L39 HydrophobicContact CG2-CB 4.48Å; I35-L39 WeakPolarHBondContact O-CB 3.35Å; I35-L39 PolarHBondContact O-N 3.19Å; G36-L39 PolarHBondContact O-N 3.41Å; Q37-L39 VanDerWaalsContact C-N 3.28Å; Q37-L39 PolarHBondContact O-N 2.82Å; L39-L41 VanDerWaalsContact C-N 3.3Å; L39-L41 PolarHBondContact O-N 2.83Å; L39-L42 PolarHBondContact O-N 2.83Å; L39-L43 HydrophobicContact CD1-CD1 4.11Å; L39-L43 HydrophobicContact CD1-CG 4.17Å; L39-L43 HydrophobicContact CG-CD1 4.01Å; L39-L43 HydrophobicContact CG-CG 4.46Å; L39-L43 VanDerWaalsContact O-CG 3.31Å; L39-L43 WeakPolarHBondContact O-CG 3.31Å; L39-L43 PolarHBondContact O-N 2.9Å; L39-V96 HydrophobicContact CD2-CB 4.36Å; L39-V96 HydrophobicContact CD2-CG1 3.76Å; L39-P98 HydrophobicContact CD2-CG 4.23Å; L39-I139 HydrophobicContact CD2-CD1 4.16Å; L39-A251 HydrophobicContact CB-CB 4.02Å; L39-A255 HydrophobicContact CD1-CB 3.97Å
40	S	98.9	Very high	98.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.8	-38	179	-57.5	0	0	0	0	111.7	G36 Q37 L43 K44 L52 L54	G36-S40 VanDerWaalsContact O-CB 3.25Å; G36-S40 WeakPolarHBondContact O-CB 3.48Å; G36-S40 PolarHBondContact O-N 2.86Å; G36-S40 PolarHBondContact O-OG 2.87Å; Q37-S40 PolarHBondContact O-N 3.17Å; S40-L43 PolarHBondContact O-N 3.18Å; S40-K44 VanDerWaalsContact O-CB 3.3Å; S40-K44 WeakPolarHBondContact O-CB 3.38Å; S40-K44 PolarHBondContact O-N 2.95Å; S40-L52 WeakPolarHBondContact O-CD2 3.44Å; S40-L54 VanDerWaalsContact OG-CD2 3.31Å; S40-L54 WeakPolarHBondContact OG-CD2 3.46Å
41	L	98.9	Very high	98.2	Very high	72 Å²	72	32.9 Å²	32.9	38%	0.377	20%	0.198	S	C	.	.	H	α-helix	trans	-58.7	-50.1	171.3	175.1	61.2	0	0	0	111.9	Q37 P38 L39 L43 K44 N45 L67 I70	Q37-L41 PolarHBondContact O-N 3.12Å; P38-L41 PolarHBondContact O-N 2.68Å; L39-L41 VanDerWaalsContact C-N 3.3Å; L39-L41 PolarHBondContact O-N 2.83Å; L41-L43 VanDerWaalsContact C-N 3.33Å; L41-L43 PolarHBondContact O-N 3.2Å; L41-K44 PolarHBondContact O-N 2.85Å; L41-N45 VanDerWaalsContact O-CG 3.23Å; L41-N45 PolarHBondContact O-N 3Å; L41-N45 PolarHBondContact O-OD1 3.48Å; L41-L67 HydrophobicContact CB-CD2 3.98Å; L41-L67 HydrophobicContact CD1-CD2 3.89Å; L41-I70 HydrophobicContact CD1-CD1 3.42Å; L41-I70 VanDerWaalsContact CD1-CD1 3.42Å
42	L	98.9	Very high	98.2	Very high	60 Å²	60	33 Å²	33	31%	0.314	20%	0.198	S	C	.	.	H	α-helix	trans	-62.8	-40.5	179.4	-68.3	172.9	0	0	0	111.9	P38 L39 N45 S46 A251 A255	P38-L42 WeakPolarHBondContact O-CG 3.37Å; P38-L42 PolarHBondContact O-N 3.48Å; P38-L42 VanDerWaalsContact O-N 3.07Å; L39-L42 PolarHBondContact O-N 2.83Å; L42-N45 PolarHBondContact O-N 2.62Å; L42-S46 PolarHBondContact O-N 2.92Å; L42-A251 HydrophobicContact CD1-CB 4.34Å; L42-A255 HydrophobicContact CB-CB 3.74Å; L42-A255 HydrophobicContact CD1-CB 3.82Å; L42-A255 HydrophobicContact CG-CB 4.44Å
43	L	98.8	Very high	98.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-66.1	-43.1	176.7	-66.9	173.7	0	0	0	112	V26 V28 L39 S40 L41 N45 S46 L52 T258 F259	V26-L43 HydrophobicContact CG1-CD1 4.08Å; V28-L43 HydrophobicContact CG2-CD1 3.5Å; L39-L43 HydrophobicContact CD1-CD1 4.11Å; L39-L43 HydrophobicContact CD1-CG 4.17Å; L39-L43 HydrophobicContact CG-CD1 4.01Å; L39-L43 HydrophobicContact CG-CG 4.46Å; L39-L43 VanDerWaalsContact O-CG 3.31Å; L39-L43 WeakPolarHBondContact O-CG 3.31Å; L39-L43 PolarHBondContact O-N 2.9Å; S40-L43 PolarHBondContact O-N 3.18Å; L41-L43 VanDerWaalsContact C-N 3.33Å; L41-L43 PolarHBondContact O-N 3.2Å; L43-N45 PolarHBondContact O-N 3.24Å; L43-S46 WeakPolarHBondContact O-CB 3.18Å; L43-S46 PolarHBondContact O-N 2.85Å; L43-S46 VanDerWaalsContact O-N 3.1Å; L43-L52 HydrophobicContact CB-CD1 4.09Å; L43-L52 HydrophobicContact CB-CD2 4.3Å; L43-L52 HydrophobicContact CD1-CD1 4.13Å; L43-T258 HydrophobicContact CD2-CG2 3.68Å; L43-F259 HydrophobicContact CD2-CD1 4.44Å; L43-F259 HydrophobicContact CD2-CE1 3.71Å; L43-F259 HydrophobicContact CD2-CZ 4.26Å
44	K	98.8	Very high	98.3	Very high	6 Å²	6	30.9 Å²	30.9	3%	0.026	18%	0.179	C	C	.	.	H	α-helix	trans	-59.8	-32.9	174.3	172.1	54.9	175.1	158.5	0	111.9	S40 L41 S46 L52 L67 I70 T72 A74 V76	S40-K44 VanDerWaalsContact O-CB 3.3Å; S40-K44 WeakPolarHBondContact O-CB 3.38Å; S40-K44 PolarHBondContact O-N 2.95Å; L41-K44 PolarHBondContact O-N 2.85Å; K44-S46 VanDerWaalsContact C-N 3.26Å; K44-S46 PolarHBondContact O-N 3.21Å; K44-L52 HydrophobicContact CB-CD2 3.96Å; K44-L67 WeakPolarHBondContact CE-O 3.45Å; K44-I70 WeakPolarHBondContact CE-O 3.29Å; K44-I70 HydrophobicContact CG-CB 4.22Å; K44-I70 HydrophobicContact CG-CD1 4.05Å; K44-I70 HydrophobicContact CG-CG2 4.43Å; K44-I70 PolarHBondContact NZ-O 2.98Å; K44-I70 VanDerWaalsContact NZ-O 3.1Å; K44-T72 VanDerWaalsContact CD-OG1 3.23Å; K44-T72 WeakPolarHBondContact CD-OG1 3.48Å; K44-T72 WeakPolarHBondContact CE-OG1 3.34Å; K44-T72 PolarHBondContact NZ-O 2.97Å; K44-T72 PolarHBondContact NZ-OG1 3.45Å; K44-T72 WeakPolarHBondContact O-CB 3.25Å; K44-T72 PolarHBondContact O-OG1 2.99Å; K44-A74 HydrophobicContact CD-CB 4.01Å; K44-A74 PolarHBondContact NZ-O 3Å; K44-V76 HydrophobicContact CD-CG2 3.62Å; K44-V76 HydrophobicContact CG-CG2 4.32Å
45	N	98.6	Very high	98.4	Very high	79 Å²	79	29.2 Å²	29.2	42%	0.422	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-11.6	178.8	-69.3	-6.4	0	0	0	113.9	L41 L42 L43	L41-N45 VanDerWaalsContact O-CG 3.23Å; L41-N45 PolarHBondContact O-N 3Å; L41-N45 PolarHBondContact O-OD1 3.48Å; L42-N45 PolarHBondContact O-N 2.62Å; L43-N45 PolarHBondContact O-N 3.24Å
46	S	97.9	Very high	98.4	Very high	14 Å²	14	29 Å²	29	10%	0.098	16%	0.156	C	C	.	.			trans	-86.8	134.6	-175.7	-175.7	0	0	0	0	112.7	L42 L43 K44 L48 V49 F259	L42-S46 PolarHBondContact O-N 2.92Å; L43-S46 WeakPolarHBondContact O-CB 3.18Å; L43-S46 PolarHBondContact O-N 2.85Å; L43-S46 VanDerWaalsContact O-N 3.1Å; K44-S46 VanDerWaalsContact C-N 3.26Å; K44-S46 PolarHBondContact O-N 3.21Å; S46-L48 PolarHBondContact O-N 2.7Å; S46-L48 PolarHBondContact OG-N 2.94Å; S46-V49 PolarHBondContact O-N 2.66Å; S46-F259 WeakPolarHBondContact OG-CE1 3.44Å
47	P	96.5	Very high	98.4	Very high	78 Å²	78	35 Å²	35	51%	0.506	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-12	173.2	31.7	-36.3	0	0	0	113.2	V49	P47-V49 VanDerWaalsContact C-N 3.27Å
48	L	97	Very high	98.2	Very high	28 Å²	28	32 Å²	32	15%	0.147	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-16.8	178	-59.3	176.7	0	0	0	112.7	S46 F259 L262 D263	S46-L48 PolarHBondContact O-N 2.7Å; S46-L48 PolarHBondContact OG-N 2.94Å; L48-F259 HydrophobicContact CD1-CB 4.12Å; L48-F259 HydrophobicContact CD1-CD1 4.27Å; L48-F259 HydrophobicContact CD1-CG 4.45Å; L48-L262 HydrophobicContact CB-CB 4.31Å; L48-L262 HydrophobicContact CB-CD1 3.94Å; L48-L262 HydrophobicContact CD1-CB 4.15Å; L48-D263 WeakPolarHBondContact CD1-OD1 3.36Å
49	V	98.2	Very high	98.1	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	127.7	-177	-176.1	0	0	0	0	109.6	V26 S46 P47 Q51 L52 A74 L262	V26-V49 HydrophobicContact CB-CG1 4.28Å; V26-V49 HydrophobicContact CG2-CG1 4.1Å; V26-V49 HydrophobicContact CG2-CG2 3.96Å; S46-V49 PolarHBondContact O-N 2.66Å; P47-V49 VanDerWaalsContact C-N 3.27Å; V49-Q51 WeakPolarHBondContact CG1-O 3.41Å; V49-L52 HydrophobicContact CG1-CB 4.26Å; V49-A74 HydrophobicContact CB-CB 4.29Å; V49-A74 HydrophobicContact CG1-CB 4.07Å; V49-A74 VanDerWaalsContact O-CB 3.32Å; V49-A74 WeakPolarHBondContact O-CB 3.46Å; V49-L262 HydrophobicContact CG2-CD1 4.01Å
50	S	97.1	Very high	98.1	Very high	19 Å²	19	37.6 Å²	37.6	13%	0.133	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	-32.4	177.3	74.6	0	0	0	0	112.8	H23 A24 A74 Q75	H23-S50 VanDerWaalsContact CB-CB 3.4Å; H23-S50 PolarHBondContact O-OG 3.35Å; A24-S50 PolarHBondContact O-N 3.01Å; A24-S50 PolarHBondContact O-OG 2.89Å; S50-A74 CarbonylContact O-C 3.54Å; S50-A74 WeakPolarHBondContact O-CA 3.47Å; S50-Q75 PolarHBondContact O-N 3.36Å
51	Q	98.5	Very high	98	Very high	86 Å²	86	41 Å²	41	40%	0.402	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	130.4	178.7	-68.7	179.7	42.3	0	0	108.6	A24 K25 V26 V49 Q75	A24-Q51 PolarHBondContact O-N 2.91Å; K25-Q51 WeakPolarHBondContact CA-O 3.35Å; K25-Q51 HydrophobicContact CB-CB 4.08Å; K25-Q51 HydrophobicContact CD-CB 4.34Å; K25-Q51 HydrophobicContact CG-CB 3.83Å; V26-Q51 PolarHBondContact N-O 3.02Å; V49-Q51 WeakPolarHBondContact CG1-O 3.41Å; Q51-Q75 CarbonylContact C-O 3.57Å; Q51-Q75 WeakPolarHBondContact CA-O 3.21Å
52	L	98.8	Very high	98	Very high	2 Å²	2	40 Å²	40	1%	0.01	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	102.8	178.6	-176	62.2	0	0	0	109.3	V26 V28 S40 L43 K44 V49 L54 Q75 V76 S77	V26-L52 HydrophobicContact CB-CD1 4.31Å; V26-L52 HydrophobicContact CG1-CD1 4.43Å; V26-L52 WeakPolarHBondContact O-CA 3.33Å; V28-L52 HydrophobicContact CG2-CD1 4.08Å; S40-L52 WeakPolarHBondContact O-CD2 3.44Å; L43-L52 HydrophobicContact CB-CD1 4.09Å; L43-L52 HydrophobicContact CB-CD2 4.3Å; L43-L52 HydrophobicContact CD1-CD1 4.13Å; K44-L52 HydrophobicContact CB-CD2 3.96Å; V49-L52 HydrophobicContact CG1-CB 4.26Å; L52-L54 HydrophobicContact CD1-CD2 4.04Å; L52-L54 HydrophobicContact CD2-CD2 3.95Å; L52-L54 HydrophobicContact CG-CD2 3.65Å; L52-L54 HydrophobicContact CG-CG 4.32Å; L52-Q75 PolarHBondContact N-O 2.9Å; L52-V76 HydrophobicContact CB-CG2 4.46Å; L52-V76 HydrophobicContact CD2-CG2 4.5Å; L52-V76 WeakPolarHBondContact O-CA 3.47Å; L52-S77 PolarHBondContact O-N 3.14Å
53	S	98.8	Very high	98	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.021	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	120.5	171.8	-71.4	0	0	0	0	109.6	K25 V26 A27 V28 A88	K25-S53 VanDerWaalsContact CE-OG 3.29Å; K25-S53 WeakPolarHBondContact CE-OG 3.27Å; V26-S53 PolarHBondContact O-N 3.26Å; A27-S53 CarbonylContact C-O 3.48Å; A27-S53 VanDerWaalsContact CA-O 3.25Å; A27-S53 WeakPolarHBondContact CA-O 3.36Å; V28-S53 PolarHBondContact N-O 3.06Å; S53-A88 WeakPolarHBondContact CB-O 3.33Å; S53-A88 PolarHBondContact OG-O 3.13Å
54	L	98.9	Very high	98	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	125.4	175.4	-56.1	-175.6	0	0	0	108.5	V28 A31 S40 L52 T60 V63 A64 L67 V76 S77 G78 Y79	V28-L54 HydrophobicContact CB-CD2 4.1Å; V28-L54 HydrophobicContact CG2-CD2 4.25Å; A31-L54 HydrophobicContact CB-CB 3.72Å; A31-L54 HydrophobicContact CB-CD2 4Å; A31-L54 HydrophobicContact CB-CG 4.33Å; S40-L54 VanDerWaalsContact OG-CD2 3.31Å; S40-L54 WeakPolarHBondContact OG-CD2 3.46Å; L52-L54 HydrophobicContact CD1-CD2 4.04Å; L52-L54 HydrophobicContact CD2-CD2 3.95Å; L52-L54 HydrophobicContact CG-CD2 3.65Å; L52-L54 HydrophobicContact CG-CG 4.32Å; L54-T60 VanDerWaalsContact C-CG2 3.49Å; L54-T60 HydrophobicContact CB-CG2 3.7Å; L54-T60 WeakPolarHBondContact O-CG2 2.94Å; L54-V63 HydrophobicContact CD1-CG1 4.05Å; L54-A64 HydrophobicContact CD1-CB 4.31Å; L54-L67 HydrophobicContact CD1-CD1 3.62Å; L54-V76 HydrophobicContact CD1-CG1 3.7Å; L54-V76 HydrophobicContact CG-CG1 4.1Å; L54-S77 PolarHBondContact N-O 2.93Å; L54-G78 CarbonylContact O-C 3.59Å; L54-Y79 WeakPolarHBondContact O-CD2 3.43Å; L54-Y79 PolarHBondContact O-N 3.45Å
55	Y	98.9	Very high	98	Very high	14 Å²	14	40.1 Å²	40.1	6%	0.055	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	138.5	176.3	171.5	-95	0	0	0	110.8	V28 L29 G30 A31 Y79 G81 L85 L123	V28-Y55 PolarHBondContact O-N 3.21Å; L29-Y55 HydrophobicContact CB-CD1 4.2Å; L29-Y55 HydrophobicContact CD2-CD1 3.97Å; L29-Y55 HydrophobicContact CD2-CG 4.06Å; G30-Y55 PolarHBondContact N-O 3.03Å; A31-Y55 PolarHBondContact N-O 3.38Å; Y55-Y79 WeakPolarHBondContact CA-O 3.44Å; Y55-G81 WeakPolarHBondContact CE2-O 3.32Å; Y55-L85 HydrophobicContact CD1-CD1 3.74Å; Y55-L85 HydrophobicContact CD2-CB 4.12Å; Y55-L85 HydrophobicContact CD2-CD1 3.85Å; Y55-L85 HydrophobicContact CE1-CD1 3.78Å; Y55-L85 HydrophobicContact CE1-CD2 4.41Å; Y55-L85 HydrophobicContact CE2-CB 3.57Å; Y55-L85 HydrophobicContact CE2-CD1 3.87Å; Y55-L85 HydrophobicContact CE2-CG 4.2Å; Y55-L85 HydrophobicContact CG-CD1 3.76Å; Y55-L123 HydrophobicContact CD1-CD2 4.35Å; Y55-L123 HydrophobicContact CE1-CD2 3.8Å
56	D	98.6	Very high	98	Very high	26 Å²	26	41.5 Å²	41.5	14%	0.139	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	169.6	167.7	-147.1	-61	0	0	0	109.9	G30 A31 S32 A58 T60 Y79 I80 G81	G30-D56 WeakPolarHBondContact CA-OD2 3.46Å; A31-D56 PolarHBondContact N-OD2 3.17Å; S32-D56 WeakPolarHBondContact CA-OD2 3.49Å; S32-D56 WeakPolarHBondContact CB-OD2 3.44Å; S32-D56 PolarHBondContact N-OD2 3.49Å; S32-D56 WeakPolarHBondContact OG-CB 3.44Å; D56-A58 VanDerWaalsContact C-N 3.28Å; D56-A58 WeakPolarHBondContact CB-O 3.24Å; D56-T60 HydrophobicContact CB-CG2 4.46Å; D56-T60 WeakPolarHBondContact CB-OG1 3.45Å; D56-T60 PolarHBondContact N-OG1 3.1Å; D56-Y79 PolarHBondContact N-O 3.38Å; D56-I80 WeakPolarHBondContact O-CA 3.3Å; D56-G81 PolarHBondContact O-N 3.39Å
57	I	97	Very high	98	Very high	127 Å²	127	41.3 Å²	41.3	65%	0.651	25%	0.245	S	C	*	.	S	Bend	trans	-78.2	-17.2	172.5	60.1	166.9	0	0	0	112.1
58	A	95.4	Very high	98.1	Very high	31 Å²	31	40.5 Å²	40.5	26%	0.256	24%	0.242	S	C	.	.	S	Bend	trans	-149.9	156.3	-178.1	0	0	0	0	0	112.4	S32 D56 T60	S32-A58 VanDerWaalsContact CB-O 3.24Å; S32-A58 WeakPolarHBondContact CB-O 3.46Å; S32-A58 PolarHBondContact OG-O 2.96Å; D56-A58 VanDerWaalsContact C-N 3.28Å; D56-A58 WeakPolarHBondContact CB-O 3.24Å; A58-T60 PolarHBondContact O-N 3.03Å; A58-T60 PolarHBondContact O-OG1 3.28Å
59	H	97.1	Very high	98.2	Very high	144 Å²	144	46.7 Å²	46.7	67%	0.667	27%	0.27	S	S	*	.	S	Bend	trans	64.3	-7.3	169.3	-46.7	-62.8	0	0	0	117.7	P61 G62 V63	H59-P61 VanDerWaalsContact C-CD 3.44Å; H59-G62 PolarHBondContact O-N 2.95Å; H59-V63 PolarHBondContact O-N 2.94Å
60	T	97.8	Very high	98.2	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-55.5	-37.8	-174.8	-26.5	0	0	0	0	115.3	S32 L54 D56 A58 G62 V63 A64 Y79	S32-T60 PolarHBondContact OG-N 3.13Å; L54-T60 VanDerWaalsContact C-CG2 3.49Å; L54-T60 HydrophobicContact CB-CG2 3.7Å; L54-T60 WeakPolarHBondContact O-CG2 2.94Å; D56-T60 HydrophobicContact CB-CG2 4.46Å; D56-T60 WeakPolarHBondContact CB-OG1 3.45Å; D56-T60 PolarHBondContact N-OG1 3.1Å; A58-T60 PolarHBondContact O-N 3.03Å; A58-T60 PolarHBondContact O-OG1 3.28Å; T60-G62 VanDerWaalsContact C-N 3.28Å; T60-G62 PolarHBondContact O-N 3.15Å; T60-V63 PolarHBondContact O-N 3.43Å; T60-A64 WeakPolarHBondContact O-CB 3.46Å; T60-A64 PolarHBondContact O-N 3.47Å; T60-Y79 VanDerWaalsContact CB-O 3.29Å; T60-Y79 WeakPolarHBondContact CB-O 3.16Å; T60-Y79 WeakPolarHBondContact CG2-O 3.42Å; T60-Y79 PolarHBondContact OG1-O 3Å; T60-Y79 VanDerWaalsContact OG1-O 3.06Å
61	P	97.6	Very high	98.3	Very high	70 Å²	70	57.6 Å²	57.6	46%	0.455	32%	0.319	S	S	.	.	H	α-helix	trans	-59.5	-37.9	176.7	-27.1	36.8	0	0	0	113.1	H59 A65 I80	H59-P61 VanDerWaalsContact C-CD 3.44Å; P61-A65 WeakPolarHBondContact O-CB 3.35Å; P61-A65 PolarHBondContact O-N 2.91Å; P61-I80 HydrophobicContact CG-CB 4.36Å; P61-I80 HydrophobicContact CG-CD1 4.45Å; P61-I80 HydrophobicContact CG-CG2 4.16Å
62	G	98.4	Very high	98.3	Very high	51 Å²	51	55.9 Å²	55.9	53%	0.526	32%	0.315	S	S	.	.	H	α-helix	trans	-69.2	-44.4	177.1	0	0	0	0	0	112.2	H59 T60 A64 A65 D66	H59-G62 PolarHBondContact O-N 2.95Å; T60-G62 VanDerWaalsContact C-N 3.28Å; T60-G62 PolarHBondContact O-N 3.15Å; G62-A64 VanDerWaalsContact C-N 3.33Å; G62-A64 PolarHBondContact O-N 3.35Å; G62-A65 PolarHBondContact O-N 3.34Å; G62-D66 WeakPolarHBondContact O-CB 3.41Å; G62-D66 PolarHBondContact O-N 2.9Å
63	V	98.7	Very high	98.1	Very high	13 Å²	13	64.5 Å²	64.5	8%	0.079	35%	0.347	C	S	.	.	H	α-helix	trans	-62.1	-41.7	176.9	179.8	0	0	0	0	111.2	Q37 L54 H59 T60 L67	Q37-V63 HydrophobicContact CG-CG1 4.24Å; Q37-V63 HydrophobicContact CG-CG2 4.16Å; L54-V63 HydrophobicContact CD1-CG1 4.05Å; H59-V63 PolarHBondContact O-N 2.94Å; T60-V63 PolarHBondContact O-N 3.43Å; V63-L67 HydrophobicContact CG1-CD1 4.05Å; V63-L67 WeakPolarHBondContact O-CG 3.36Å; V63-L67 PolarHBondContact O-N 2.93Å
64	A	98.8	Very high	98.1	Very high	8 Å²	8	64.4 Å²	64.4	7%	0.066	35%	0.347	C	S	.	.	H	α-helix	trans	-67	-42.1	177.5	0	0	0	0	0	112.2	L54 T60 G62 S68 V76	L54-A64 HydrophobicContact CD1-CB 4.31Å; T60-A64 WeakPolarHBondContact O-CB 3.46Å; T60-A64 PolarHBondContact O-N 3.47Å; G62-A64 VanDerWaalsContact C-N 3.33Å; G62-A64 PolarHBondContact O-N 3.35Å; A64-S68 VanDerWaalsContact O-CB 3.29Å; A64-S68 WeakPolarHBondContact O-CB 3.41Å; A64-S68 PolarHBondContact O-N 3.5Å; A64-V76 HydrophobicContact CB-CG1 4.01Å
65	A	98.8	Very high	98.1	Very high	49 Å²	49	71.2 Å²	71.2	41%	0.405	38%	0.379	S	S	.	.	H	α-helix	trans	-59.7	-47.6	175.3	0	0	0	0	0	111.5	P61 G62 S68	P61-A65 WeakPolarHBondContact O-CB 3.35Å; P61-A65 PolarHBondContact O-N 2.91Å; G62-A65 PolarHBondContact O-N 3.34Å; A65-S68 PolarHBondContact O-N 3.25Å; A65-S68 PolarHBondContact O-OG 3.04Å
66	D	98.9	Very high	98.1	Very high	108 Å²	108	71.8 Å²	71.8	58%	0.578	38%	0.383	S	S	*	.	H	α-helix	trans	-56.1	-55.6	176.9	-174.1	9.2	0	0	0	111.6	G62 S68 H69	G62-D66 WeakPolarHBondContact O-CB 3.41Å; G62-D66 PolarHBondContact O-N 2.9Å; D66-S68 PolarHBondContact O-N 3.33Å; D66-H69 PolarHBondContact O-N 3.46Å
67	L	98.8	Very high	98.1	Very high	9 Å²	9	73 Å²	73	5%	0.047	39%	0.394	C	S	.	.	H	α-helix	trans	-64.1	-26.3	-179.7	-70.9	173.4	0	0	0	113.6	L41 K44 L54 V63 H69 I70 V76	L41-L67 HydrophobicContact CB-CD2 3.98Å; L41-L67 HydrophobicContact CD1-CD2 3.89Å; K44-L67 WeakPolarHBondContact CE-O 3.45Å; L54-L67 HydrophobicContact CD1-CD1 3.62Å; V63-L67 HydrophobicContact CG1-CD1 4.05Å; V63-L67 WeakPolarHBondContact O-CG 3.36Å; V63-L67 PolarHBondContact O-N 2.93Å; L67-H69 PolarHBondContact O-N 2.8Å; L67-I70 HydrophobicContact CD2-CD1 3.75Å; L67-I70 PolarHBondContact O-N 3.48Å; L67-V76 HydrophobicContact CB-CG1 4.27Å; L67-V76 HydrophobicContact CB-CG2 4.25Å
68	S	98.7	Very high	98.1	Very high	62 Å²	62	68.3 Å²	68.3	43%	0.434	38%	0.377	S	S	.	.	H	α-helix	trans	-67	-21.7	-179.6	77.2	0	0	0	0	113.7	A64 A65 D66 I70	A64-S68 VanDerWaalsContact O-CB 3.29Å; A64-S68 WeakPolarHBondContact O-CB 3.41Å; A64-S68 PolarHBondContact O-N 3.5Å; A65-S68 PolarHBondContact O-N 3.25Å; A65-S68 PolarHBondContact O-OG 3.04Å; D66-S68 PolarHBondContact O-N 3.33Å; S68-I70 VanDerWaalsContact C-N 3.26Å; S68-I70 PolarHBondContact O-N 3.33Å
69	H	98.8	Very high	98.3	Very high	158 Å²	158	69 Å²	69	73%	0.731	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-12.9	179.1	-61.3	164.7	0	0	0	113.4	D66 L67	D66-H69 PolarHBondContact O-N 3.46Å; L67-H69 PolarHBondContact O-N 2.8Å
70	I	98.8	Very high	98.3	Very high	48 Å²	48	65 Å²	65	25%	0.246	36%	0.356	C	S	.	.	S	Bend	trans	-73.7	129.1	-178.8	-58.2	173.8	0	0	0	109.8	L41 K44 L67 S68 T72	L41-I70 HydrophobicContact CD1-CD1 3.42Å; L41-I70 VanDerWaalsContact CD1-CD1 3.42Å; K44-I70 WeakPolarHBondContact CE-O 3.29Å; K44-I70 HydrophobicContact CG-CB 4.22Å; K44-I70 HydrophobicContact CG-CD1 4.05Å; K44-I70 HydrophobicContact CG-CG2 4.43Å; K44-I70 PolarHBondContact NZ-O 2.98Å; K44-I70 VanDerWaalsContact NZ-O 3.1Å; L67-I70 HydrophobicContact CD2-CD1 3.75Å; L67-I70 PolarHBondContact O-N 3.48Å; S68-I70 VanDerWaalsContact C-N 3.26Å; S68-I70 PolarHBondContact O-N 3.33Å; I70-T72 HydrophobicContact CG2-CG2 4Å; I70-T72 PolarHBondContact O-N 3.25Å
71	E	98.3	Very high	98.3	Very high	200 Å²	200	65.7 Å²	65.7	94%	0.935	36%	0.363	S	S	*	.	S	Bend	trans	-72	50.3	-176	59.9	174.5	163.8	0	0	114.8
72	T	98	Very high	98.2	Very high	51 Å²	51	67.1 Å²	67.1	31%	0.313	37%	0.372	S	S	.	.	S	Bend	trans	-122.7	162.1	175.4	64	0	0	0	0	112.1	K44 I70 A74	K44-T72 VanDerWaalsContact CD-OG1 3.23Å; K44-T72 WeakPolarHBondContact CD-OG1 3.48Å; K44-T72 WeakPolarHBondContact CE-OG1 3.34Å; K44-T72 PolarHBondContact NZ-O 2.97Å; K44-T72 PolarHBondContact NZ-OG1 3.45Å; K44-T72 WeakPolarHBondContact O-CB 3.25Å; K44-T72 PolarHBondContact O-OG1 2.99Å; I70-T72 HydrophobicContact CG2-CG2 4Å; I70-T72 PolarHBondContact O-N 3.25Å; T72-A74 VanDerWaalsContact C-N 3.35Å; T72-A74 PolarHBondContact O-N 2.82Å
73	R	96	Very high	98.1	Very high	182 Å²	182	72.4 Å²	72.4	69%	0.687	39%	0.389	S	S	*	.	S	Bend	trans	-64.6	-31.4	-172	-64.4	-179.9	-178.9	171.4	-0.9	114.8	Q75	R73-Q75 PolarHBondContact O-N 3.29Å
74	A	97.9	Very high	98.1	Very high	2 Å²	2	75.7 Å²	75.7	2%	0.017	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-63	124.2	-173	0	0	0	0	0	111.5	K44 V49 S50 T72	K44-A74 HydrophobicContact CD-CB 4.01Å; K44-A74 PolarHBondContact NZ-O 3Å; V49-A74 HydrophobicContact CB-CB 4.29Å; V49-A74 HydrophobicContact CG1-CB 4.07Å; V49-A74 VanDerWaalsContact O-CB 3.32Å; V49-A74 WeakPolarHBondContact O-CB 3.46Å; S50-A74 CarbonylContact O-C 3.54Å; S50-A74 WeakPolarHBondContact O-CA 3.47Å; T72-A74 VanDerWaalsContact C-N 3.35Å; T72-A74 PolarHBondContact O-N 2.82Å
75	Q	98.3	Very high	98.1	Very high	143 Å²	143	76 Å²	76	67%	0.668	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.9	128	172.5	-64.6	179.2	29.6	0	0	109.5	S50 Q51 L52 R73	S50-Q75 PolarHBondContact O-N 3.36Å; Q51-Q75 CarbonylContact C-O 3.57Å; Q51-Q75 WeakPolarHBondContact CA-O 3.21Å; L52-Q75 PolarHBondContact N-O 2.9Å; R73-Q75 PolarHBondContact O-N 3.29Å
76	V	98.7	Very high	98.1	Very high	25 Å²	25	74.8 Å²	74.8	15%	0.152	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	135.2	-177.9	-173.5	0	0	0	0	109.7	K44 L52 L54 A64 L67	K44-V76 HydrophobicContact CD-CG2 3.62Å; K44-V76 HydrophobicContact CG-CG2 4.32Å; L52-V76 HydrophobicContact CB-CG2 4.46Å; L52-V76 HydrophobicContact CD2-CG2 4.5Å; L52-V76 WeakPolarHBondContact O-CA 3.47Å; L54-V76 HydrophobicContact CD1-CG1 3.7Å; L54-V76 HydrophobicContact CG-CG1 4.1Å; A64-V76 HydrophobicContact CB-CG1 4.01Å; L67-V76 HydrophobicContact CB-CG1 4.27Å; L67-V76 HydrophobicContact CB-CG2 4.25Å
77	S	98.6	Very high	98.1	Very high	53 Å²	53	72.2 Å²	72.2	37%	0.371	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	131.2	173.1	-63.1	0	0	0	0	110.1	L52 L54	L52-S77 PolarHBondContact O-N 3.14Å; L54-S77 PolarHBondContact N-O 2.93Å
78	G	98.6	Very high	98.1	Very high	27 Å²	27	71.8 Å²	71.8	28%	0.278	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	134.9	177.8	0	0	0	0	0	111.9	L54	L54-G78 CarbonylContact O-C 3.59Å
79	Y	98.8	Very high	98.1	Very high	45 Å²	45	68.8 Å²	68.8	18%	0.176	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	132.1	179.1	-58.7	-92.4	0	0	0	109.1	L54 Y55 D56 T60 Q84 A87 A88	L54-Y79 WeakPolarHBondContact O-CD2 3.43Å; L54-Y79 PolarHBondContact O-N 3.45Å; Y55-Y79 WeakPolarHBondContact CA-O 3.44Å; D56-Y79 PolarHBondContact N-O 3.38Å; T60-Y79 VanDerWaalsContact CB-O 3.29Å; T60-Y79 WeakPolarHBondContact CB-O 3.16Å; T60-Y79 WeakPolarHBondContact CG2-O 3.42Å; T60-Y79 PolarHBondContact OG1-O 3Å; T60-Y79 VanDerWaalsContact OG1-O 3.06Å; Y79-Q84 HydrophobicContact CD1-CB 4.24Å; Y79-A87 HydrophobicContact CD1-CB 4.02Å; Y79-A87 HydrophobicContact CE1-CB 3.76Å; Y79-A88 HydrophobicContact CD1-CB 4.13Å; Y79-A88 HydrophobicContact CD2-CB 3.56Å; Y79-A88 HydrophobicContact CE2-CB 4.13Å; Y79-A88 HydrophobicContact CG-CB 3.57Å
80	I	98.1	Very high	98	Very high	61 Å²	61	68.7 Å²	68.7	31%	0.313	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	130.5	-174.9	-171.4	168.6	0	0	0	111.9	D56 P61 Q84	D56-I80 WeakPolarHBondContact O-CA 3.3Å; P61-I80 HydrophobicContact CG-CB 4.36Å; P61-I80 HydrophobicContact CG-CD1 4.45Å; P61-I80 HydrophobicContact CG-CG2 4.16Å; I80-Q84 WeakPolarHBondContact O-CG 3.15Å
81	G	96.8	Very high	97.9	Very high	14 Å²	14	69.1 Å²	69.1	14%	0.144	38%	0.379	C	S	.	.	S	Bend	trans	75.3	164.9	173.9	0	0	0	0	0	114.5	Y55 D56 D83 Q84	Y55-G81 WeakPolarHBondContact CE2-O 3.32Å; D56-G81 PolarHBondContact O-N 3.39Å; G81-D83 VanDerWaalsContact C-N 3.27Å; G81-D83 PolarHBondContact O-N 3.5Å; G81-D83 VanDerWaalsContact O-N 3.14Å; G81-Q84 PolarHBondContact O-N 3.08Å; G81-Q84 VanDerWaalsContact O-N 3.09Å
82	P	95.8	Very high	97.9	Very high	100 Å²	100	60 Å²	60	65%	0.649	34%	0.337	S	S	*	.	H	α-helix	trans	-55.6	-36.9	-168.8	-27.3	35.6	0	0	0	114.7	Q84 L85	P82-Q84 PolarHBondContact O-N 3.33Å; P82-L85 WeakPolarHBondContact O-CB 3.12Å; P82-L85 PolarHBondContact O-N 3.29Å; P82-L85 VanDerWaalsContact O-N 3.17Å
83	D	97.3	Very high	98	Very high	163 Å²	163	60.2 Å²	60.2	87%	0.872	34%	0.335	S	S	*	.	H	α-helix	trans	-64.7	-23.6	-176.8	-60.1	-24.5	0	0	0	113.1	G81	G81-D83 VanDerWaalsContact C-N 3.27Å; G81-D83 PolarHBondContact O-N 3.5Å; G81-D83 VanDerWaalsContact O-N 3.14Å
84	Q	98.4	Very high	98.1	Very high	81 Å²	81	51.6 Å²	51.6	38%	0.379	30%	0.303	S	S	.	.	H	α-helix	trans	-98.7	-6.1	-179.1	-60.1	-170.7	2.9	0	0	113.3	Y79 I80 G81 P82 G86 A87 A88	Y79-Q84 HydrophobicContact CD1-CB 4.24Å; I80-Q84 WeakPolarHBondContact O-CG 3.15Å; G81-Q84 PolarHBondContact O-N 3.08Å; G81-Q84 VanDerWaalsContact O-N 3.09Å; P82-Q84 PolarHBondContact O-N 3.33Å; Q84-G86 PolarHBondContact O-N 2.78Å; Q84-A87 PolarHBondContact O-N 3.41Å; Q84-A88 PolarHBondContact O-N 2.9Å
85	L	98.6	Very high	98.2	Very high	16 Å²	16	51.5 Å²	51.5	8%	0.084	30%	0.302	C	S	.	.	H	α-helix	trans	-61.3	-44.2	-177.1	178	53.6	0	0	0	112.4	L29 Y55 P82 A87 A88 L89 L123 A126	L29-L85 HydrophobicContact CD1-CD1 4.4Å; L29-L85 HydrophobicContact CD2-CD1 3.97Å; Y55-L85 HydrophobicContact CD1-CD1 3.74Å; Y55-L85 HydrophobicContact CD2-CB 4.12Å; Y55-L85 HydrophobicContact CD2-CD1 3.85Å; Y55-L85 HydrophobicContact CE1-CD1 3.78Å; Y55-L85 HydrophobicContact CE1-CD2 4.41Å; Y55-L85 HydrophobicContact CE2-CB 3.57Å; Y55-L85 HydrophobicContact CE2-CD1 3.87Å; Y55-L85 HydrophobicContact CE2-CG 4.2Å; Y55-L85 HydrophobicContact CG-CD1 3.76Å; P82-L85 WeakPolarHBondContact O-CB 3.12Å; P82-L85 PolarHBondContact O-N 3.29Å; P82-L85 VanDerWaalsContact O-N 3.17Å; L85-A87 VanDerWaalsContact C-N 3.29Å; L85-A87 PolarHBondContact O-N 2.82Å; L85-A88 WeakPolarHBondContact O-CB 3.43Å; L85-A88 PolarHBondContact O-N 3.36Å; L85-L89 HydrophobicContact CD1-CD1 3.86Å; L85-L89 HydrophobicContact CD1-CG 4.19Å; L85-L89 HydrophobicContact CG-CD1 4.09Å; L85-L89 WeakPolarHBondContact O-CG 3.46Å; L85-L89 PolarHBondContact O-N 3.48Å; L85-L123 HydrophobicContact CD1-CD2 4.23Å; L85-L123 HydrophobicContact CD2-CD2 3.85Å; L85-A126 HydrophobicContact CD1-CB 4.47Å; L85-A126 HydrophobicContact CD2-CB 3.4Å; L85-A126 VanDerWaalsContact CD2-CB 3.4Å; L85-A126 HydrophobicContact CG-CB 3.73Å
86	G	98.4	Very high	98.2	Very high	23 Å²	23	44.7 Å²	44.7	24%	0.237	27%	0.27	C	S	.	.	H	α-helix	trans	-60.8	-39.2	177.9	0	0	0	0	0	112.6	Q84 L89 K90	Q84-G86 PolarHBondContact O-N 2.78Å; G86-L89 PolarHBondContact O-N 3.37Å; G86-K90 PolarHBondContact O-N 2.81Å; G86-K90 VanDerWaalsContact O-N 3.16Å
87	A	98.4	Very high	98.2	Very high	53 Å²	53	43.5 Å²	43.5	44%	0.438	26%	0.263	S	S	.	.	H	α-helix	trans	-66.5	-38.2	176.6	0	0	0	0	0	112.3	Y79 Q84 L85 L89	Y79-A87 HydrophobicContact CD1-CB 4.02Å; Y79-A87 HydrophobicContact CE1-CB 3.76Å; Q84-A87 PolarHBondContact O-N 3.41Å; L85-A87 VanDerWaalsContact C-N 3.29Å; L85-A87 PolarHBondContact O-N 2.82Å; A87-L89 PolarHBondContact O-N 3.26Å
88	A	98.6	Very high	98.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-58.9	-37.2	176.1	0	0	0	0	0	112.4	S53 Y79 Q84 L85 C92	S53-A88 WeakPolarHBondContact CB-O 3.33Å; S53-A88 PolarHBondContact OG-O 3.13Å; Y79-A88 HydrophobicContact CD1-CB 4.13Å; Y79-A88 HydrophobicContact CD2-CB 3.56Å; Y79-A88 HydrophobicContact CE2-CB 4.13Å; Y79-A88 HydrophobicContact CG-CB 3.57Å; Q84-A88 PolarHBondContact O-N 2.9Å; L85-A88 WeakPolarHBondContact O-CB 3.43Å; L85-A88 PolarHBondContact O-N 3.36Å; A88-C92 PolarHBondContact O-SG 3.48Å; A88-C92 VanDerWaalsContact O-SG 3.33Å
89	L	98.8	Very high	98.1	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-88.1	-23.7	-172.6	-68.7	171.3	0	0	0	114.7	A27 L29 L85 G86 A87 G91 C92 V95 A126 N130 C131	A27-L89 HydrophobicContact CB-CD2 4.38Å; L29-L89 HydrophobicContact CD1-CD2 4.11Å; L29-L89 HydrophobicContact CD2-CD2 3.97Å; L29-L89 HydrophobicContact CG-CD2 4.49Å; L85-L89 HydrophobicContact CD1-CD1 3.86Å; L85-L89 HydrophobicContact CD1-CG 4.19Å; L85-L89 HydrophobicContact CG-CD1 4.09Å; L85-L89 WeakPolarHBondContact O-CG 3.46Å; L85-L89 PolarHBondContact O-N 3.48Å; G86-L89 PolarHBondContact O-N 3.37Å; A87-L89 PolarHBondContact O-N 3.26Å; L89-G91 PolarHBondContact O-N 3.15Å; L89-G91 VanDerWaalsContact O-N 3.12Å; L89-C92 VanDerWaalsContact O-CB 3.27Å; L89-C92 WeakPolarHBondContact O-CB 3.38Å; L89-C92 PolarHBondContact O-N 3.46Å; L89-C92 PolarHBondContact O-SG 3.1Å; L89-C92 VanDerWaalsContact O-SG 3.36Å; L89-V95 HydrophobicContact CD2-CG1 4.01Å; L89-V95 HydrophobicContact CD2-CG2 3.9Å; L89-A126 HydrophobicContact CD1-CB 3.67Å; L89-N130 HydrophobicContact CB-CB 3.82Å; L89-N130 HydrophobicContact CD1-CB 4.34Å; L89-C131 WeakPolarHBondContact O-CB 3.34Å
90	K	97.9	Very high	97.7	Very high	156 Å²	156	40.6 Å²	40.6	68%	0.678	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	120.4	-172.9	-173.3	175.8	-177.3	177.7	0	111.8	K25 G86 C92	K25-K90 WeakPolarHBondContact CE-O 3.14Å; K25-K90 PolarHBondContact NZ-O 3.05Å; G86-K90 PolarHBondContact O-N 2.81Å; G86-K90 VanDerWaalsContact O-N 3.16Å; K90-C92 VanDerWaalsContact C-N 3.27Å; K90-C92 PolarHBondContact O-N 2.85Å
91	G	96.6	Very high	97.2	Very high	56 Å²	56	39.5 Å²	39.5	58%	0.577	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.1	12.5	179.4	0	0	0	0	0	114.7	L89	L89-G91 PolarHBondContact O-N 3.15Å; L89-G91 VanDerWaalsContact O-N 3.12Å
92	C	98.4	Very high	96.4	Very high	8 Å²	8	42 Å²	42	5%	0.054	26%	0.261	C	S	.	.			trans	-66.9	139	171.5	-72.5	0	0	0	0	111.2	A27 A88 L89 K90 V95 C131 A134	A27-C92 HydrophobicContact CB-CB 4.5Å; A27-C92 VanDerWaalsContact CB-SG 3.55Å; A88-C92 PolarHBondContact O-SG 3.48Å; A88-C92 VanDerWaalsContact O-SG 3.33Å; L89-C92 VanDerWaalsContact O-CB 3.27Å; L89-C92 WeakPolarHBondContact O-CB 3.38Å; L89-C92 PolarHBondContact O-N 3.46Å; L89-C92 PolarHBondContact O-SG 3.1Å; L89-C92 VanDerWaalsContact O-SG 3.36Å; K90-C92 VanDerWaalsContact C-N 3.27Å; K90-C92 PolarHBondContact O-N 2.85Å; C92-V95 HydrophobicContact CB-CG2 4Å; C92-C131 HydrophobicContact CB-CB 4.42Å; C92-A134 WeakPolarHBondContact O-CB 3.4Å
93	E	98.4	Very high	95.2	Very high	57 Å²	57	44.6 Å²	44.6	27%	0.266	26%	0.258	S	S	.	.	S	Bend	trans	-100.1	-28.8	175	-73	172.5	93.8	0	0	111.4	A24 K25 A134 M135 M265	A24-E93 VanDerWaalsContact CA-OE2 3.26Å; A24-E93 WeakPolarHBondContact CA-OE2 3.39Å; K25-E93 PolarHBondContact N-OE2 2.97Å; K25-E93 PolarHBondContact O-N 3.26Å; E93-A134 CarbonylContact O-C 3.55Å; E93-A134 WeakPolarHBondContact O-CA 3.38Å; E93-M135 PolarHBondContact O-N 3.08Å; E93-M265 HydrophobicContact CB-CE 3.86Å; E93-M265 HydrophobicContact CG-CE 4.49Å
94	V	98.9	Very high	94	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	136.2	173.1	-174.7	0	0	0	0	109.5	K25 V26 A27 V96 M135 T258 V261 L262 M265	K25-V94 PolarHBondContact O-N 2.74Å; V26-V94 CarbonylContact C-O 3.53Å; V26-V94 WeakPolarHBondContact CA-O 3.42Å; V26-V94 HydrophobicContact CG1-CB 4.45Å; V26-V94 HydrophobicContact CG2-CB 4.32Å; A27-V94 PolarHBondContact N-O 3.29Å; V94-V96 HydrophobicContact CG1-CG2 4.25Å; V94-M135 CarbonylContact C-O 3.49Å; V94-M135 WeakPolarHBondContact CA-O 3.45Å; V94-M135 HydrophobicContact CG1-CB 4.34Å; V94-M135 HydrophobicContact CG2-CB 4.19Å; V94-M135 HydrophobicContact CG2-CG 4.4Å; V94-T258 HydrophobicContact CG1-CG2 4.15Å; V94-V261 HydrophobicContact CG2-CG1 4.11Å; V94-L262 HydrophobicContact CG2-CD2 3.68Å; V94-L262 HydrophobicContact CG2-CG 4.41Å; V94-M265 HydrophobicContact CG2-SD 3.85Å
95	V	98.9	Very high	92.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	120.2	175.3	-176.4	0	0	0	0	108.7	A27 L29 L89 C92 I97 A134 M135 C137	A27-V95 HydrophobicContact CB-CG1 4.36Å; A27-V95 HydrophobicContact CB-CG2 4.34Å; A27-V95 WeakPolarHBondContact O-CA 3.44Å; L29-V95 HydrophobicContact CD1-CG1 3.72Å; L29-V95 HydrophobicContact CD2-CG1 4.46Å; L29-V95 HydrophobicContact CG-CG1 3.77Å; L89-V95 HydrophobicContact CD2-CG1 4.01Å; L89-V95 HydrophobicContact CD2-CG2 3.9Å; C92-V95 HydrophobicContact CB-CG2 4Å; V95-I97 HydrophobicContact CG1-CD1 4.38Å; V95-I97 HydrophobicContact CG1-CG1 4.01Å; V95-A134 HydrophobicContact CG2-CB 3.95Å; V95-M135 PolarHBondContact N-O 3.38Å; V95-C137 PolarHBondContact O-N 3Å
96	V	98.9	Very high	91.5	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	126.3	177.5	-165	0	0	0	0	109.2	V26 A27 V28 L29 L39 V94 P98 C137 I139 T258	V26-V96 HydrophobicContact CG1-CG2 4.31Å; A27-V96 PolarHBondContact O-N 2.93Å; V28-V96 WeakPolarHBondContact CA-O 3.3Å; L29-V96 PolarHBondContact N-O 3.15Å; L39-V96 HydrophobicContact CD2-CB 4.36Å; L39-V96 HydrophobicContact CD2-CG1 3.76Å; V94-V96 HydrophobicContact CG1-CG2 4.25Å; V96-P98 VanDerWaalsContact C-CD 3.42Å; V96-P98 WeakPolarHBondContact O-CD 3.46Å; V96-C137 WeakPolarHBondContact CA-O 3.4Å; V96-C137 HydrophobicContact CG1-CB 4.26Å; V96-C137 HydrophobicContact CG2-CB 4.36Å; V96-I139 HydrophobicContact CG1-CD1 3.58Å; V96-I139 HydrophobicContact CG1-CG1 4.29Å; V96-T258 HydrophobicContact CG2-CG2 4.15Å; V96-T258 WeakPolarHBondContact CG2-OG1 3.43Å
97	I	98.9	Very high	90.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	82.4	-173.4	-46.8	-172.7	0	0	0	110.4	L29 V95 A99 L123 I136 C137 I138 I139 A140	L29-I97 HydrophobicContact CB-CG1 4.38Å; L29-I97 HydrophobicContact CB-CG2 4.34Å; L29-I97 HydrophobicContact CD1-CD1 4.02Å; L29-I97 HydrophobicContact CD1-CG1 4.06Å; L29-I97 HydrophobicContact CG-CG1 4.36Å; V95-I97 HydrophobicContact CG1-CD1 4.38Å; V95-I97 HydrophobicContact CG1-CG1 4.01Å; I97-A99 VanDerWaalsContact C-N 3.29Å; I97-A99 HydrophobicContact CG2-CB 4.14Å; I97-L123 HydrophobicContact CD1-CB 4.28Å; I97-L123 HydrophobicContact CG2-CD1 3.65Å; I97-I136 HydrophobicContact CD1-CG2 4.16Å; I97-C137 PolarHBondContact N-O 3.19Å; I97-I138 HydrophobicContact CB-CD1 4Å; I97-I138 HydrophobicContact CD1-CD1 3.52Å; I97-I138 HydrophobicContact CG1-CD1 3.97Å; I97-I139 PolarHBondContact O-N 2.83Å; I97-A140 PolarHBondContact O-N 3.37Å
98	P	98.3	Very high	89.4	Confident	13 Å²	13	50 Å²	50	8%	0.084	30%	0.3	C	S	.	.			trans	-78.2	-9.6	165.9	33.6	-38.3	0	0	0	113.8	V28 L29 I35 L39 V96 G100 I139	V28-P98 HydrophobicContact CG1-CG 3.83Å; L29-P98 WeakPolarHBondContact O-CD 3.48Å; I35-P98 HydrophobicContact CB-CB 4.04Å; I35-P98 HydrophobicContact CG2-CB 3.78Å; L39-P98 HydrophobicContact CD2-CG 4.23Å; V96-P98 VanDerWaalsContact C-CD 3.42Å; V96-P98 WeakPolarHBondContact O-CD 3.46Å; P98-G100 PolarHBondContact O-N 2.99Å; P98-I139 HydrophobicContact CB-CB 4.41Å; P98-I139 HydrophobicContact CB-CD1 4.48Å; P98-I139 HydrophobicContact CB-CG2 4.43Å
99	A	96.7	Very high	88.5	Confident	15 Å²	15	59.8 Å²	59.8	12%	0.124	34%	0.337	C	S	.	.			trans	-52.9	121.7	-178.3	0	0	0	0	0	112.5	L29 I97 I119 L123 A140	L29-A99 WeakPolarHBondContact O-CB 3.19Å; L29-A99 PolarHBondContact O-N 3.28Å; I97-A99 VanDerWaalsContact C-N 3.29Å; I97-A99 HydrophobicContact CG2-CB 4.14Å; A99-I119 HydrophobicContact CB-CG2 3.95Å; A99-L123 HydrophobicContact CB-CD1 3.52Å; A99-A140 WeakPolarHBondContact O-CB 3.33Å
100	G	91.1	Very high	87.7	Confident	36 Å²	36	64 Å²	64	37%	0.371	36%	0.359	S	S	.	.			trans	177.2	157.7	177.6	0	0	0	0	0	109.8	P98 N116	P98-G100 PolarHBondContact O-N 2.99Å; G100-N116 WeakPolarHBondContact CA-OD1 3.46Å
101	V	86.2	Confident	87.2	Confident	39 Å²	39	60.1 Å²	60.1	24%	0.236	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-87.5	130.8	176.3	-176.1	0	0	0	0	107.9	M107 L112 T115 N116 I119	V101-M107 HydrophobicContact CG1-CE 4.45Å; V101-L112 WeakPolarHBondContact O-CD1 3.29Å; V101-T115 HydrophobicContact CB-CG2 4.14Å; V101-T115 HydrophobicContact CG2-CG2 3.63Å; V101-N116 PolarHBondContact N-OD1 2.78Å; V101-N116 PolarHBondContact O-ND2 2.89Å; V101-I119 HydrophobicContact CG2-CD1 3.99Å
102	P	80.1	Confident	86.8	Confident	67 Å²	67	59 Å²	59	44%	0.435	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-69	153.7	169.6	29.9	-34.4	0	0	0	109.7	K104	P102-K104 PolarHBondContact O-N 2.79Å; P102-K104 VanDerWaalsContact O-N 3.12Å
103	R	71.3	Confident	86.5	Confident	154 Å²	154	59 Å²	59	58%	0.581	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-58.1	121.3	175.5	-168.6	175.3	-177.4	-162.1	-2.8	110.1	L112	R103-L112 HydrophobicContact CB-CD2 4.02Å; R103-L112 HydrophobicContact CG-CD2 4.34Å
104	K	71.3	Confident	86.3	Confident	125 Å²	125	59.8 Å²	59.8	54%	0.543	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-97.8	153.8	174.4	-65.8	-175.5	-178.6	179.6	0	110.8	P102 G106 M107	P102-K104 PolarHBondContact O-N 2.79Å; P102-K104 VanDerWaalsContact O-N 3.12Å; K104-G106 PolarHBondContact O-N 2.99Å; K104-M107 WeakPolarHBondContact O-CB 3.45Å; K104-M107 PolarHBondContact O-N 2.93Å; K104-M107 VanDerWaalsContact O-N 3.16Å
105	P	69.4	Low	86.1	Confident	130 Å²	130	62.3 Å²	62.3	84%	0.844	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	135.8	169.1	-25.9	34.9	0	0	0	111.3	M107	P105-M107 VanDerWaalsContact C-N 3.31Å; P105-M107 PolarHBondContact O-N 2.86Å
106	G	75	Confident	85.9	Confident	84 Å²	84	62.5 Å²	62.5	87%	0.866	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	84	-11.6	-178.6	0	0	0	0	0	116	K104	K104-G106 PolarHBondContact O-N 2.99Å
107	M	75.5	Confident	85.8	Confident	40 Å²	40	62.5 Å²	62.5	20%	0.197	35%	0.348	C	S	.	.			trans	-80.6	128.5	178.5	-167.6	177.3	-82.4	0	0	111.6	V101 K104 P105 D111 L112	V101-M107 HydrophobicContact CG1-CE 4.45Å; K104-M107 WeakPolarHBondContact O-CB 3.45Å; K104-M107 PolarHBondContact O-N 2.93Å; K104-M107 VanDerWaalsContact O-N 3.16Å; P105-M107 VanDerWaalsContact C-N 3.31Å; P105-M107 PolarHBondContact O-N 2.86Å; M107-D111 HydrophobicContact CG-CB 3.6Å; M107-L112 HydrophobicContact CG-CB 4.29Å; M107-L112 HydrophobicContact SD-CB 3.82Å; M107-L112 HydrophobicContact SD-CD1 3.85Å; M107-L112 HydrophobicContact SD-CG 4.44Å
108	T	78.9	Confident	85.7	Confident	71 Å²	71	65.4 Å²	65.4	44%	0.436	37%	0.366	S	S	.	.			trans	-73.2	166	173.7	73	0	0	0	0	111.1	D110 D111 L112	T108-D110 PolarHBondContact O-N 3.25Å; T108-D110 PolarHBondContact OG1-N 2.98Å; T108-D111 WeakPolarHBondContact CB-OD2 3.42Å; T108-D111 WeakPolarHBondContact CG2-OD2 3.46Å; T108-D111 PolarHBondContact N-OD2 3.18Å; T108-D111 PolarHBondContact O-N 3.41Å; T108-D111 PolarHBondContact OG1-N 3.34Å; T108-D111 PolarHBondContact OG1-OD2 3.12Å; T108-L112 PolarHBondContact O-N 3.4Å
109	R	79	Confident	85.7	Confident	205 Å²	205	67.1 Å²	67.1	77%	0.774	37%	0.374	S	S	*	.	H	α-helix	trans	-61.6	-33.7	173.5	-72.1	-178.2	174.9	174.6	-2.5	111.6	F113	R109-F113 PolarHBondContact O-N 3.24Å; R109-F113 VanDerWaalsContact O-N 3.13Å
110	D	83.1	Confident	85.8	Confident	89 Å²	89	66.4 Å²	66.4	48%	0.476	37%	0.368	S	S	.	.	H	α-helix	trans	-76.4	-37.7	-179.8	-77.3	-10.5	0	0	0	112.4	T108 L112 F113 N114 K328	T108-D110 PolarHBondContact O-N 3.25Å; T108-D110 PolarHBondContact OG1-N 2.98Å; D110-L112 VanDerWaalsContact C-N 3.33Å; D110-L112 PolarHBondContact O-N 3.29Å; D110-F113 WeakPolarHBondContact O-CB 3.46Å; D110-F113 PolarHBondContact O-N 3.09Å; D110-N114 PolarHBondContact O-N 3.38Å; D110-N114 PolarHBondContact O-ND2 2.96Å; D110-K328 IonicContact OD1-NZ 3.8Å; D110-K328 PolarHBondContact OD1-NZ 3.09Å
111	D	86.9	Confident	86.2	Confident	73 Å²	73	64.7 Å²	64.7	39%	0.39	35%	0.35	S	S	.	.	H	α-helix	trans	-61.4	-44.2	174.6	-60.7	-37.3	0	0	0	111.4	M107 T108 F113 N114 T115	M107-D111 HydrophobicContact CG-CB 3.6Å; T108-D111 WeakPolarHBondContact CB-OD2 3.42Å; T108-D111 WeakPolarHBondContact CG2-OD2 3.46Å; T108-D111 PolarHBondContact N-OD2 3.18Å; T108-D111 PolarHBondContact O-N 3.41Å; T108-D111 PolarHBondContact OG1-N 3.34Å; T108-D111 PolarHBondContact OG1-OD2 3.12Å; D111-F113 VanDerWaalsContact C-N 3.33Å; D111-F113 PolarHBondContact O-N 3.21Å; D111-N114 PolarHBondContact O-N 3.27Å; D111-T115 WeakPolarHBondContact O-CB 3.33Å; D111-T115 PolarHBondContact O-N 3.43Å; D111-T115 PolarHBondContact O-OG1 2.72Å
112	L	86.9	Confident	86.8	Confident	32 Å²	32	67.1 Å²	67.1	17%	0.168	36%	0.362	C	S	.	.	H	α-helix	trans	-61.3	-44.6	176.5	-179.2	62.8	0	0	0	111	V101 R103 M107 T108 D110 N116	V101-L112 WeakPolarHBondContact O-CD1 3.29Å; R103-L112 HydrophobicContact CB-CD2 4.02Å; R103-L112 HydrophobicContact CG-CD2 4.34Å; M107-L112 HydrophobicContact CG-CB 4.29Å; M107-L112 HydrophobicContact SD-CB 3.82Å; M107-L112 HydrophobicContact SD-CD1 3.85Å; M107-L112 HydrophobicContact SD-CG 4.44Å; T108-L112 PolarHBondContact O-N 3.4Å; D110-L112 VanDerWaalsContact C-N 3.33Å; D110-L112 PolarHBondContact O-N 3.29Å; L112-N116 PolarHBondContact O-N 3.28Å
113	F	93.3	Very high	87.6	Confident	8 Å²	8	64.4 Å²	64.4	4%	0.035	34%	0.344	C	S	.	.	H	α-helix	trans	-59	-54.3	174.8	167.7	-96.8	0	0	0	111.3	R109 D110 D111 T115 N116 A117 P142 I149 K328 F332	R109-F113 PolarHBondContact O-N 3.24Å; R109-F113 VanDerWaalsContact O-N 3.13Å; D110-F113 WeakPolarHBondContact O-CB 3.46Å; D110-F113 PolarHBondContact O-N 3.09Å; D111-F113 VanDerWaalsContact C-N 3.33Å; D111-F113 PolarHBondContact O-N 3.21Å; F113-T115 VanDerWaalsContact C-N 3.29Å; F113-T115 PolarHBondContact O-N 3.01Å; F113-N116 PolarHBondContact O-N 3.29Å; F113-A117 HydrophobicContact CE1-CB 4.24Å; F113-A117 HydrophobicContact CE2-CB 4.18Å; F113-A117 HydrophobicContact CZ-CB 4.01Å; F113-A117 WeakPolarHBondContact O-CB 3.26Å; F113-A117 PolarHBondContact O-N 3.22Å; F113-P142 HydrophobicContact CD2-CG 3.86Å; F113-I149 HydrophobicContact CE2-CD1 4.15Å; F113-I149 HydrophobicContact CZ-CD1 4.23Å; F113-K328 HydrophobicContact CD1-CD 4.02Å; F113-K328 HydrophobicContact CD1-CG 4.38Å; F113-K328 HydrophobicContact CD2-CD 4.18Å; F113-K328 HydrophobicContact CE1-CD 3.95Å; F113-K328 HydrophobicContact CE1-CG 3.81Å; F113-K328 HydrophobicContact CE2-CD 4.13Å; F113-K328 HydrophobicContact CE2-CG 4.22Å; F113-K328 HydrophobicContact CG-CD 4.13Å; F113-K328 HydrophobicContact CZ-CB 4.49Å; F113-K328 HydrophobicContact CZ-CD 4.01Å; F113-K328 HydrophobicContact CZ-CG 3.71Å; F113-F332 HydrophobicContact CE1-CB 4.47Å; F113-F332 HydrophobicContact CE1-CD2 4.27Å; F113-F332 HydrophobicContact CZ-CB 4.17Å; F113-F332 HydrophobicContact CZ-CG 4.49Å
114	N	93.8	Very high	89	Confident	75 Å²	75	57.1 Å²	57.1	40%	0.401	32%	0.316	S	S	.	.	H	α-helix	trans	-60.6	-39.6	-176.2	-71.4	-33.8	0	0	0	112.1	D110 D111 T118	D110-N114 PolarHBondContact O-N 3.38Å; D110-N114 PolarHBondContact O-ND2 2.96Å; D111-N114 PolarHBondContact O-N 3.27Å; N114-T118 WeakPolarHBondContact O-CB 3.15Å; N114-T118 PolarHBondContact O-N 2.74Å; N114-T118 PolarHBondContact O-OG1 3.18Å
115	T	94.5	Very high	90.3	Very high	52 Å²	52	53 Å²	53	32%	0.319	30%	0.3	S	S	.	.	H	α-helix	trans	-61.5	-54.5	176.7	-57.9	0	0	0	0	110.8	V101 D111 F113 A117 T118 I119	V101-T115 HydrophobicContact CB-CG2 4.14Å; V101-T115 HydrophobicContact CG2-CG2 3.63Å; D111-T115 WeakPolarHBondContact O-CB 3.33Å; D111-T115 PolarHBondContact O-N 3.43Å; D111-T115 PolarHBondContact O-OG1 2.72Å; F113-T115 VanDerWaalsContact C-N 3.29Å; F113-T115 PolarHBondContact O-N 3.01Å; T115-A117 PolarHBondContact O-N 2.9Å; T115-T118 PolarHBondContact O-N 2.64Å; T115-I119 HydrophobicContact CG2-CD1 4.14Å; T115-I119 WeakPolarHBondContact O-CG1 3.2Å; T115-I119 PolarHBondContact O-N 3.47Å; T115-I119 VanDerWaalsContact O-N 3.13Å
116	N	95.5	Very high	91.7	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-72	-31	-177.5	-70.1	-10.2	0	0	0	112.4	G100 V101 L112 F113 T118 I119 V120 N141	G100-N116 WeakPolarHBondContact CA-OD1 3.46Å; V101-N116 PolarHBondContact N-OD1 2.78Å; V101-N116 PolarHBondContact O-ND2 2.89Å; L112-N116 PolarHBondContact O-N 3.28Å; F113-N116 PolarHBondContact O-N 3.29Å; N116-T118 VanDerWaalsContact C-N 3.35Å; N116-I119 PolarHBondContact O-N 2.96Å; N116-V120 WeakPolarHBondContact O-CB 3.26Å; N116-V120 VanDerWaalsContact O-CG2 3.32Å; N116-V120 WeakPolarHBondContact O-CG2 3.4Å; N116-V120 PolarHBondContact O-N 2.91Å; N116-N141 WeakPolarHBondContact CB-O 3.33Å; N116-N141 PolarHBondContact ND2-O 3.45Å
117	A	96.9	Very high	92.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.3	-44.9	173.3	0	0	0	0	0	111.2	F113 T115 A121 I149 F332	F113-A117 HydrophobicContact CE1-CB 4.24Å; F113-A117 HydrophobicContact CE2-CB 4.18Å; F113-A117 HydrophobicContact CZ-CB 4.01Å; F113-A117 WeakPolarHBondContact O-CB 3.26Å; F113-A117 PolarHBondContact O-N 3.22Å; T115-A117 PolarHBondContact O-N 2.9Å; A117-A121 VanDerWaalsContact O-CB 3.25Å; A117-A121 WeakPolarHBondContact O-CB 3.5Å; A117-A121 PolarHBondContact O-N 2.85Å; A117-I149 HydrophobicContact CB-CD1 3.48Å; A117-I149 VanDerWaalsContact CB-CD1 3.48Å; A117-F332 HydrophobicContact CB-CD1 3.9Å; A117-F332 HydrophobicContact CB-CD2 3.98Å; A117-F332 HydrophobicContact CB-CE1 3.71Å; A117-F332 HydrophobicContact CB-CE2 3.8Å; A117-F332 HydrophobicContact CB-CG 4.03Å; A117-F332 HydrophobicContact CB-CZ 3.67Å
118	T	97.4	Very high	93.9	Very high	62 Å²	62	41.5 Å²	41.5	38%	0.38	22%	0.215	S	C	.	.	H	α-helix	trans	-64.3	-45.3	176.4	-55.1	0	0	0	0	111.5	N114 T115 N116 A121 N122	N114-T118 WeakPolarHBondContact O-CB 3.15Å; N114-T118 PolarHBondContact O-N 2.74Å; N114-T118 PolarHBondContact O-OG1 3.18Å; T115-T118 PolarHBondContact O-N 2.64Å; N116-T118 VanDerWaalsContact C-N 3.35Å; T118-A121 PolarHBondContact O-N 2.98Å; T118-N122 VanDerWaalsContact O-CG 3.25Å; T118-N122 PolarHBondContact O-N 3.19Å; T118-N122 VanDerWaalsContact O-N 3.09Å; T118-N122 PolarHBondContact O-ND2 3.48Å
119	I	97.9	Very high	94.8	Very high	48 Å²	48	45.9 Å²	45.9	25%	0.246	22%	0.223	C	C	.	.	H	α-helix	trans	-58.9	-52.4	177.4	-67.9	166.5	0	0	0	110.3	A99 V101 T115 N116 A121 N122 L123	A99-I119 HydrophobicContact CB-CG2 3.95Å; V101-I119 HydrophobicContact CG2-CD1 3.99Å; T115-I119 HydrophobicContact CG2-CD1 4.14Å; T115-I119 WeakPolarHBondContact O-CG1 3.2Å; T115-I119 PolarHBondContact O-N 3.47Å; T115-I119 VanDerWaalsContact O-N 3.13Å; N116-I119 PolarHBondContact O-N 2.96Å; I119-A121 PolarHBondContact O-N 3.42Å; I119-N122 PolarHBondContact O-N 3.41Å; I119-L123 HydrophobicContact CG2-CD1 3.87Å; I119-L123 HydrophobicContact CG2-CG 4.46Å; I119-L123 VanDerWaalsContact O-CG 3.31Å; I119-L123 WeakPolarHBondContact O-CG 3.43Å; I119-L123 PolarHBondContact O-N 3.48Å
120	V	98.5	Very high	95.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-63.6	-42.6	-178.2	170.7	0	0	0	0	111.4	N116 N122 L123 A124 A140 T146 I149 T150	N116-V120 WeakPolarHBondContact O-CB 3.26Å; N116-V120 VanDerWaalsContact O-CG2 3.32Å; N116-V120 WeakPolarHBondContact O-CG2 3.4Å; N116-V120 PolarHBondContact O-N 2.91Å; V120-N122 VanDerWaalsContact C-N 3.34Å; V120-N122 PolarHBondContact O-N 3.42Å; V120-L123 PolarHBondContact O-N 3.21Å; V120-A124 WeakPolarHBondContact O-CB 3.48Å; V120-A124 PolarHBondContact O-N 3.45Å; V120-A140 HydrophobicContact CG2-CB 3.43Å; V120-A140 VanDerWaalsContact CG2-CB 3.43Å; V120-T146 HydrophobicContact CB-CG2 4.36Å; V120-T146 HydrophobicContact CG2-CG2 3.85Å; V120-I149 HydrophobicContact CG1-CG2 4.23Å; V120-T150 WeakPolarHBondContact CG1-OG1 3.41Å
121	A	98.6	Very high	96.5	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.008	18%	0.183	C	C	.	.	H	α-helix	trans	-60.2	-43.7	178.9	0	0	0	0	0	111.9	A117 T118 I119 A124 D125 I149 V153 F332 M336	A117-A121 VanDerWaalsContact O-CB 3.25Å; A117-A121 WeakPolarHBondContact O-CB 3.5Å; A117-A121 PolarHBondContact O-N 2.85Å; T118-A121 PolarHBondContact O-N 2.98Å; I119-A121 PolarHBondContact O-N 3.42Å; A121-A124 PolarHBondContact O-N 2.9Å; A121-D125 VanDerWaalsContact O-CB 3.32Å; A121-D125 WeakPolarHBondContact O-CB 3.34Å; A121-D125 PolarHBondContact O-N 3.48Å; A121-I149 HydrophobicContact CB-CG2 3.82Å; A121-V153 HydrophobicContact CB-CG2 4.11Å; A121-F332 HydrophobicContact CB-CE1 4.16Å; A121-M336 HydrophobicContact CB-CE 3.74Å; A121-M336 HydrophobicContact CB-SD 3.66Å
122	N	98.4	Very high	97.1	Very high	89 Å²	89	34 Å²	34	48%	0.476	18%	0.177	S	C	.	.	H	α-helix	trans	-67	-40.4	178.5	-69.3	-15	0	0	0	112.4	T118 I119 V120 A126	T118-N122 VanDerWaalsContact O-CG 3.25Å; T118-N122 PolarHBondContact O-N 3.19Å; T118-N122 VanDerWaalsContact O-N 3.09Å; T118-N122 PolarHBondContact O-ND2 3.48Å; I119-N122 PolarHBondContact O-N 3.41Å; V120-N122 VanDerWaalsContact C-N 3.34Å; V120-N122 PolarHBondContact O-N 3.42Å; N122-A126 PolarHBondContact O-N 3.44Å; N122-A126 VanDerWaalsContact O-N 3.09Å
123	L	98.8	Very high	97.6	Very high	11 Å²	11	38 Å²	38	6%	0.058	20%	0.195	C	C	.	.	H	α-helix	trans	-70.9	-38.2	177.7	-64.3	177.8	0	0	0	111.8	L29 Y55 L85 I97 A99 I119 V120 A126 C127	L29-L123 HydrophobicContact CB-CD1 4.03Å; L29-L123 HydrophobicContact CB-CD2 4.44Å; L29-L123 HydrophobicContact CD1-CB 3.99Å; L29-L123 HydrophobicContact CD1-CD1 4.4Å; L29-L123 HydrophobicContact CD1-CD2 4.1Å; L29-L123 HydrophobicContact CD1-CG 4.38Å; Y55-L123 HydrophobicContact CD1-CD2 4.35Å; Y55-L123 HydrophobicContact CE1-CD2 3.8Å; L85-L123 HydrophobicContact CD1-CD2 4.23Å; L85-L123 HydrophobicContact CD2-CD2 3.85Å; I97-L123 HydrophobicContact CD1-CB 4.28Å; I97-L123 HydrophobicContact CG2-CD1 3.65Å; A99-L123 HydrophobicContact CB-CD1 3.52Å; I119-L123 HydrophobicContact CG2-CD1 3.87Å; I119-L123 HydrophobicContact CG2-CG 4.46Å; I119-L123 VanDerWaalsContact O-CG 3.31Å; I119-L123 WeakPolarHBondContact O-CG 3.43Å; I119-L123 PolarHBondContact O-N 3.48Å; V120-L123 PolarHBondContact O-N 3.21Å; L123-A126 PolarHBondContact O-N 3.02Å; L123-C127 PolarHBondContact O-N 3.49Å; L123-C127 PolarHBondContact O-SG 2.84Å
124	A	98.8	Very high	97.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64.4	-40.9	173.9	0	0	0	0	0	111.6	V120 A121 A126 C127 A128 T150 V153	V120-A124 WeakPolarHBondContact O-CB 3.48Å; V120-A124 PolarHBondContact O-N 3.45Å; A121-A124 PolarHBondContact O-N 2.9Å; A124-A126 VanDerWaalsContact C-N 3.33Å; A124-A126 PolarHBondContact O-N 2.87Å; A124-C127 WeakPolarHBondContact O-CB 3.41Å; A124-C127 PolarHBondContact O-N 3.23Å; A124-A128 WeakPolarHBondContact O-CB 3.15Å; A124-A128 PolarHBondContact O-N 2.82Å; A124-T150 HydrophobicContact CB-CG2 3.99Å; A124-V153 HydrophobicContact CB-CB 4.19Å; A124-V153 HydrophobicContact CB-CG1 3.98Å
125	D	98.7	Very high	98.1	Very high	38 Å²	38	34 Å²	34	20%	0.203	18%	0.175	C	C	.	.	H	α-helix	trans	-58.8	-44.9	173.5	172.2	88.9	0	0	0	111.2	A121 C127 A128 R129 V153 H157	A121-D125 VanDerWaalsContact O-CB 3.32Å; A121-D125 WeakPolarHBondContact O-CB 3.34Å; A121-D125 PolarHBondContact O-N 3.48Å; D125-C127 PolarHBondContact O-N 3.48Å; D125-A128 WeakPolarHBondContact O-CB 3.42Å; D125-A128 PolarHBondContact O-N 3.35Å; D125-R129 WeakPolarHBondContact O-CG 3.38Å; D125-R129 PolarHBondContact O-N 2.92Å; D125-R129 VanDerWaalsContact O-N 3.12Å; D125-R129 IonicContact OD1-CZ 2.68Å; D125-R129 IonicContact OD1-NE 3.66Å; D125-R129 PolarHBondContact OD1-NE 3.26Å; D125-R129 IonicContact OD1-NH2 2.96Å; D125-R129 PolarHBondContact OD1-NH2 3.02Å; D125-R129 IonicContact OD2-CZ 3.25Å; D125-R129 IonicContact OD2-NE 2.81Å; D125-R129 PolarHBondContact OD2-NE 3.42Å; D125-R129 IonicContact OD2-NH1 3.33Å; D125-R129 IonicContact OD2-NH2 2.63Å; D125-R129 PolarHBondContact OD2-NH2 3Å; D125-V153 HydrophobicContact CB-CG1 3.94Å; D125-H157 IonicContact OD1-CD2 3.45Å; D125-H157 IonicContact OD1-CE1 2.92Å; D125-H157 PolarHBondContact OD1-CE1 2.98Å; D125-H157 VanDerWaalsContact OD1-CE1 3.26Å; D125-H157 IonicContact OD1-NE2 3.42Å; D125-H157 PolarHBondContact OD1-NE2 2.67Å
126	A	98.8	Very high	98.3	Very high	9 Å²	9	31.6 Å²	31.6	7%	0.074	16%	0.16	C	C	.	.	H	α-helix	trans	-64	-40.2	175.3	0	0	0	0	0	112.5	L85 L89 N122 L123 A124 R129 N130	L85-A126 HydrophobicContact CD1-CB 4.47Å; L85-A126 HydrophobicContact CD2-CB 3.4Å; L85-A126 VanDerWaalsContact CD2-CB 3.4Å; L85-A126 HydrophobicContact CG-CB 3.73Å; L89-A126 HydrophobicContact CD1-CB 3.67Å; N122-A126 PolarHBondContact O-N 3.44Å; N122-A126 VanDerWaalsContact O-N 3.09Å; L123-A126 PolarHBondContact O-N 3.02Å; A124-A126 VanDerWaalsContact C-N 3.33Å; A124-A126 PolarHBondContact O-N 2.87Å; A126-R129 PolarHBondContact O-N 2.95Å; A126-N130 WeakPolarHBondContact O-CB 3.47Å; A126-N130 PolarHBondContact O-N 2.96Å; A126-N130 PolarHBondContact O-ND2 2.89Å
127	C	98.9	Very high	98.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.4	-46.7	174.4	-65.1	0	0	0	0	111.2	L123 A124 D125 R129 N130 C131 I136	L123-C127 PolarHBondContact O-N 3.49Å; L123-C127 PolarHBondContact O-SG 2.84Å; A124-C127 WeakPolarHBondContact O-CB 3.41Å; A124-C127 PolarHBondContact O-N 3.23Å; D125-C127 PolarHBondContact O-N 3.48Å; C127-R129 PolarHBondContact O-N 3.14Å; C127-N130 PolarHBondContact O-N 3.43Å; C127-C131 CarbonylContact O-C 3.6Å; C127-C131 PolarHBondContact O-N 3.32Å; C127-I136 HydrophobicContact CB-CD1 4.02Å
128	A	98.7	Very high	98.6	Very high	5 Å²	5	31.4 Å²	31.4	4%	0.041	16%	0.159	C	C	.	.	H	α-helix	trans	-56.6	-39.2	178.9	0	0	0	0	0	112.3	A124 D125 M154 H157 V159	A124-A128 WeakPolarHBondContact O-CB 3.15Å; A124-A128 PolarHBondContact O-N 2.82Å; D125-A128 WeakPolarHBondContact O-CB 3.42Å; D125-A128 PolarHBondContact O-N 3.35Å; A128-M154 HydrophobicContact CB-SD 3.6Å; A128-H157 HydrophobicContact CB-CB 3.82Å; A128-V159 HydrophobicContact CB-CG2 3.81Å
129	R	98.6	Very high	98.6	Very high	163 Å²	163	28.7 Å²	28.7	62%	0.615	14%	0.142	S	C	*	.	H	α-helix	trans	-79.9	-31	-179	-65.1	175.5	-162.6	-164.5	4.5	114.3	D125 A126 C127 H157	D125-R129 WeakPolarHBondContact O-CG 3.38Å; D125-R129 PolarHBondContact O-N 2.92Å; D125-R129 VanDerWaalsContact O-N 3.12Å; D125-R129 IonicContact OD1-CZ 2.68Å; D125-R129 IonicContact OD1-NE 3.66Å; D125-R129 PolarHBondContact OD1-NE 3.26Å; D125-R129 IonicContact OD1-NH2 2.96Å; D125-R129 PolarHBondContact OD1-NH2 3.02Å; D125-R129 IonicContact OD2-CZ 3.25Å; D125-R129 IonicContact OD2-NE 2.81Å; D125-R129 PolarHBondContact OD2-NE 3.42Å; D125-R129 IonicContact OD2-NH1 3.33Å; D125-R129 IonicContact OD2-NH2 2.63Å; D125-R129 PolarHBondContact OD2-NH2 3Å; A126-R129 PolarHBondContact O-N 2.95Å; C127-R129 PolarHBondContact O-N 3.14Å; R129-H157 PolarHBondContact NE-CE1 3.36Å
130	N	98.8	Very high	98.6	Very high	67 Å²	67	26.5 Å²	26.5	36%	0.358	13%	0.131	S	C	.	.	H	α-helix	trans	-114.4	-24.5	-166.5	-64.6	-83.5	0	0	0	114.5	L89 A126 C127	L89-N130 HydrophobicContact CB-CB 3.82Å; L89-N130 HydrophobicContact CD1-CB 4.34Å; A126-N130 WeakPolarHBondContact O-CB 3.47Å; A126-N130 PolarHBondContact O-N 2.96Å; A126-N130 PolarHBondContact O-ND2 2.89Å; C127-N130 PolarHBondContact O-N 3.43Å
131	C	98.6	Very high	98.4	Very high	8 Å²	8	29.7 Å²	29.7	5%	0.054	15%	0.148	C	C	.	.			trans	-151.4	58.7	179.5	60.8	0	0	0	0	111.6	L89 C92 C127 E133 A134	L89-C131 WeakPolarHBondContact O-CB 3.34Å; C92-C131 HydrophobicContact CB-CB 4.42Å; C127-C131 CarbonylContact O-C 3.6Å; C127-C131 PolarHBondContact O-N 3.32Å; C131-E133 PolarHBondContact O-N 2.85Å; C131-E133 VanDerWaalsContact O-N 3.08Å; C131-A134 HydrophobicContact CB-CB 4.1Å; C131-A134 WeakPolarHBondContact O-CB 3.35Å; C131-A134 PolarHBondContact O-N 3.44Å
132	P	98.5	Very high	98.3	Very high	41 Å²	41	31.6 Å²	31.6	27%	0.266	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-25.5	-172.7	22.6	-33.9	0	0	0	114.3	V159	P132-V159 HydrophobicContact CB-CB 3.77Å; P132-V159 HydrophobicContact CB-CG1 3.91Å; P132-V159 HydrophobicContact CB-CG2 4.03Å
133	E	98.3	Very high	98.2	Very high	116 Å²	116	27.4 Å²	27.4	54%	0.542	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-2.7	-179.4	-63.1	-56.7	136.7	0	0	114.1	C131 R164	C131-E133 PolarHBondContact O-N 2.85Å; C131-E133 VanDerWaalsContact O-N 3.08Å; E133-R164 WeakPolarHBondContact O-CD 3.43Å; E133-R164 PolarHBondContact O-NH1 2.89Å; E133-R164 IonicContact OE2-NE 3.17Å
134	A	98.8	Very high	98.2	Very high	1 Å²	1	27 Å²	27	1%	0.008	14%	0.136	C	C	.	.	S	Bend	trans	-67.2	150.9	-179.7	0	0	0	0	0	111.8	C92 E93 V95 C131 I136	C92-A134 WeakPolarHBondContact O-CB 3.4Å; E93-A134 CarbonylContact O-C 3.55Å; E93-A134 WeakPolarHBondContact O-CA 3.38Å; V95-A134 HydrophobicContact CG2-CB 3.95Å; C131-A134 HydrophobicContact CB-CB 4.1Å; C131-A134 WeakPolarHBondContact O-CB 3.35Å; C131-A134 PolarHBondContact O-N 3.44Å; A134-I136 PolarHBondContact O-N 2.95Å
135	M	98.9	Very high	98.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	117.2	165	-54	-59.5	174.9	0	0	108.7	E93 V94 V95 R164 F166 V261 M265 N296	E93-M135 PolarHBondContact O-N 3.08Å; V94-M135 CarbonylContact C-O 3.49Å; V94-M135 WeakPolarHBondContact CA-O 3.45Å; V94-M135 HydrophobicContact CG1-CB 4.34Å; V94-M135 HydrophobicContact CG2-CB 4.19Å; V94-M135 HydrophobicContact CG2-CG 4.4Å; V95-M135 PolarHBondContact N-O 3.38Å; M135-R164 HydrophobicContact CE-CG 4.39Å; M135-R164 VanDerWaalsContact CE-NH1 3.29Å; M135-R164 HydrophobicContact SD-CB 3.91Å; M135-R164 HydrophobicContact SD-CG 3.7Å; M135-F166 HydrophobicContact CB-CE2 4.2Å; M135-F166 HydrophobicContact SD-CE2 4.03Å; M135-V261 HydrophobicContact CB-CG1 3.94Å; M135-V261 HydrophobicContact CG-CG1 3.73Å; M135-M265 HydrophobicContact CE-CG 4.17Å; M135-M265 HydrophobicContact CE-SD 4.07Å; M135-M265 HydrophobicContact CG-SD 3.72Å; M135-N296 VanDerWaalsContact CE-C 3.44Å
136	I	98.9	Very high	98.2	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	112.4	-177.9	-59.7	172.7	0	0	0	109	I97 C127 A134 I138 T150 M154 R164 F166	I97-I136 HydrophobicContact CD1-CG2 4.16Å; C127-I136 HydrophobicContact CB-CD1 4.02Å; A134-I136 PolarHBondContact O-N 2.95Å; I136-I138 HydrophobicContact CG2-CD1 3.55Å; I136-I138 HydrophobicContact CG2-CG1 4.15Å; I136-T150 HydrophobicContact CG2-CG2 4.13Å; I136-M154 HydrophobicContact CD1-CE 3.64Å; I136-M154 HydrophobicContact CD1-SD 3.81Å; I136-R164 PolarHBondContact N-O 3.31Å; I136-F166 PolarHBondContact O-N 3.03Å
137	C	98.9	Very high	98.2	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	102.3	-179.7	-55.6	0	0	0	0	110.4	V95 V96 I97 F166 V168 F257	V95-C137 PolarHBondContact O-N 3Å; V96-C137 WeakPolarHBondContact CA-O 3.4Å; V96-C137 HydrophobicContact CG1-CB 4.26Å; V96-C137 HydrophobicContact CG2-CB 4.36Å; I97-C137 PolarHBondContact N-O 3.19Å; C137-F166 CarbonylContact C-O 3.58Å; C137-F166 WeakPolarHBondContact CA-O 3.12Å; C137-V168 HydrophobicContact CB-CG2 3.85Å; C137-F257 HydrophobicContact CB-CD1 4.46Å; C137-F257 HydrophobicContact CB-CE1 4.49Å
138	I	98.9	Very high	98.2	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	119.1	-178.6	-52	-59.8	0	0	0	110.2	I97 I136 A140 I147 T150 F166 V168	I97-I138 HydrophobicContact CB-CD1 4Å; I97-I138 HydrophobicContact CD1-CD1 3.52Å; I97-I138 HydrophobicContact CG1-CD1 3.97Å; I136-I138 HydrophobicContact CG2-CD1 3.55Å; I136-I138 HydrophobicContact CG2-CG1 4.15Å; I138-A140 HydrophobicContact CG2-CB 4.15Å; I138-I147 HydrophobicContact CB-CD1 3.83Å; I138-I147 HydrophobicContact CB-CG1 4.44Å; I138-I147 HydrophobicContact CG1-CD1 3.66Å; I138-T150 HydrophobicContact CD1-CG2 4.24Å; I138-T150 HydrophobicContact CG1-CG2 4.41Å; I138-F166 PolarHBondContact N-O 3.42Å; I138-V168 PolarHBondContact O-N 2.79Å
139	I	98.6	Very high	98.2	Very high	5 Å²	5	24.8 Å²	24.8	3%	0.026	12%	0.122	C	C	.	.			trans	-103.5	-24.6	170.2	-64.5	170.9	0	0	0	110.4	I35 L39 V96 I97 P98 N141 V168 M250	I35-I139 HydrophobicContact CD1-CG2 4.22Å; L39-I139 HydrophobicContact CD2-CD1 4.16Å; V96-I139 HydrophobicContact CG1-CD1 3.58Å; V96-I139 HydrophobicContact CG1-CG1 4.29Å; I97-I139 PolarHBondContact O-N 2.83Å; P98-I139 HydrophobicContact CB-CB 4.41Å; P98-I139 HydrophobicContact CB-CD1 4.48Å; P98-I139 HydrophobicContact CB-CG2 4.43Å; I139-N141 PolarHBondContact O-N 2.82Å; I139-V168 HydrophobicContact CG1-CB 3.84Å; I139-V168 HydrophobicContact CG1-CG1 4.23Å; I139-V168 HydrophobicContact CG1-CG2 3.86Å; I139-M250 HydrophobicContact CD1-CE 4.34Å; I139-M250 HydrophobicContact CG1-CE 4.22Å; I139-M250 HydrophobicContact CG2-CE 3.96Å; I139-M250 HydrophobicContact CG2-CG 3.89Å; I139-M250 HydrophobicContact CG2-SD 4.15Å
140	A	96.8	Very high	98.2	Very high	2 Å²	2	17 Å²	17	2%	0.017	9%	0.093	C	C	.	.	S	Bend	trans	-52.1	122.7	-178.7	0	0	0	0	0	112.6	I97 A99 V120 I138 T146	I97-A140 PolarHBondContact O-N 3.37Å; A99-A140 WeakPolarHBondContact O-CB 3.33Å; V120-A140 HydrophobicContact CG2-CB 3.43Å; V120-A140 VanDerWaalsContact CG2-CB 3.43Å; I138-A140 HydrophobicContact CG2-CB 4.15Å; A140-T146 WeakPolarHBondContact O-CG2 3.48Å; A140-T146 PolarHBondContact O-OG1 2.88Å
141	N	94.1	Very high	98.2	Very high	66 Å²	66	13.9 Å²	13.9	35%	0.353	8%	0.076	S	C	.	.	S	Bend	trans	-83.7	149.3	-178.8	-88.2	-61.1	0	0	0	112.3	N116 I139	N116-N141 WeakPolarHBondContact CB-O 3.33Å; N116-N141 PolarHBondContact ND2-O 3.45Å; I139-N141 PolarHBondContact O-N 2.82Å
142	P	95.9	Very high	98.2	Very high	42 Å²	42	15.8 Å²	15.8	27%	0.273	8%	0.084	S	C	.	.	P	Polyproline II helix	cis	-83.9	121.1	-1.4	30.8	-31.7	0	0	0	112.4	F113 N144 S145 T146	F113-P142 HydrophobicContact CD2-CG 3.86Å; P142-N144 PolarHBondContact O-N 3.15Å; P142-S145 PolarHBondContact O-N 3.04Å; P142-T146 WeakPolarHBondContact O-CG2 3.46Å; P142-T146 PolarHBondContact O-N 2.91Å; P142-T146 PolarHBondContact O-OG1 2.79Å
143	V	97.9	Very high	98.3	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.006	8%	0.075	C	C	.	.	H	α-helix	trans	-54.6	-39.1	-175.4	174.8	0	0	0	0	112.7	S145 T146 I147 H199 F276	V143-S145 PolarHBondContact O-N 3.27Å; V143-T146 VanDerWaalsContact CA-OG1 3.27Å; V143-T146 WeakPolarHBondContact CA-OG1 3.38Å; V143-T146 PolarHBondContact O-N 3.01Å; V143-I147 HydrophobicContact CG1-CG1 4.12Å; V143-I147 PolarHBondContact O-N 3.48Å; V143-H199 HydrophobicContact CB-CB 4.01Å; V143-H199 HydrophobicContact CG1-CB 4.48Å; V143-H199 HydrophobicContact CG2-CB 4.5Å; V143-F276 HydrophobicContact CG1-CB 4.19Å; V143-F276 HydrophobicContact CG1-CD1 4.32Å
144	N	98.6	Very high	98.3	Very high	2 Å²	2	9 Å²	9	1%	0.011	5%	0.05	C	C	.	.	H	α-helix	trans	-58	-19.7	178.7	-64.6	-1	0	0	0	113.7	P142 G198 H199 T203	P142-N144 PolarHBondContact O-N 3.15Å; N144-G198 WeakPolarHBondContact OD1-CA 3.43Å; N144-H199 PolarHBondContact OD1-N 2.82Å; N144-T203 PolarHBondContact ND2-OG1 3.32Å; N144-T203 VanDerWaalsContact ND2-OG1 3.17Å
145	S	98.6	Very high	98.3	Very high	4 Å²	4	12.9 Å²	12.9	3%	0.028	7%	0.066	C	C	.	.	H	α-helix	trans	-115.9	-30.1	176.6	-54.6	0	0	0	0	113.6	P142 V143 I147 P148 I149 S325	P142-S145 PolarHBondContact O-N 3.04Å; V143-S145 PolarHBondContact O-N 3.27Å; S145-I147 VanDerWaalsContact C-N 3.32Å; S145-I147 PolarHBondContact O-N 3Å; S145-P148 WeakPolarHBondContact O-CD 3.48Å; S145-I149 WeakPolarHBondContact O-CD1 3.45Å; S145-I149 VanDerWaalsContact O-CG1 3.27Å; S145-I149 WeakPolarHBondContact O-CG1 3.21Å; S145-I149 PolarHBondContact O-N 3.41Å; S145-I149 VanDerWaalsContact O-N 3.07Å; S145-S325 WeakPolarHBondContact CB-O 3.18Å; S145-S325 PolarHBondContact OG-O 2.98Å
146	T	98.6	Very high	98.2	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-71.3	-25.7	-179.7	55	0	0	0	0	112.9	V120 A140 P142 V143 T150	V120-T146 HydrophobicContact CB-CG2 4.36Å; V120-T146 HydrophobicContact CG2-CG2 3.85Å; A140-T146 WeakPolarHBondContact O-CG2 3.48Å; A140-T146 PolarHBondContact O-OG1 2.88Å; P142-T146 WeakPolarHBondContact O-CG2 3.46Å; P142-T146 PolarHBondContact O-N 2.91Å; P142-T146 PolarHBondContact O-OG1 2.79Å; V143-T146 VanDerWaalsContact CA-OG1 3.27Å; V143-T146 WeakPolarHBondContact CA-OG1 3.38Å; V143-T146 PolarHBondContact O-N 3.01Å; T146-T150 WeakPolarHBondContact O-CB 3.27Å; T146-T150 PolarHBondContact O-N 3.38Å; T146-T150 PolarHBondContact O-OG1 2.9Å
147	I	98.8	Very high	98.2	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-69.8	-49.1	171.1	-74.2	-70.2	0	0	0	113.1	I138 V143 S145 I149 T150 S151 V165 G167 F276 Y286	I138-I147 HydrophobicContact CB-CD1 3.83Å; I138-I147 HydrophobicContact CB-CG1 4.44Å; I138-I147 HydrophobicContact CG1-CD1 3.66Å; V143-I147 HydrophobicContact CG1-CG1 4.12Å; V143-I147 PolarHBondContact O-N 3.48Å; S145-I147 VanDerWaalsContact C-N 3.32Å; S145-I147 PolarHBondContact O-N 3Å; I147-I149 VanDerWaalsContact C-N 3.28Å; I147-I149 PolarHBondContact O-N 3.23Å; I147-T150 PolarHBondContact O-N 2.74Å; I147-S151 WeakPolarHBondContact O-CB 3.35Å; I147-S151 PolarHBondContact O-N 2.99Å; I147-S151 PolarHBondContact O-OG 3.37Å; I147-V165 HydrophobicContact CD1-CG1 3.85Å; I147-G167 VanDerWaalsContact CD1-CA 3.45Å; I147-F276 HydrophobicContact CB-CD1 3.86Å; I147-F276 HydrophobicContact CB-CE1 4.14Å; I147-F276 HydrophobicContact CG1-CD1 4.05Å; I147-F276 HydrophobicContact CG2-CD1 3.95Å; I147-F276 HydrophobicContact CG2-CE1 4.19Å; I147-Y286 HydrophobicContact CG2-CD1 3.6Å; I147-Y286 HydrophobicContact CG2-CE1 3.92Å; I147-Y286 HydrophobicContact CG2-CG 4.41Å
148	P	98.8	Very high	98.2	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-53.4	-43.8	168.5	-26.3	28.6	0	0	0	112.9	S145 T150 S151 E152 Y286 I326 E330	S145-P148 WeakPolarHBondContact O-CD 3.48Å; P148-T150 PolarHBondContact O-N 2.99Å; P148-S151 PolarHBondContact O-N 3.42Å; P148-E152 WeakPolarHBondContact O-CG 3.36Å; P148-E152 PolarHBondContact O-N 3.39Å; P148-Y286 HydrophobicContact CB-CD2 4.45Å; P148-Y286 HydrophobicContact CB-CE2 4.01Å; P148-Y286 HydrophobicContact CG-CD2 3.89Å; P148-Y286 HydrophobicContact CG-CE2 3.95Å; P148-Y286 HydrophobicContact CG-CG 4.36Å; P148-I326 HydrophobicContact CG-CB 4.27Å; P148-I326 HydrophobicContact CG-CG1 4.16Å; P148-I326 HydrophobicContact CG-CG2 4.14Å; P148-E330 HydrophobicContact CB-CG 4.1Å
149	I	98.9	Very high	98.2	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-57.9	-51.8	176.3	-71.1	164.2	0	0	0	111	F113 A117 V120 A121 S145 I147 S151 E152 V153 G329 F332 V333	F113-I149 HydrophobicContact CE2-CD1 4.15Å; F113-I149 HydrophobicContact CZ-CD1 4.23Å; A117-I149 HydrophobicContact CB-CD1 3.48Å; A117-I149 VanDerWaalsContact CB-CD1 3.48Å; V120-I149 HydrophobicContact CG1-CG2 4.23Å; A121-I149 HydrophobicContact CB-CG2 3.82Å; S145-I149 WeakPolarHBondContact O-CD1 3.45Å; S145-I149 VanDerWaalsContact O-CG1 3.27Å; S145-I149 WeakPolarHBondContact O-CG1 3.21Å; S145-I149 PolarHBondContact O-N 3.41Å; S145-I149 VanDerWaalsContact O-N 3.07Å; I147-I149 VanDerWaalsContact C-N 3.28Å; I147-I149 PolarHBondContact O-N 3.23Å; I149-S151 VanDerWaalsContact C-N 3.28Å; I149-S151 PolarHBondContact O-N 2.96Å; I149-E152 PolarHBondContact O-N 2.84Å; I149-V153 HydrophobicContact CG2-CG2 4.49Å; I149-V153 WeakPolarHBondContact O-CG2 3.33Å; I149-V153 PolarHBondContact O-N 3.46Å; I149-G329 WeakPolarHBondContact CG1-O 3.41Å; I149-F332 HydrophobicContact CD1-CD1 4.07Å; I149-F332 HydrophobicContact CD1-CG 4.49Å; I149-F332 HydrophobicContact CG1-CD1 4.18Å; I149-V333 HydrophobicContact CB-CG2 4.05Å; I149-V333 HydrophobicContact CG1-CG2 4.07Å; I149-V333 HydrophobicContact CG2-CG2 3.79Å
150	T	98.9	Very high	98.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-57.3	-45.2	179.2	-57.9	0	0	0	0	110.6	V120 A124 I136 I138 T146 I147 P148 V153 M154 V165	V120-T150 WeakPolarHBondContact CG1-OG1 3.41Å; A124-T150 HydrophobicContact CB-CG2 3.99Å; I136-T150 HydrophobicContact CG2-CG2 4.13Å; I138-T150 HydrophobicContact CD1-CG2 4.24Å; I138-T150 HydrophobicContact CG1-CG2 4.41Å; T146-T150 WeakPolarHBondContact O-CB 3.27Å; T146-T150 PolarHBondContact O-N 3.38Å; T146-T150 PolarHBondContact O-OG1 2.9Å; I147-T150 PolarHBondContact O-N 2.74Å; P148-T150 PolarHBondContact O-N 2.99Å; T150-V153 PolarHBondContact O-N 3.12Å; T150-M154 HydrophobicContact CG2-CG 4.41Å; T150-M154 WeakPolarHBondContact O-CB 3.46Å; T150-M154 WeakPolarHBondContact O-CG 3.34Å; T150-M154 PolarHBondContact O-N 3.08Å; T150-V165 HydrophobicContact CG2-CG1 3.82Å
151	S	98.8	Very high	98.3	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.007	17%	0.172	C	C	.	.	H	α-helix	trans	-64	-45.4	-179.2	-56.5	0	0	0	0	112.2	I147 P148 I149 M154 K155 Y286	I147-S151 WeakPolarHBondContact O-CB 3.35Å; I147-S151 PolarHBondContact O-N 2.99Å; I147-S151 PolarHBondContact O-OG 3.37Å; P148-S151 PolarHBondContact O-N 3.42Å; I149-S151 VanDerWaalsContact C-N 3.28Å; I149-S151 PolarHBondContact O-N 2.96Å; S151-M154 PolarHBondContact O-N 2.67Å; S151-K155 VanDerWaalsContact O-CG 3.26Å; S151-K155 WeakPolarHBondContact O-CG 3.43Å; S151-K155 PolarHBondContact O-N 2.8Å; S151-Y286 WeakPolarHBondContact CB-OH 3.45Å; S151-Y286 WeakPolarHBondContact OG-CE1 3.31Å; S151-Y286 PolarHBondContact OG-OH 3.15Å
152	E	98.8	Very high	98.5	Very high	48 Å²	48	30.4 Å²	30.4	22%	0.224	17%	0.169	C	C	.	.	H	α-helix	trans	-67.1	-37.3	177.8	-68.1	-51.8	126.1	0	0	112.5	P148 I149 K155 K156 E330 V333	P148-E152 WeakPolarHBondContact O-CG 3.36Å; P148-E152 PolarHBondContact O-N 3.39Å; I149-E152 PolarHBondContact O-N 2.84Å; E152-K155 PolarHBondContact O-N 2.95Å; E152-K155 IonicContact OE1-NZ 3.45Å; E152-K155 PolarHBondContact OE1-NZ 3.39Å; E152-K156 PolarHBondContact O-N 3.29Å; E152-E330 HydrophobicContact CG-CB 4.46Å; E152-E330 HydrophobicContact CG-CG 4.22Å; E152-V333 HydrophobicContact CB-CB 3.81Å; E152-V333 HydrophobicContact CB-CG1 3.69Å; E152-V333 HydrophobicContact CB-CG2 4.06Å
153	V	98.8	Very high	98.6	Very high	10 Å²	10	31.8 Å²	31.8	6%	0.061	17%	0.174	C	C	.	.	H	α-helix	trans	-63.1	-48	173.5	170.8	0	0	0	0	110.6	A121 A124 D125 I149 T150 K155 K156 H157 V333	A121-V153 HydrophobicContact CB-CG2 4.11Å; A124-V153 HydrophobicContact CB-CB 4.19Å; A124-V153 HydrophobicContact CB-CG1 3.98Å; D125-V153 HydrophobicContact CB-CG1 3.94Å; I149-V153 HydrophobicContact CG2-CG2 4.49Å; I149-V153 WeakPolarHBondContact O-CG2 3.33Å; I149-V153 PolarHBondContact O-N 3.46Å; T150-V153 PolarHBondContact O-N 3.12Å; V153-K155 VanDerWaalsContact C-N 3.26Å; V153-K155 PolarHBondContact O-N 3.38Å; V153-K156 WeakPolarHBondContact O-CB 3.28Å; V153-K156 PolarHBondContact O-N 3.32Å; V153-H157 PolarHBondContact O-CD2 3.44Å; V153-H157 VanDerWaalsContact O-CD2 3.3Å; V153-H157 PolarHBondContact O-N 3.33Å; V153-V333 HydrophobicContact CG2-CG1 4.09Å; V153-V333 HydrophobicContact CG2-CG2 4.05Å
154	M	98.7	Very high	98.7	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.02	18%	0.179	C	C	.	.	H	α-helix	trans	-61	-35.5	176.9	-65.3	-74	-75.1	0	0	112	A128 I136 T150 S151 H157 G158 V159 Y160	A128-M154 HydrophobicContact CB-SD 3.6Å; I136-M154 HydrophobicContact CD1-CE 3.64Å; I136-M154 HydrophobicContact CD1-SD 3.81Å; T150-M154 HydrophobicContact CG2-CG 4.41Å; T150-M154 WeakPolarHBondContact O-CB 3.46Å; T150-M154 WeakPolarHBondContact O-CG 3.34Å; T150-M154 PolarHBondContact O-N 3.08Å; S151-M154 PolarHBondContact O-N 2.67Å; M154-H157 PolarHBondContact O-N 2.81Å; M154-G158 PolarHBondContact O-N 2.85Å; M154-V159 HydrophobicContact CE-CG2 3.99Å; M154-V159 PolarHBondContact O-N 3.28Å; M154-V159 VanDerWaalsContact O-N 3.15Å; M154-V159 HydrophobicContact SD-CG2 4.22Å; M154-Y160 HydrophobicContact CB-CD2 3.92Å; M154-Y160 HydrophobicContact CB-CG 4.4Å; M154-Y160 PolarHBondContact O-N 3.4Å
155	K	98.6	Very high	98.7	Very high	83 Å²	83	33.2 Å²	33.2	36%	0.361	18%	0.18	S	C	.	.	H	α-helix	trans	-66.1	-42.2	174.9	-74.8	172.2	-167	171.3	0	112.2	S151 E152 V153 H157 G158 Y160	S151-K155 VanDerWaalsContact O-CG 3.26Å; S151-K155 WeakPolarHBondContact O-CG 3.43Å; S151-K155 PolarHBondContact O-N 2.8Å; E152-K155 PolarHBondContact O-N 2.95Å; E152-K155 IonicContact OE1-NZ 3.45Å; E152-K155 PolarHBondContact OE1-NZ 3.39Å; V153-K155 VanDerWaalsContact C-N 3.26Å; V153-K155 PolarHBondContact O-N 3.38Å; K155-H157 PolarHBondContact O-N 2.81Å; K155-G158 PolarHBondContact O-N 3.33Å; K155-Y160 HydrophobicContact CD-CD1 4.33Å; K155-Y160 HydrophobicContact CG-CD1 3.73Å; K155-Y160 HydrophobicContact CG-CG 3.71Å
156	K	98.1	Very high	98.7	Very high	120 Å²	120	33 Å²	33	52%	0.522	18%	0.178	S	C	.	.	H	α-helix	trans	-58.2	-31.8	175	-77.5	-174.2	173.5	-177.4	0	112.4	E152 V153 V333 M336	E152-K156 PolarHBondContact O-N 3.29Å; V153-K156 WeakPolarHBondContact O-CB 3.28Å; V153-K156 PolarHBondContact O-N 3.32Å; K156-V333 HydrophobicContact CD-CG1 4.03Å; K156-V333 PolarHBondContact NZ-O 3.18Å; K156-M336 PolarHBondContact NZ-O 3.06Å
157	H	98.3	Very high	98.7	Very high	67 Å²	67	33 Å²	33	31%	0.31	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-5.8	174.7	-76.7	-76.7	0	0	0	114.4	D125 A128 R129 V153 M154 K155 V159	D125-H157 IonicContact OD1-CD2 3.45Å; D125-H157 IonicContact OD1-CE1 2.92Å; D125-H157 PolarHBondContact OD1-CE1 2.98Å; D125-H157 VanDerWaalsContact OD1-CE1 3.26Å; D125-H157 IonicContact OD1-NE2 3.42Å; D125-H157 PolarHBondContact OD1-NE2 2.67Å; A128-H157 HydrophobicContact CB-CB 3.82Å; R129-H157 PolarHBondContact NE-CE1 3.36Å; V153-H157 PolarHBondContact O-CD2 3.44Å; V153-H157 VanDerWaalsContact O-CD2 3.3Å; V153-H157 PolarHBondContact O-N 3.33Å; M154-H157 PolarHBondContact O-N 2.81Å; K155-H157 PolarHBondContact O-N 2.81Å; H157-V159 VanDerWaalsContact C-N 3.26Å; H157-V159 HydrophobicContact CB-CG2 3.82Å; H157-V159 PolarHBondContact O-N 2.87Å
158	G	98.6	Very high	98.7	Very high	70 Å²	70	33.1 Å²	33.1	72%	0.722	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.2	16.1	-178.8	0	0	0	0	0	114.7	M154 K155	M154-G158 PolarHBondContact O-N 2.85Å; K155-G158 PolarHBondContact O-N 3.33Å
159	V	98.7	Very high	98.7	Very high	42 Å²	42	33.1 Å²	33.1	26%	0.255	18%	0.179	S	C	.	.			trans	-117.5	13.4	-174.7	-61.7	0	0	0	0	113.1	A128 P132 M154 H157 N161	A128-V159 HydrophobicContact CB-CG2 3.81Å; P132-V159 HydrophobicContact CB-CB 3.77Å; P132-V159 HydrophobicContact CB-CG1 3.91Å; P132-V159 HydrophobicContact CB-CG2 4.03Å; M154-V159 HydrophobicContact CE-CG2 3.99Å; M154-V159 PolarHBondContact O-N 3.28Å; M154-V159 VanDerWaalsContact O-N 3.15Å; M154-V159 HydrophobicContact SD-CG2 4.22Å; H157-V159 VanDerWaalsContact C-N 3.26Å; H157-V159 HydrophobicContact CB-CG2 3.82Å; H157-V159 PolarHBondContact O-N 2.87Å; V159-N161 PolarHBondContact O-N 3.41Å
160	Y	98.8	Very high	98.7	Very high	50 Å²	50	33.1 Å²	33.1	20%	0.196	18%	0.179	C	C	.	.			trans	-69.1	118.5	-177.4	177.5	-115.8	0	0	0	112.4	M154 K155 P162 V165 R278	M154-Y160 HydrophobicContact CB-CD2 3.92Å; M154-Y160 HydrophobicContact CB-CG 4.4Å; M154-Y160 PolarHBondContact O-N 3.4Å; K155-Y160 HydrophobicContact CD-CD1 4.33Å; K155-Y160 HydrophobicContact CG-CD1 3.73Å; K155-Y160 HydrophobicContact CG-CG 3.71Å; Y160-P162 HydrophobicContact CE1-CB 3.94Å; Y160-P162 HydrophobicContact CE1-CG 4.35Å; Y160-P162 WeakPolarHBondContact OH-CB 3.26Å; Y160-V165 HydrophobicContact CE2-CG2 4.24Å; Y160-R278 WeakPolarHBondContact OH-CB 3.29Å
161	N	98.8	Very high	98.7	Very high	48 Å²	48	33.4 Å²	33.4	26%	0.257	18%	0.18	S	C	.	.			trans	-116.1	111.9	166.1	-174	-22.1	0	0	0	109.6	V159 N163 R164	V159-N161 PolarHBondContact O-N 3.41Å; N161-N163 PolarHBondContact O-N 3.44Å; N161-N163 VanDerWaalsContact O-N 3.15Å; N161-N163 WeakPolarHBondContact OD1-CB 3.47Å; N161-N163 PolarHBondContact OD1-N 3.1Å; N161-R164 HydrophobicContact CB-CB 4.46Å; N161-R164 HydrophobicContact CB-CG 4.25Å; N161-R164 PolarHBondContact O-N 3.04Å; N161-R164 VanDerWaalsContact O-N 3.13Å
162	P	98.6	Very high	98.7	Very high	46 Å²	46	33.4 Å²	33.4	30%	0.299	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-62.4	-22.4	-178	26.2	-34.8	0	0	0	113.4	Y160 R164 R278	Y160-P162 HydrophobicContact CE1-CB 3.94Å; Y160-P162 HydrophobicContact CE1-CG 4.35Å; Y160-P162 WeakPolarHBondContact OH-CB 3.26Å; P162-R164 PolarHBondContact O-N 3.31Å; P162-R278 HydrophobicContact CB-CB 3.93Å; P162-R278 HydrophobicContact CB-CG 4.07Å
163	N	98.8	Very high	98.7	Very high	71 Å²	71	31.3 Å²	31.3	38%	0.38	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-79.5	-3.7	-179.1	-64	-12.1	0	0	0	113.1	N161 F166 G297 I298	N161-N163 PolarHBondContact O-N 3.44Å; N161-N163 VanDerWaalsContact O-N 3.15Å; N161-N163 WeakPolarHBondContact OD1-CB 3.47Å; N161-N163 PolarHBondContact OD1-N 3.1Å; N163-F166 VanDerWaalsContact O-CZ 3.25Å; N163-F166 WeakPolarHBondContact O-CZ 3.43Å; N163-G297 CarbonylContact O-C 3.58Å; N163-G297 VanDerWaalsContact O-CA 3.29Å; N163-G297 WeakPolarHBondContact O-CA 3.39Å; N163-I298 HydrophobicContact CB-CB 4.03Å; N163-I298 PolarHBondContact O-N 3.04Å
164	R	98.8	Very high	98.7	Very high	30 Å²	30	31.8 Å²	31.8	11%	0.113	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-119.8	3.7	-175.3	-58.4	-170.4	178.4	-108	-6	114.2	E133 M135 I136 N161 P162 N296	E133-R164 WeakPolarHBondContact O-CD 3.43Å; E133-R164 PolarHBondContact O-NH1 2.89Å; E133-R164 IonicContact OE2-NE 3.17Å; M135-R164 HydrophobicContact CE-CG 4.39Å; M135-R164 VanDerWaalsContact CE-NH1 3.29Å; M135-R164 HydrophobicContact SD-CB 3.91Å; M135-R164 HydrophobicContact SD-CG 3.7Å; I136-R164 PolarHBondContact N-O 3.31Å; N161-R164 HydrophobicContact CB-CB 4.46Å; N161-R164 HydrophobicContact CB-CG 4.25Å; N161-R164 PolarHBondContact O-N 3.04Å; N161-R164 VanDerWaalsContact O-N 3.13Å; P162-R164 PolarHBondContact O-N 3.31Å; R164-N296 PolarHBondContact NH2-OD1 3.3Å; R164-N296 VanDerWaalsContact NH2-OD1 3.09Å
165	V	98.9	Very high	98.7	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.018	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	116.7	-179.5	-178.9	0	0	0	0	109.7	I147 T150 Y160	I147-V165 HydrophobicContact CD1-CG1 3.85Å; T150-V165 HydrophobicContact CG2-CG1 3.82Å; Y160-V165 HydrophobicContact CE2-CG2 4.24Å
166	F	98.9	Very high	98.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	124.8	-170.4	-55.4	-87.6	0	0	0	111.9	M135 I136 C137 I138 N163 F257 A275 V277 L293 I298	M135-F166 HydrophobicContact CB-CE2 4.2Å; M135-F166 HydrophobicContact SD-CE2 4.03Å; I136-F166 PolarHBondContact O-N 3.03Å; C137-F166 CarbonylContact C-O 3.58Å; C137-F166 WeakPolarHBondContact CA-O 3.12Å; I138-F166 PolarHBondContact N-O 3.42Å; N163-F166 VanDerWaalsContact O-CZ 3.25Å; N163-F166 WeakPolarHBondContact O-CZ 3.43Å; F166-F257 HydrophobicContact CB-CE1 3.69Å; F166-F257 HydrophobicContact CB-CZ 3.76Å; F166-F257 HydrophobicContact CD1-CE1 4.35Å; F166-F257 AromaticContact CD1-CZ 3.78Å; F166-F257 HydrophobicContact CD1-CZ 3.78Å; F166-F257 HydrophobicContact CD2-CE1 4.5Å; F166-F257 AromaticContact CG-CE1 3.96Å; F166-F257 HydrophobicContact CG-CE1 3.96Å; F166-F257 AromaticContact CG-CZ 3.86Å; F166-F257 HydrophobicContact CG-CZ 3.86Å; F166-A275 HydrophobicContact CB-CB 4.4Å; F166-A275 HydrophobicContact CD1-CB 4.21Å; F166-V277 HydrophobicContact CD1-CG1 3.95Å; F166-L293 HydrophobicContact CE1-CD2 3.89Å; F166-L293 HydrophobicContact CZ-CD2 4.34Å; F166-I298 HydrophobicContact CD1-CG1 4.35Å; F166-I298 HydrophobicContact CE1-CD1 3.96Å; F166-I298 HydrophobicContact CE1-CG1 3.39Å; F166-I298 HydrophobicContact CZ-CG1 3.88Å
167	G	98.9	Very high	98.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	115	164.7	0	0	0	0	0	109.3	I147 T169 A275 F276	I147-G167 VanDerWaalsContact CD1-CA 3.45Å; G167-T169 PolarHBondContact O-N 2.98Å; G167-A275 WeakPolarHBondContact O-CA 3.36Å; G167-F276 WeakPolarHBondContact CA-O 3.4Å; G167-F276 PolarHBondContact N-O 2.93Å; G167-F276 PolarHBondContact O-N 3.46Å
168	V	98.9	Very high	98.8	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.012	14%	0.142	C	C	.	.			trans	-75.3	99.5	-174.9	-177.4	0	0	0	0	109.6	C137 I138 I139 M250 F257	C137-V168 HydrophobicContact CB-CG2 3.85Å; I138-V168 PolarHBondContact O-N 2.79Å; I139-V168 HydrophobicContact CG1-CB 3.84Å; I139-V168 HydrophobicContact CG1-CG1 4.23Å; I139-V168 HydrophobicContact CG1-CG2 3.86Å; V168-M250 HydrophobicContact CG1-CE 3.99Å; V168-F257 HydrophobicContact CG1-CB 4.07Å; V168-F257 HydrophobicContact CG1-CD1 4.47Å; V168-F257 HydrophobicContact CG1-CG 4.24Å; V168-F257 HydrophobicContact CG2-CD1 3.83Å; V168-F257 HydrophobicContact CG2-CE1 4.23Å; V168-F257 HydrophobicContact CG2-CG 4.39Å
169	T	98.8	Very high	98.8	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.006	11%	0.112	C	C	.	.			trans	-98.7	3.4	176.3	56.5	0	0	0	0	112.8	G167 L171 D172 I173 H199 C274 F276 S288	G167-T169 PolarHBondContact O-N 2.98Å; T169-L171 PolarHBondContact O-N 3.38Å; T169-D172 WeakPolarHBondContact O-CB 3.38Å; T169-D172 PolarHBondContact O-N 2.73Å; T169-I173 WeakPolarHBondContact O-CD1 3.46Å; T169-H199 HydrophobicContact CG2-CB 4.06Å; T169-C274 PolarHBondContact OG1-O 3.21Å; T169-F276 HydrophobicContact CG2-CB 3.82Å; T169-S288 PolarHBondContact OG1-OG 2.74Å
170	T	98.9	Very high	98.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-53.9	-27	-173.2	-46.6	0	0	0	0	114.2	D172 I173 V174 A253 R256 F257	T170-D172 PolarHBondContact O-N 3.33Å; T170-I173 PolarHBondContact O-N 3.36Å; T170-V174 HydrophobicContact CG2-CG2 4.43Å; T170-V174 WeakPolarHBondContact O-CG2 3.36Å; T170-V174 PolarHBondContact O-N 2.91Å; T170-A253 HydrophobicContact CG2-CB 4.28Å; T170-R256 HydrophobicContact CG2-CG 4.32Å; T170-F257 WeakPolarHBondContact OG1-CB 3.47Å; T170-F257 WeakPolarHBondContact OG1-CD2 3.41Å
171	L	98.8	Very high	98.8	Very high	5 Å²	5	16.9 Å²	16.9	3%	0.026	9%	0.091	C	C	.	.	H	α-helix	trans	-63.9	-31.3	177.2	-177	59	0	0	0	112.4	T169 V174 R175 A246 M250 A253	T169-L171 PolarHBondContact O-N 3.38Å; L171-V174 PolarHBondContact O-N 3.47Å; L171-R175 WeakPolarHBondContact O-CB 3.46Å; L171-R175 WeakPolarHBondContact O-CD 3.34Å; L171-R175 VanDerWaalsContact O-CG 3.3Å; L171-R175 WeakPolarHBondContact O-CG 3.4Å; L171-R175 PolarHBondContact O-N 3.48Å; L171-A246 HydrophobicContact CD2-CB 4.17Å; L171-M250 HydrophobicContact CB-CE 4.26Å; L171-M250 HydrophobicContact CB-SD 3.82Å; L171-M250 HydrophobicContact CD2-CB 4.17Å; L171-M250 HydrophobicContact CD2-SD 3.64Å; L171-M250 HydrophobicContact CG-SD 4.32Å; L171-A253 HydrophobicContact CB-CB 3.87Å; L171-A253 HydrophobicContact CD1-CB 4.2Å
172	D	98.8	Very high	98.8	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-70.9	-38.6	177.9	-55.8	-29.2	0	0	0	110.8	T169 T170 R175 A176 V195 H199 I204	T169-D172 WeakPolarHBondContact O-CB 3.38Å; T169-D172 PolarHBondContact O-N 2.73Å; T170-D172 PolarHBondContact O-N 3.33Å; D172-R175 PolarHBondContact O-N 3.42Å; D172-R175 IonicContact OD1-NH1 3.82Å; D172-A176 WeakPolarHBondContact O-CB 3.12Å; D172-A176 PolarHBondContact O-N 3.36Å; D172-V195 HydrophobicContact CB-CB 4.39Å; D172-V195 HydrophobicContact CB-CG1 3.93Å; D172-H199 VanDerWaalsContact CG-ND1 3.33Å; D172-H199 IonicContact OD1-CE1 3.8Å; D172-H199 PolarHBondContact OD1-CE1 3.24Å; D172-H199 VanDerWaalsContact OD1-CE1 3.25Å; D172-H199 IonicContact OD1-ND1 2.72Å; D172-H199 PolarHBondContact OD1-ND1 3.04Å; D172-H199 IonicContact OD2-CE1 2.9Å; D172-H199 PolarHBondContact OD2-CE1 3.25Å; D172-H199 IonicContact OD2-CG 3.62Å; D172-H199 IonicContact OD2-ND1 2.64Å; D172-H199 PolarHBondContact OD2-ND1 2.93Å; D172-I204 HydrophobicContact CB-CG2 3.9Å
173	I	98.9	Very high	98.8	Very high	4 Å²	4	22.2 Å²	22.2	2%	0.021	11%	0.113	C	C	.	.	H	α-helix	trans	-64.1	-45.1	173.4	-65.7	85.8	0	0	0	109.9	T169 T170 R175 A176 N177 V195 C274	T169-I173 WeakPolarHBondContact O-CD1 3.46Å; T170-I173 PolarHBondContact O-N 3.36Å; I173-R175 VanDerWaalsContact C-N 3.32Å; I173-R175 PolarHBondContact O-N 2.92Å; I173-A176 PolarHBondContact O-N 2.88Å; I173-N177 WeakPolarHBondContact O-CB 3.32Å; I173-N177 PolarHBondContact O-N 3.49Å; I173-N177 PolarHBondContact O-OD1 2.91Å; I173-V195 HydrophobicContact CD1-CB 3.96Å; I173-V195 HydrophobicContact CD1-CG2 4.42Å; I173-V195 HydrophobicContact CG1-CB 3.93Å; I173-V195 HydrophobicContact CG1-CG2 3.95Å; I173-C274 HydrophobicContact CD1-CB 3.68Å; I173-C274 HydrophobicContact CG1-CB 4.18Å
174	V	98.9	Very high	98.8	Very high	21 Å²	21	22.6 Å²	22.6	13%	0.127	11%	0.111	C	C	.	.	H	α-helix	trans	-58.5	-46.1	176.6	169.7	0	0	0	0	110.7	T170 L171 N177 T178 Y252 A253	T170-V174 HydrophobicContact CG2-CG2 4.43Å; T170-V174 WeakPolarHBondContact O-CG2 3.36Å; T170-V174 PolarHBondContact O-N 2.91Å; L171-V174 PolarHBondContact O-N 3.47Å; V174-N177 PolarHBondContact O-N 2.82Å; V174-T178 PolarHBondContact O-N 2.96Å; V174-T178 PolarHBondContact O-OG1 3.32Å; V174-Y252 HydrophobicContact CG1-CD1 4.24Å; V174-Y252 HydrophobicContact CG1-CE1 4.11Å; V174-Y252 HydrophobicContact CG2-CD1 4.15Å; V174-Y252 HydrophobicContact CG2-CE1 3.81Å; V174-A253 HydrophobicContact CG2-CB 4.28Å
175	R	98.8	Very high	98.7	Very high	25 Å²	25	24.6 Å²	24.6	9%	0.094	14%	0.141	C	C	.	.	H	α-helix	trans	-62.8	-47.3	176.5	-75.8	162.3	164.7	161.4	-1.5	112.4	L171 D172 I173 N177 T178 F179 A232 G233	L171-R175 WeakPolarHBondContact O-CB 3.46Å; L171-R175 WeakPolarHBondContact O-CD 3.34Å; L171-R175 VanDerWaalsContact O-CG 3.3Å; L171-R175 WeakPolarHBondContact O-CG 3.4Å; L171-R175 PolarHBondContact O-N 3.48Å; D172-R175 PolarHBondContact O-N 3.42Å; D172-R175 IonicContact OD1-NH1 3.82Å; I173-R175 VanDerWaalsContact C-N 3.32Å; I173-R175 PolarHBondContact O-N 2.92Å; R175-N177 VanDerWaalsContact C-N 3.33Å; R175-N177 PolarHBondContact O-N 2.96Å; R175-T178 PolarHBondContact O-N 2.86Å; R175-F179 HydrophobicContact CB-CD2 4.42Å; R175-F179 HydrophobicContact CB-CE2 3.97Å; R175-F179 HydrophobicContact CB-CZ 4.27Å; R175-F179 HydrophobicContact CG-CE2 4.44Å; R175-F179 HydrophobicContact CG-CZ 4.35Å; R175-F179 WeakPolarHBondContact O-CB 3.45Å; R175-F179 WeakPolarHBondContact O-CD2 3.23Å; R175-F179 WeakPolarHBondContact O-CG 3.1Å; R175-F179 PolarHBondContact O-N 3.26Å; R175-A232 HydrophobicContact CG-CB 4.27Å; R175-A232 PolarHBondContact NH2-O 3.12Å; R175-G233 VanDerWaalsContact NH2-CA 3.34Å
176	A	98.9	Very high	98.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59.1	-45.5	178.9	0	0	0	0	0	111.3	D172 I173 T178 F179 V180 V193 V195 I229	D172-A176 WeakPolarHBondContact O-CB 3.12Å; D172-A176 PolarHBondContact O-N 3.36Å; I173-A176 PolarHBondContact O-N 2.88Å; A176-T178 PolarHBondContact O-N 3.27Å; A176-F179 PolarHBondContact O-N 2.8Å; A176-V180 WeakPolarHBondContact O-CB 3.45Å; A176-V180 WeakPolarHBondContact O-CG2 3.31Å; A176-V180 PolarHBondContact O-N 2.8Å; A176-V193 HydrophobicContact CB-CB 3.87Å; A176-V193 HydrophobicContact CB-CG1 3.94Å; A176-V193 HydrophobicContact CB-CG2 4.35Å; A176-V195 HydrophobicContact CB-CG2 3.87Å; A176-I229 HydrophobicContact CB-CD1 3.77Å; A176-I229 HydrophobicContact CB-CG1 4.35Å
177	N	98.9	Very high	98.7	Very high	11 Å²	11	31.5 Å²	31.5	6%	0.059	18%	0.177	C	C	.	.	H	α-helix	trans	-60	-47.5	175.8	-66.2	-4.7	0	0	0	111.4	I173 V174 R175 A181 V191 N192 V193	I173-N177 WeakPolarHBondContact O-CB 3.32Å; I173-N177 PolarHBondContact O-N 3.49Å; I173-N177 PolarHBondContact O-OD1 2.91Å; V174-N177 PolarHBondContact O-N 2.82Å; R175-N177 VanDerWaalsContact C-N 3.33Å; R175-N177 PolarHBondContact O-N 2.96Å; N177-A181 WeakPolarHBondContact O-CB 3.26Å; N177-A181 PolarHBondContact O-N 2.68Å; N177-V191 HydrophobicContact CB-CB 4.37Å; N177-V191 HydrophobicContact CB-CG1 4.26Å; N177-V191 PolarHBondContact ND2-O 3.47Å; N177-V191 PolarHBondContact OD1-O 3.2Å; N177-N192 WeakPolarHBondContact OD1-CA 3.46Å; N177-V193 PolarHBondContact OD1-N 3.17Å
178	T	98.9	Very high	98.7	Very high	63 Å²	63	34.5 Å²	34.5	39%	0.387	20%	0.197	S	C	.	.	H	α-helix	trans	-60.8	-48.8	178.5	-61.4	0	0	0	0	112	V174 R175 A176 A181 E182	V174-T178 PolarHBondContact O-N 2.96Å; V174-T178 PolarHBondContact O-OG1 3.32Å; R175-T178 PolarHBondContact O-N 2.86Å; A176-T178 PolarHBondContact O-N 3.27Å; T178-A181 PolarHBondContact O-N 3.33Å; T178-E182 WeakPolarHBondContact O-CB 3.44Å; T178-E182 PolarHBondContact O-N 3.06Å
179	F	98.8	Very high	98.6	Very high	21 Å²	21	38.6 Å²	38.6	9%	0.092	23%	0.231	C	C	.	.	H	α-helix	trans	-72.2	-38.1	-174.8	-58.7	-22.5	0	0	0	112.6	R175 A176 A181 L183 L225 R228 I229 A232	R175-F179 HydrophobicContact CB-CD2 4.42Å; R175-F179 HydrophobicContact CB-CE2 3.97Å; R175-F179 HydrophobicContact CB-CZ 4.27Å; R175-F179 HydrophobicContact CG-CE2 4.44Å; R175-F179 HydrophobicContact CG-CZ 4.35Å; R175-F179 WeakPolarHBondContact O-CB 3.45Å; R175-F179 WeakPolarHBondContact O-CD2 3.23Å; R175-F179 WeakPolarHBondContact O-CG 3.1Å; R175-F179 PolarHBondContact O-N 3.26Å; A176-F179 PolarHBondContact O-N 2.8Å; F179-A181 VanDerWaalsContact C-N 3.35Å; F179-L183 WeakPolarHBondContact O-CG 3.47Å; F179-L183 PolarHBondContact O-N 2.9Å; F179-L183 VanDerWaalsContact O-N 3.14Å; F179-L225 HydrophobicContact CB-CD1 3.61Å; F179-R228 HydrophobicContact CD2-CG 4.16Å; F179-R228 HydrophobicContact CE2-CG 3.95Å; F179-R228 HydrophobicContact CZ-CG 4.49Å; F179-I229 HydrophobicContact CD2-CG1 3.75Å; F179-I229 HydrophobicContact CE2-CG1 4.38Å; F179-A232 HydrophobicContact CE2-CB 3.94Å; F179-A232 HydrophobicContact CZ-CB 4.08Å
180	V	98.8	Very high	98.5	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63.3	-44	172.5	168.6	0	0	0	0	110.7	A176 E182 L183 K184 V191 V193 I208 V215 F217 L225	A176-V180 WeakPolarHBondContact O-CB 3.45Å; A176-V180 WeakPolarHBondContact O-CG2 3.31Å; A176-V180 PolarHBondContact O-N 2.8Å; V180-E182 PolarHBondContact O-N 2.93Å; V180-L183 PolarHBondContact O-N 3.45Å; V180-K184 WeakPolarHBondContact O-CB 3.47Å; V180-K184 PolarHBondContact O-N 3.25Å; V180-K184 VanDerWaalsContact O-N 3.08Å; V180-V191 HydrophobicContact CB-CG1 4.15Å; V180-V191 HydrophobicContact CG1-CG1 3.95Å; V180-V193 HydrophobicContact CB-CG2 4.32Å; V180-V193 HydrophobicContact CG2-CG2 3.88Å; V180-I208 HydrophobicContact CG2-CD1 3.88Å; V180-V215 HydrophobicContact CG1-CG1 4.08Å; V180-V215 HydrophobicContact CG1-CG2 4.03Å; V180-F217 HydrophobicContact CG1-CE2 4.39Å; V180-F217 HydrophobicContact CG2-CE2 4.41Å; V180-L225 HydrophobicContact CG2-CD2 3.74Å
181	A	98.8	Very high	98.5	Very high	2 Å²	2	48.3 Å²	48.3	2%	0.017	27%	0.268	C	S	.	.	H	α-helix	trans	-61.7	-45	179.3	0	0	0	0	0	112	N177 T178 F179 L183 K184 G185 L186 P188 V191	N177-A181 WeakPolarHBondContact O-CB 3.26Å; N177-A181 PolarHBondContact O-N 2.68Å; T178-A181 PolarHBondContact O-N 3.33Å; F179-A181 VanDerWaalsContact C-N 3.35Å; A181-L183 PolarHBondContact O-N 3.03Å; A181-K184 PolarHBondContact O-N 3.21Å; A181-G185 PolarHBondContact O-N 3.41Å; A181-L186 HydrophobicContact CB-CB 4.32Å; A181-L186 PolarHBondContact O-N 2.96Å; A181-P188 HydrophobicContact CB-CB 3.72Å; A181-P188 HydrophobicContact CB-CG 4.47Å; A181-V191 HydrophobicContact CB-CG2 3.87Å
182	E	98.5	Very high	98.5	Very high	121 Å²	121	51.6 Å²	51.6	57%	0.565	29%	0.286	S	S	*	.	H	α-helix	trans	-55.9	-50.8	176	-177.5	-179.1	-161.7	0	0	111.5	T178 V180 K184 G185 R228	T178-E182 WeakPolarHBondContact O-CB 3.44Å; T178-E182 PolarHBondContact O-N 3.06Å; V180-E182 PolarHBondContact O-N 2.93Å; E182-K184 VanDerWaalsContact C-N 3.29Å; E182-K184 PolarHBondContact O-N 3.22Å; E182-G185 PolarHBondContact O-N 2.91Å; E182-R228 IonicContact OE2-CZ 2.76Å; E182-R228 IonicContact OE2-NH1 3.35Å; E182-R228 PolarHBondContact OE2-NH1 3.47Å; E182-R228 IonicContact OE2-NH2 3Å; E182-R228 PolarHBondContact OE2-NH2 3.43Å
183	L	98.4	Very high	98.5	Very high	86 Å²	86	51.5 Å²	51.5	45%	0.45	29%	0.285	S	S	.	.	H	α-helix	trans	-70.9	-21.6	-177.1	-67.9	173.2	0	0	0	114.1	F179 V180 A181 F217 L225	F179-L183 WeakPolarHBondContact O-CG 3.47Å; F179-L183 PolarHBondContact O-N 2.9Å; F179-L183 VanDerWaalsContact O-N 3.14Å; V180-L183 PolarHBondContact O-N 3.45Å; A181-L183 PolarHBondContact O-N 3.03Å; L183-F217 HydrophobicContact CB-CE1 3.75Å; L183-F217 HydrophobicContact CB-CZ 3.98Å; L183-F217 HydrophobicContact CD1-CE1 3.91Å; L183-F217 HydrophobicContact CD1-CZ 4.2Å; L183-F217 HydrophobicContact CG-CE1 4.49Å; L183-L225 HydrophobicContact CD1-CB 4.32Å; L183-L225 HydrophobicContact CD1-CD1 3.96Å; L183-L225 HydrophobicContact CD1-CD2 4.27Å; L183-L225 HydrophobicContact CD1-CG 4.41Å
184	K	98.3	Very high	98.5	Very high	79 Å²	79	52 Å²	52	34%	0.343	29%	0.289	S	S	.	.	H	α-helix	trans	-106	-0.5	-179.5	-66.3	-53.6	-166.6	-166.4	0	114.2	V180 A181 E182 L186 V215 E216 F217	V180-K184 WeakPolarHBondContact O-CB 3.47Å; V180-K184 PolarHBondContact O-N 3.25Å; V180-K184 VanDerWaalsContact O-N 3.08Å; A181-K184 PolarHBondContact O-N 3.21Å; E182-K184 VanDerWaalsContact C-N 3.29Å; E182-K184 PolarHBondContact O-N 3.22Å; K184-L186 VanDerWaalsContact C-N 3.26Å; K184-L186 HydrophobicContact CB-CD1 3.83Å; K184-L186 HydrophobicContact CB-CG 3.76Å; K184-L186 PolarHBondContact O-N 3.47Å; K184-V215 HydrophobicContact CG-CB 4.33Å; K184-V215 HydrophobicContact CG-CG1 4Å; K184-E216 WeakPolarHBondContact CE-O 3.27Å; K184-E216 PolarHBondContact NZ-O 2.93Å; K184-F217 HydrophobicContact CD-CE1 3.99Å; K184-F217 HydrophobicContact CD-CZ 3.93Å; K184-F217 VanDerWaalsContact CE-CE1 3.4Å; K184-F217 VanDerWaalsContact CE-CZ 3.42Å; K184-F217 HydrophobicContact CG-CE1 4.25Å; K184-F217 HydrophobicContact CG-CE2 4.37Å; K184-F217 HydrophobicContact CG-CZ 3.71Å
185	G	98.1	Very high	98.5	Very high	72 Å²	72	51.1 Å²	51.1	74%	0.742	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	35.3	-175.3	0	0	0	0	0	112.8	A181 E182	A181-G185 PolarHBondContact O-N 3.41Å; E182-G185 PolarHBondContact O-N 2.91Å
186	L	98.4	Very high	98.5	Very high	65 Å²	65	50 Å²	50	34%	0.34	28%	0.279	S	S	.	.			trans	-99	161.7	178.9	-57.9	174.6	0	0	0	110.9	A181 K184 P188 V191 P213 V215	A181-L186 HydrophobicContact CB-CB 4.32Å; A181-L186 PolarHBondContact O-N 2.96Å; K184-L186 VanDerWaalsContact C-N 3.26Å; K184-L186 HydrophobicContact CB-CD1 3.83Å; K184-L186 HydrophobicContact CB-CG 3.76Å; K184-L186 PolarHBondContact O-N 3.47Å; L186-P188 WeakPolarHBondContact O-CD 3.29Å; L186-V191 HydrophobicContact CB-CG2 3.96Å; L186-V191 HydrophobicContact CD1-CG2 3.93Å; L186-P213 HydrophobicContact CD1-CG 3.95Å; L186-V215 HydrophobicContact CD1-CG1 4.14Å
187	D	98.4	Very high	98.5	Very high	82 Å²	82	50 Å²	50	44%	0.439	28%	0.279	S	S	.	.			trans	-73.9	118.5	166.1	175.6	4.7	0	0	0	109.7	A189 R190	D187-A189 PolarHBondContact O-N 2.85Å; D187-A189 VanDerWaalsContact O-N 3.15Å; D187-A189 WeakPolarHBondContact OD1-CB 3.33Å; D187-A189 PolarHBondContact OD1-N 3.49Å; D187-R190 HydrophobicContact CB-CG 4.39Å; D187-R190 PolarHBondContact O-N 3.32Å; D187-R190 IonicContact OD2-NE 3.99Å
188	P	97.9	Very high	98.5	Very high	63 Å²	63	49.5 Å²	49.5	41%	0.409	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-61.1	-22.7	-179.6	25.3	-34.7	0	0	0	113.6	A181 L186 R190 V191	A181-P188 HydrophobicContact CB-CB 3.72Å; A181-P188 HydrophobicContact CB-CG 4.47Å; L186-P188 WeakPolarHBondContact O-CD 3.29Å; P188-R190 PolarHBondContact O-N 2.78Å; P188-V191 PolarHBondContact O-N 3.12Å
189	A	97.4	Very high	98.5	Very high	88 Å²	88	47.6 Å²	47.6	73%	0.727	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-68.1	-16.5	174.7	0	0	0	0	0	113	D187	D187-A189 PolarHBondContact O-N 2.85Å; D187-A189 VanDerWaalsContact O-N 3.15Å; D187-A189 WeakPolarHBondContact OD1-CB 3.33Å; D187-A189 PolarHBondContact OD1-N 3.49Å
190	R	97.9	Very high	98.3	Very high	200 Å²	200	48.3 Å²	48.3	76%	0.755	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-107.5	2.4	179.2	-60.5	-172.4	179.8	-165.6	-1.8	113.6	D187 P188 P213	D187-R190 HydrophobicContact CB-CG 4.39Å; D187-R190 PolarHBondContact O-N 3.32Å; D187-R190 IonicContact OD2-NE 3.99Å; P188-R190 PolarHBondContact O-N 2.78Å; R190-P213 VanDerWaalsContact O-CD 3.29Å; R190-P213 WeakPolarHBondContact O-CD 3.33Å
191	V	98.7	Very high	98.1	Very high	5 Å²	5	49.4 Å²	49.4	3%	0.03	28%	0.284	C	S	.	.			trans	-98.8	133.6	177.1	178.3	0	0	0	0	109.4	N177 V180 A181 L186 P188 V193 T212	N177-V191 HydrophobicContact CB-CB 4.37Å; N177-V191 HydrophobicContact CB-CG1 4.26Å; N177-V191 PolarHBondContact ND2-O 3.47Å; N177-V191 PolarHBondContact OD1-O 3.2Å; V180-V191 HydrophobicContact CB-CG1 4.15Å; V180-V191 HydrophobicContact CG1-CG1 3.95Å; A181-V191 HydrophobicContact CB-CG2 3.87Å; L186-V191 HydrophobicContact CB-CG2 3.96Å; L186-V191 HydrophobicContact CD1-CG2 3.93Å; P188-V191 PolarHBondContact O-N 3.12Å; V191-V193 HydrophobicContact CG1-CG2 4.08Å; V191-T212 CarbonylContact C-O 3.33Å; V191-T212 WeakPolarHBondContact CA-O 3.48Å
192	N	98.7	Very high	98	Very high	74 Å²	74	53.8 Å²	53.8	40%	0.396	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-134	113	171.8	-171	-68.4	0	0	0	109.7	N177 C211 T212	N177-N192 WeakPolarHBondContact OD1-CA 3.46Å; N192-C211 CarbonylContact O-C 3.26Å; N192-C211 WeakPolarHBondContact O-CA 3.42Å; N192-T212 PolarHBondContact N-O 3.25Å; N192-T212 PolarHBondContact O-N 2.93Å
193	V	98.9	Very high	98	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.276	C	S	.	.			trans	-111.7	115.3	173.3	-179.9	0	0	0	0	108.2	A176 N177 V180 V191 V195 P206 I208 C211	A176-V193 HydrophobicContact CB-CB 3.87Å; A176-V193 HydrophobicContact CB-CG1 3.94Å; A176-V193 HydrophobicContact CB-CG2 4.35Å; N177-V193 PolarHBondContact OD1-N 3.17Å; V180-V193 HydrophobicContact CB-CG2 4.32Å; V180-V193 HydrophobicContact CG2-CG2 3.88Å; V191-V193 HydrophobicContact CG1-CG2 4.08Å; V193-V195 PolarHBondContact O-N 3.01Å; V193-P206 HydrophobicContact CG1-CB 4.27Å; V193-I208 HydrophobicContact CG1-CD1 3.77Å; V193-I208 HydrophobicContact CG2-CD1 4.48Å; V193-C211 HydrophobicContact CG2-CB 4.05Å
194	P	98.9	Very high	98.1	Very high	15 Å²	15	44.2 Å²	44.2	10%	0.097	26%	0.256	C	S	.	.			trans	-61.4	132.1	169	-21.8	33.8	0	0	0	110.4	L207 Q210 P290	P194-L207 HydrophobicContact CB-CB 4.32Å; P194-L207 HydrophobicContact CB-CD1 4.4Å; P194-L207 WeakPolarHBondContact O-CB 3.44Å; P194-L207 PolarHBondContact O-N 3.35Å; P194-Q210 HydrophobicContact CG-CB 4.13Å; P194-P290 HydrophobicContact CB-CG 4.16Å
195	V	98.9	Very high	98.1	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.012	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	122.4	172	-175.1	0	0	0	0	108.5	D172 I173 A176 V193 I204 I205 P206 C274	D172-V195 HydrophobicContact CB-CB 4.39Å; D172-V195 HydrophobicContact CB-CG1 3.93Å; I173-V195 HydrophobicContact CD1-CB 3.96Å; I173-V195 HydrophobicContact CD1-CG2 4.42Å; I173-V195 HydrophobicContact CG1-CB 3.93Å; I173-V195 HydrophobicContact CG1-CG2 3.95Å; A176-V195 HydrophobicContact CB-CG2 3.87Å; V193-V195 PolarHBondContact O-N 3.01Å; V195-I204 HydrophobicContact CG1-CG2 3.61Å; V195-I205 WeakPolarHBondContact CA-O 3.4Å; V195-P206 HydrophobicContact CG2-CB 4.2Å; V195-C274 WeakPolarHBondContact O-CB 3.46Å; V195-C274 PolarHBondContact O-SG 2.66Å; V195-C274 VanDerWaalsContact O-SG 3.37Å
196	I	98.9	Very high	98.1	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	176.9	-175.5	68.6	162.2	0	0	0	111	I205 L207 F287 S288 L304 V315	I196-I205 HydrophobicContact CD1-CG2 4.36Å; I196-I205 HydrophobicContact CG1-CB 3.82Å; I196-I205 HydrophobicContact CG1-CG2 3.95Å; I196-I205 PolarHBondContact N-O 3.3Å; I196-I205 PolarHBondContact O-N 2.96Å; I196-L207 HydrophobicContact CD1-CD1 3.96Å; I196-L207 HydrophobicContact CD1-CD2 3.84Å; I196-L207 HydrophobicContact CD1-CG 4.19Å; I196-L207 HydrophobicContact CG1-CD1 4.09Å; I196-L207 HydrophobicContact CG1-CD2 3.95Å; I196-L207 HydrophobicContact CG1-CG 3.99Å; I196-L207 HydrophobicContact CG2-CD1 3.67Å; I196-L207 HydrophobicContact CG2-CG 4.19Å; I196-F287 HydrophobicContact CB-CE1 4.01Å; I196-F287 HydrophobicContact CD1-CE1 4.07Å; I196-F287 HydrophobicContact CD1-CZ 4.31Å; I196-F287 HydrophobicContact CG1-CE1 4.31Å; I196-S288 CarbonylContact C-O 3.52Å; I196-S288 WeakPolarHBondContact CA-O 3.37Å; I196-S288 WeakPolarHBondContact CB-O 3.32Å; I196-L304 HydrophobicContact CD1-CD2 3.64Å; I196-V315 HydrophobicContact CD1-CG2 3.89Å
197	G	98.8	Very high	98.1	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	98.3	-112.7	176.6	0	0	0	0	0	113.6	T203 F276 F287 S288	G197-T203 CarbonylContact C-O 3.58Å; G197-T203 VanDerWaalsContact CA-O 3.31Å; G197-T203 WeakPolarHBondContact CA-O 3.27Å; G197-F276 VanDerWaalsContact O-CD2 3.27Å; G197-F276 WeakPolarHBondContact O-CD2 3.46Å; G197-F276 WeakPolarHBondContact O-CE2 3.44Å; G197-F287 VanDerWaalsContact N-CE1 3.33Å; G197-S288 PolarHBondContact N-O 3.2Å; G197-S288 WeakPolarHBondContact O-CB 3.18Å; G197-S288 PolarHBondContact O-N 3.01Å
198	G	98.5	Very high	98.1	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.01	17%	0.169	C	C	.	.			trans	-139.3	-159.7	177.4	0	0	0	0	0	111.5	N144 T203	N144-G198 WeakPolarHBondContact OD1-CA 3.43Å; G198-T203 PolarHBondContact N-O 3.03Å
199	H	98	Very high	98.2	Very high	23 Å²	23	30.1 Å²	30.1	11%	0.106	17%	0.169	C	C	.	.	S	Bend	trans	-124.7	35.3	-173.7	-165.4	52.8	0	0	0	112.9	V143 N144 T169 D172	V143-H199 HydrophobicContact CB-CB 4.01Å; V143-H199 HydrophobicContact CG1-CB 4.48Å; V143-H199 HydrophobicContact CG2-CB 4.5Å; N144-H199 PolarHBondContact OD1-N 2.82Å; T169-H199 HydrophobicContact CG2-CB 4.06Å; D172-H199 VanDerWaalsContact CG-ND1 3.33Å; D172-H199 IonicContact OD1-CE1 3.8Å; D172-H199 PolarHBondContact OD1-CE1 3.24Å; D172-H199 VanDerWaalsContact OD1-CE1 3.25Å; D172-H199 IonicContact OD1-ND1 2.72Å; D172-H199 PolarHBondContact OD1-ND1 3.04Å; D172-H199 IonicContact OD2-CE1 2.9Å; D172-H199 PolarHBondContact OD2-CE1 3.25Å; D172-H199 IonicContact OD2-CG 3.62Å; D172-H199 IonicContact OD2-ND1 2.64Å; D172-H199 PolarHBondContact OD2-ND1 2.93Å
200	A	94.9	Very high	98.2	Very high	35 Å²	35	28.4 Å²	28.4	29%	0.289	15%	0.146	S	C	.	.	S	Bend	trans	-148.3	118	179	0	0	0	0	0	112.2	K202 T203	A200-K202 PolarHBondContact O-N 3.26Å; A200-T203 PolarHBondContact N-OG1 3.32Å; A200-T203 WeakPolarHBondContact O-CB 3.48Å; A200-T203 PolarHBondContact O-N 2.99Å; A200-T203 PolarHBondContact O-OG1 3.32Å
201	G	94.6	Very high	98.3	Very high	23 Å²	23	19.2 Å²	19.2	24%	0.237	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	47.4	-126.4	174	0	0	0	0	0	112.4	T203 I204 Q230	G201-T203 PolarHBondContact O-N 3.18Å; G201-I204 WeakPolarHBondContact O-CB 3.49Å; G201-I204 PolarHBondContact O-N 3.33Å; G201-Q230 WeakPolarHBondContact O-CG 3.3Å
202	K	97.2	Very high	98.3	Very high	95 Å²	95	23.4 Å²	23.4	41%	0.413	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-60.5	-16.1	-179.6	65.2	168.1	179.6	166.2	0	115.4	A200 I204 D317 E321	A200-K202 PolarHBondContact O-N 3.26Å; K202-I204 PolarHBondContact O-N 2.94Å; K202-D317 WeakPolarHBondContact CE-O 3.08Å; K202-D317 PolarHBondContact NZ-O 3.25Å; K202-E321 WeakPolarHBondContact CE-OE2 3.38Å; K202-E321 VanDerWaalsContact CG-OE2 3.31Å; K202-E321 WeakPolarHBondContact CG-OE2 3.48Å
203	T	98.6	Very high	98.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-72.8	-15.5	175	70.3	0	0	0	0	112.2	N144 G197 G198 A200 G201 A318 E321 L322	N144-T203 PolarHBondContact ND2-OG1 3.32Å; N144-T203 VanDerWaalsContact ND2-OG1 3.17Å; G197-T203 CarbonylContact C-O 3.58Å; G197-T203 VanDerWaalsContact CA-O 3.31Å; G197-T203 WeakPolarHBondContact CA-O 3.27Å; G198-T203 PolarHBondContact N-O 3.03Å; A200-T203 PolarHBondContact N-OG1 3.32Å; A200-T203 WeakPolarHBondContact O-CB 3.48Å; A200-T203 PolarHBondContact O-N 2.99Å; A200-T203 PolarHBondContact O-OG1 3.32Å; G201-T203 PolarHBondContact O-N 3.18Å; T203-A318 HydrophobicContact CG2-CB 4.43Å; T203-E321 HydrophobicContact CG2-CB 3.97Å; T203-E321 HydrophobicContact CG2-CG 3.86Å; T203-L322 HydrophobicContact CG2-CD2 3.97Å; T203-L322 HydrophobicContact CG2-CG 3.81Å
204	I	98.9	Very high	98.2	Very high	6 Å²	6	30 Å²	30	3%	0.031	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	113.8	174.3	-57.3	165.8	0	0	0	108.3	D172 V195 G201 K202 P206 I229 Q230	D172-I204 HydrophobicContact CB-CG2 3.9Å; V195-I204 HydrophobicContact CG1-CG2 3.61Å; G201-I204 WeakPolarHBondContact O-CB 3.49Å; G201-I204 PolarHBondContact O-N 3.33Å; K202-I204 PolarHBondContact O-N 2.94Å; I204-P206 WeakPolarHBondContact O-CD 3.42Å; I204-I229 HydrophobicContact CG2-CG2 4.01Å; I204-Q230 HydrophobicContact CB-CG 4.16Å; I204-Q230 VanDerWaalsContact O-CG 3.28Å; I204-Q230 WeakPolarHBondContact O-CG 3.32Å; I204-Q230 PolarHBondContact O-NE2 3.4Å
205	I	98.9	Very high	98.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	95.3	-172.3	-55.3	164	0	0	0	109.2	V195 I196 L207 L314 V315 A318	V195-I205 WeakPolarHBondContact CA-O 3.4Å; I196-I205 HydrophobicContact CD1-CG2 4.36Å; I196-I205 HydrophobicContact CG1-CB 3.82Å; I196-I205 HydrophobicContact CG1-CG2 3.95Å; I196-I205 PolarHBondContact N-O 3.3Å; I196-I205 PolarHBondContact O-N 2.96Å; I205-L207 HydrophobicContact CG2-CD2 4.09Å; I205-L207 PolarHBondContact O-N 3.4Å; I205-L314 HydrophobicContact CG1-CB 4.24Å; I205-L314 HydrophobicContact CG2-CB 3.88Å; I205-L314 HydrophobicContact CG2-CD1 4.11Å; I205-V315 HydrophobicContact CD1-CB 4.37Å; I205-V315 HydrophobicContact CD1-CG2 3.87Å; I205-V315 HydrophobicContact CG2-CG2 4.46Å; I205-A318 HydrophobicContact CD1-CB 3.95Å
206	P	98.8	Very high	98	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	120.7	176.6	30.5	-33	0	0	0	110.8	V193 V195 I204 I208 T226 I229	V193-P206 HydrophobicContact CG1-CB 4.27Å; V195-P206 HydrophobicContact CG2-CB 4.2Å; I204-P206 WeakPolarHBondContact O-CD 3.42Å; P206-I208 VanDerWaalsContact C-N 3.28Å; P206-I208 HydrophobicContact CB-CD1 3.95Å; P206-I208 HydrophobicContact CB-CG1 4.42Å; P206-I208 PolarHBondContact O-N 2.95Å; P206-T226 HydrophobicContact CG-CG2 3.97Å; P206-I229 HydrophobicContact CB-CD1 3.71Å; P206-I229 HydrophobicContact CB-CG2 4.34Å; P206-I229 HydrophobicContact CG-CB 4.32Å; P206-I229 HydrophobicContact CG-CD1 3.75Å; P206-I229 HydrophobicContact CG-CG2 4.22Å
207	L	98.8	Very high	97.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.205	C	C	.	.			trans	-85.3	70.6	178.1	-57.4	-174.2	0	0	0	110.4	P194 I196 I205 S209 Q210 L307 E311	P194-L207 HydrophobicContact CB-CB 4.32Å; P194-L207 HydrophobicContact CB-CD1 4.4Å; P194-L207 WeakPolarHBondContact O-CB 3.44Å; P194-L207 PolarHBondContact O-N 3.35Å; I196-L207 HydrophobicContact CD1-CD1 3.96Å; I196-L207 HydrophobicContact CD1-CD2 3.84Å; I196-L207 HydrophobicContact CD1-CG 4.19Å; I196-L207 HydrophobicContact CG1-CD1 4.09Å; I196-L207 HydrophobicContact CG1-CD2 3.95Å; I196-L207 HydrophobicContact CG1-CG 3.99Å; I196-L207 HydrophobicContact CG2-CD1 3.67Å; I196-L207 HydrophobicContact CG2-CG 4.19Å; I205-L207 HydrophobicContact CG2-CD2 4.09Å; I205-L207 PolarHBondContact O-N 3.4Å; L207-S209 PolarHBondContact O-N 2.9Å; L207-Q210 HydrophobicContact CB-CB 4.18Å; L207-Q210 HydrophobicContact CB-CG 4.21Å; L207-Q210 PolarHBondContact O-N 3.27Å; L207-L307 HydrophobicContact CD1-CD2 3.91Å; L207-L307 HydrophobicContact CD2-CD2 3.61Å; L207-L307 HydrophobicContact CG-CD2 4.41Å; L207-E311 VanDerWaalsContact C-OE1 3.25Å; L207-E311 WeakPolarHBondContact CA-OE1 3.5Å; L207-E311 HydrophobicContact CD2-CB 4Å; L207-E311 HydrophobicContact CD2-CG 3.89Å
208	I	98.7	Very high	97.9	Very high	5 Å²	5	41 Å²	41	3%	0.026	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-59.3	-30.4	-179.1	-51	-59.6	0	0	0	111	V180 V193 P206 Q210 C211 V215 F217 L222 L225 I229 E311	V180-I208 HydrophobicContact CG2-CD1 3.88Å; V193-I208 HydrophobicContact CG1-CD1 3.77Å; V193-I208 HydrophobicContact CG2-CD1 4.48Å; P206-I208 VanDerWaalsContact C-N 3.28Å; P206-I208 HydrophobicContact CB-CD1 3.95Å; P206-I208 HydrophobicContact CB-CG1 4.42Å; P206-I208 PolarHBondContact O-N 2.95Å; I208-Q210 PolarHBondContact O-N 2.9Å; I208-C211 WeakPolarHBondContact O-CB 3.14Å; I208-C211 PolarHBondContact O-N 3.49Å; I208-C211 VanDerWaalsContact O-N 3.12Å; I208-V215 HydrophobicContact CG2-CG2 3.9Å; I208-F217 HydrophobicContact CG2-CD2 3.9Å; I208-F217 HydrophobicContact CG2-CE2 4.1Å; I208-L222 HydrophobicContact CB-CD1 3.72Å; I208-L222 HydrophobicContact CG1-CD1 3.7Å; I208-L222 HydrophobicContact CG2-CD1 3.9Å; I208-L225 HydrophobicContact CD1-CD2 3.99Å; I208-L225 HydrophobicContact CG1-CD2 4.36Å; I208-I229 HydrophobicContact CD1-CD1 4.28Å; I208-E311 PolarHBondContact N-OE1 3.32Å; I208-E311 VanDerWaalsContact N-OE1 3.15Å
209	S	98.6	Very high	97.8	Very high	59 Å²	59	45.3 Å²	45.3	41%	0.413	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-62.8	-20.9	175.7	74.1	0	0	0	0	113.6	L207 E311	L207-S209 PolarHBondContact O-N 2.9Å; S209-E311 VanDerWaalsContact CB-OE1 3.31Å; S209-E311 WeakPolarHBondContact CB-OE1 3.49Å; S209-E311 WeakPolarHBondContact CB-OE2 3.45Å; S209-E311 PolarHBondContact N-OE1 3.36Å; S209-E311 PolarHBondContact OG-OE1 2.75Å; S209-E311 PolarHBondContact OG-OE2 3.32Å
210	Q	98.6	Very high	97.7	Very high	51 Å²	51	49.5 Å²	49.5	24%	0.238	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-105.3	10.4	179.6	-57.3	-175.3	18.5	0	0	112.8	P194 L207 I208 L304 K306	P194-Q210 HydrophobicContact CG-CB 4.13Å; L207-Q210 HydrophobicContact CB-CB 4.18Å; L207-Q210 HydrophobicContact CB-CG 4.21Å; L207-Q210 PolarHBondContact O-N 3.27Å; I208-Q210 PolarHBondContact O-N 2.9Å; Q210-L304 PolarHBondContact NE2-O 3.36Å; Q210-K306 PolarHBondContact NE2-O 3.39Å
211	C	98.7	Very high	97.8	Very high	7 Å²	7	52 Å²	52	5%	0.047	29%	0.285	C	S	.	.			trans	-60	139.8	178.2	178.9	0	0	0	0	111.9	N192 V193 I208 P213 K214 V215	N192-C211 CarbonylContact O-C 3.26Å; N192-C211 WeakPolarHBondContact O-CA 3.42Å; V193-C211 HydrophobicContact CG2-CB 4.05Å; I208-C211 WeakPolarHBondContact O-CB 3.14Å; I208-C211 PolarHBondContact O-N 3.49Å; I208-C211 VanDerWaalsContact O-N 3.12Å; C211-P213 CarbonylContact C-O 3.54Å; C211-P213 CarbonylContact O-C 3.18Å; C211-P213 VanDerWaalsContact O-C 3.26Å; C211-P213 VanDerWaalsContact O-O 3.1Å; C211-P213 PolarHBondContact SG-O 3.38Å; C211-K214 WeakPolarHBondContact O-CA 3.44Å; C211-K214 PolarHBondContact O-N 3.17Å; C211-V215 HydrophobicContact CB-CG2 3.8Å
212	T	98.4	Very high	98	Very high	94 Å²	94	52.5 Å²	52.5	58%	0.577	28%	0.282	S	S	*	.	B	Isolated β-bridge	trans	-117.2	125	169.6	-59.3	0	0	0	0	109.9	V191 N192	V191-T212 CarbonylContact C-O 3.33Å; V191-T212 WeakPolarHBondContact CA-O 3.48Å; N192-T212 PolarHBondContact N-O 3.25Å; N192-T212 PolarHBondContact O-N 2.93Å
213	P	98.4	Very high	98	Very high	57 Å²	57	50.2 Å²	50.2	37%	0.37	28%	0.276	S	S	.	.	S	Bend	cis	-62.3	161.1	-7.6	30.6	-37.2	0	0	0	111.6	L186 R190 C211 V215	L186-P213 HydrophobicContact CD1-CG 3.95Å; R190-P213 VanDerWaalsContact O-CD 3.29Å; R190-P213 WeakPolarHBondContact O-CD 3.33Å; C211-P213 CarbonylContact C-O 3.54Å; C211-P213 CarbonylContact O-C 3.18Å; C211-P213 VanDerWaalsContact O-C 3.26Å; C211-P213 VanDerWaalsContact O-O 3.1Å; C211-P213 PolarHBondContact SG-O 3.38Å; P213-V215 PolarHBondContact O-N 3.07Å
214	K	98.1	Very high	98	Very high	155 Å²	155	52.8 Å²	52.8	67%	0.674	30%	0.297	S	S	*	.			trans	-59	131.3	178.3	-170.5	-174.1	-177.2	-148.4	0	109.8	C211 E216	C211-K214 WeakPolarHBondContact O-CA 3.44Å; C211-K214 PolarHBondContact O-N 3.17Å; K214-E216 IonicContact NZ-OE1 2.73Å; K214-E216 PolarHBondContact NZ-OE1 2.63Å
215	V	97.7	Very high	98	Very high	17 Å²	17	52.7 Å²	52.7	10%	0.103	30%	0.297	C	S	.	.			trans	-126.2	152.1	174.4	-61.1	0	0	0	0	109.9	V180 K184 L186 I208 C211 P213 F217	V180-V215 HydrophobicContact CG1-CG1 4.08Å; V180-V215 HydrophobicContact CG1-CG2 4.03Å; K184-V215 HydrophobicContact CG-CB 4.33Å; K184-V215 HydrophobicContact CG-CG1 4Å; L186-V215 HydrophobicContact CD1-CG1 4.14Å; I208-V215 HydrophobicContact CG2-CG2 3.9Å; C211-V215 HydrophobicContact CB-CG2 3.8Å; P213-V215 PolarHBondContact O-N 3.07Å; V215-F217 HydrophobicContact CB-CE2 4.21Å; V215-F217 HydrophobicContact CG2-CD2 4.2Å; V215-F217 HydrophobicContact CG2-CE2 3.76Å
216	E	96.2	Very high	98	Very high	135 Å²	135	52.9 Å²	52.9	63%	0.631	30%	0.298	S	S	*	.			trans	-129.2	133.6	176.1	-65.6	-178.2	-179.4	0	0	109.1	K184 K214	K184-E216 WeakPolarHBondContact CE-O 3.27Å; K184-E216 PolarHBondContact NZ-O 2.93Å; K214-E216 IonicContact NZ-OE1 2.73Å; K214-E216 PolarHBondContact NZ-OE1 2.63Å
217	F	97.4	Very high	98	Very high	29 Å²	29	58.1 Å²	58.1	13%	0.127	32%	0.322	C	S	.	.			trans	-124.7	142.4	178.3	-73.6	-82	0	0	0	109.9	V180 L183 K184 I208 V215 Q221 L222 L225	V180-F217 HydrophobicContact CG1-CE2 4.39Å; V180-F217 HydrophobicContact CG2-CE2 4.41Å; L183-F217 HydrophobicContact CB-CE1 3.75Å; L183-F217 HydrophobicContact CB-CZ 3.98Å; L183-F217 HydrophobicContact CD1-CE1 3.91Å; L183-F217 HydrophobicContact CD1-CZ 4.2Å; L183-F217 HydrophobicContact CG-CE1 4.49Å; K184-F217 HydrophobicContact CD-CE1 3.99Å; K184-F217 HydrophobicContact CD-CZ 3.93Å; K184-F217 VanDerWaalsContact CE-CE1 3.4Å; K184-F217 VanDerWaalsContact CE-CZ 3.42Å; K184-F217 HydrophobicContact CG-CE1 4.25Å; K184-F217 HydrophobicContact CG-CE2 4.37Å; K184-F217 HydrophobicContact CG-CZ 3.71Å; I208-F217 HydrophobicContact CG2-CD2 3.9Å; I208-F217 HydrophobicContact CG2-CE2 4.1Å; V215-F217 HydrophobicContact CB-CE2 4.21Å; V215-F217 HydrophobicContact CG2-CD2 4.2Å; V215-F217 HydrophobicContact CG2-CE2 3.76Å; F217-Q221 HydrophobicContact CB-CB 4.4Å; F217-Q221 HydrophobicContact CD1-CB 4.2Å; F217-L222 HydrophobicContact CB-CB 4.05Å; F217-L225 HydrophobicContact CD2-CD2 4.3Å; F217-L225 HydrophobicContact CE2-CD2 3.87Å; F217-L225 HydrophobicContact CZ-CD2 4.05Å
218	P	97.5	Very high	97.9	Very high	67 Å²	67	62 Å²	62	44%	0.435	34%	0.337	S	S	.	.			trans	-53.5	149.5	162.1	-26	36.9	0	0	0	111.3	D220 Q221 L222	P218-D220 VanDerWaalsContact C-N 3.3Å; P218-D220 WeakPolarHBondContact CB-OD1 3.38Å; P218-D220 PolarHBondContact O-N 3.28Å; P218-Q221 HydrophobicContact CB-CG 4.44Å; P218-Q221 PolarHBondContact O-N 3Å; P218-Q221 VanDerWaalsContact O-N 3.1Å; P218-L222 WeakPolarHBondContact O-CB 3.45Å; P218-L222 PolarHBondContact O-N 3.49Å
219	S	96.5	Very high	97.9	Very high	92 Å²	92	61.8 Å²	61.8	64%	0.643	34%	0.336	S	S	*	.	H	α-helix	trans	-56.7	-39.9	-172.7	-173.7	0	0	0	0	113.7	L222 T223	S219-L222 PolarHBondContact O-N 2.84Å; S219-T223 WeakPolarHBondContact O-CB 3.42Å; S219-T223 PolarHBondContact O-N 3.32Å; S219-T223 PolarHBondContact O-OG1 3.04Å
220	D	96.4	Very high	97.9	Very high	111 Å²	111	60.3 Å²	60.3	59%	0.594	32%	0.322	S	S	*	.	H	α-helix	trans	-64.7	-45.7	176.4	60.9	-39.1	0	0	0	111.7	P218 T223 A224	P218-D220 VanDerWaalsContact C-N 3.3Å; P218-D220 WeakPolarHBondContact CB-OD1 3.38Å; P218-D220 PolarHBondContact O-N 3.28Å; D220-T223 PolarHBondContact O-N 3.29Å; D220-A224 WeakPolarHBondContact O-CB 3.4Å; D220-A224 PolarHBondContact O-N 2.93Å
221	Q	97.6	Very high	97.7	Very high	88 Å²	88	61.8 Å²	61.8	41%	0.411	33%	0.329	S	S	.	.	H	α-helix	trans	-67	-38.9	176.1	-65.9	-173.6	13.8	0	0	112.4	F217 P218 T223 A224 L225	F217-Q221 HydrophobicContact CB-CB 4.4Å; F217-Q221 HydrophobicContact CD1-CB 4.2Å; P218-Q221 HydrophobicContact CB-CG 4.44Å; P218-Q221 PolarHBondContact O-N 3Å; P218-Q221 VanDerWaalsContact O-N 3.1Å; Q221-T223 VanDerWaalsContact C-N 3.33Å; Q221-A224 PolarHBondContact O-N 3.5Å; Q221-L225 WeakPolarHBondContact O-CB 3.35Å; Q221-L225 PolarHBondContact O-N 3.18Å
222	L	97.9	Very high	97.5	Very high	34 Å²	34	61.6 Å²	61.6	18%	0.178	33%	0.328	C	S	.	.	H	α-helix	trans	-62.2	-43.1	176.6	179.7	61.8	0	0	0	111.2	I208 F217 P218 S219 T226 F310	I208-L222 HydrophobicContact CB-CD1 3.72Å; I208-L222 HydrophobicContact CG1-CD1 3.7Å; I208-L222 HydrophobicContact CG2-CD1 3.9Å; F217-L222 HydrophobicContact CB-CB 4.05Å; P218-L222 WeakPolarHBondContact O-CB 3.45Å; P218-L222 PolarHBondContact O-N 3.49Å; S219-L222 PolarHBondContact O-N 2.84Å; L222-T226 WeakPolarHBondContact O-CB 3.49Å; L222-T226 PolarHBondContact O-N 3.14Å; L222-T226 PolarHBondContact O-OG1 3.44Å; L222-F310 HydrophobicContact CD2-CD1 3.94Å; L222-F310 HydrophobicContact CD2-CE1 4.3Å; L222-F310 HydrophobicContact CG-CD1 4.24Å; L222-F310 HydrophobicContact CG-CE1 4.09Å
223	T	98	Very high	97.1	Very high	46 Å²	46	58.4 Å²	58.4	28%	0.282	31%	0.314	S	S	.	.	H	α-helix	trans	-64.2	-51.2	177.4	-56.4	0	0	0	0	110.6	S219 D220 Q221 L225 T226 E227	S219-T223 WeakPolarHBondContact O-CB 3.42Å; S219-T223 PolarHBondContact O-N 3.32Å; S219-T223 PolarHBondContact O-OG1 3.04Å; D220-T223 PolarHBondContact O-N 3.29Å; Q221-T223 VanDerWaalsContact C-N 3.33Å; T223-L225 VanDerWaalsContact C-N 3.35Å; T223-L225 PolarHBondContact O-N 2.93Å; T223-T226 WeakPolarHBondContact O-CB 3.36Å; T223-T226 PolarHBondContact O-N 2.72Å; T223-T226 VanDerWaalsContact O-N 3.15Å; T223-E227 WeakPolarHBondContact O-CG 3.34Å; T223-E227 PolarHBondContact O-N 3.23Å
224	A	98.4	Very high	96.6	Very high	55 Å²	55	58.4 Å²	58.4	46%	0.455	31%	0.313	S	S	.	.	H	α-helix	trans	-61.8	-39.2	179.3	0	0	0	0	0	113	D220 Q221 E227 R228	D220-A224 WeakPolarHBondContact O-CB 3.4Å; D220-A224 PolarHBondContact O-N 2.93Å; Q221-A224 PolarHBondContact O-N 3.5Å; A224-E227 PolarHBondContact O-N 2.85Å; A224-R228 WeakPolarHBondContact O-CB 3.4Å; A224-R228 PolarHBondContact O-N 2.78Å
225	L	98.6	Very high	96.2	Very high	4 Å²	4	55 Å²	55	2%	0.021	30%	0.299	C	S	.	.	H	α-helix	trans	-62.6	-44.6	174.1	171.3	61.5	0	0	0	111.4	F179 V180 L183 I208 F217 Q221 T223 R228 I229	F179-L225 HydrophobicContact CB-CD1 3.61Å; V180-L225 HydrophobicContact CG2-CD2 3.74Å; L183-L225 HydrophobicContact CD1-CB 4.32Å; L183-L225 HydrophobicContact CD1-CD1 3.96Å; L183-L225 HydrophobicContact CD1-CD2 4.27Å; L183-L225 HydrophobicContact CD1-CG 4.41Å; I208-L225 HydrophobicContact CD1-CD2 3.99Å; I208-L225 HydrophobicContact CG1-CD2 4.36Å; F217-L225 HydrophobicContact CD2-CD2 4.3Å; F217-L225 HydrophobicContact CE2-CD2 3.87Å; F217-L225 HydrophobicContact CZ-CD2 4.05Å; Q221-L225 WeakPolarHBondContact O-CB 3.35Å; Q221-L225 PolarHBondContact O-N 3.18Å; T223-L225 VanDerWaalsContact C-N 3.35Å; T223-L225 PolarHBondContact O-N 2.93Å; L225-R228 PolarHBondContact O-N 3.34Å; L225-I229 HydrophobicContact CD1-CD1 3.95Å; L225-I229 HydrophobicContact CD1-CG1 4.26Å; L225-I229 HydrophobicContact CG-CD1 4.05Å; L225-I229 WeakPolarHBondContact O-CG1 3.39Å; L225-I229 PolarHBondContact O-N 3.45Å
226	T	98.7	Very high	95.9	Very high	3 Å²	3	56.1 Å²	56.1	2%	0.018	31%	0.306	C	S	.	.	H	α-helix	trans	-60.4	-47.6	178	-60.5	0	0	0	0	110.9	P206 L222 T223 R228 I229 Q230 F310 L314	P206-T226 HydrophobicContact CG-CG2 3.97Å; L222-T226 WeakPolarHBondContact O-CB 3.49Å; L222-T226 PolarHBondContact O-N 3.14Å; L222-T226 PolarHBondContact O-OG1 3.44Å; T223-T226 WeakPolarHBondContact O-CB 3.36Å; T223-T226 PolarHBondContact O-N 2.72Å; T223-T226 VanDerWaalsContact O-N 3.15Å; T226-R228 PolarHBondContact O-N 2.8Å; T226-I229 PolarHBondContact O-N 2.73Å; T226-Q230 WeakPolarHBondContact O-CG 3.31Å; T226-Q230 PolarHBondContact O-N 3.44Å; T226-F310 HydrophobicContact CG2-CE1 4.4Å; T226-F310 HydrophobicContact CG2-CZ 4.42Å; T226-L314 HydrophobicContact CG2-CD1 3.84Å
227	E	98.2	Very high	95.5	Very high	112 Å²	112	52.5 Å²	52.5	52%	0.523	29%	0.293	S	S	.	.	H	α-helix	trans	-60.6	-43.5	176.5	-71	177.2	179.1	0	0	112	T223 A224 I229 Q230 E231	T223-E227 WeakPolarHBondContact O-CG 3.34Å; T223-E227 PolarHBondContact O-N 3.23Å; A224-E227 PolarHBondContact O-N 2.85Å; E227-I229 VanDerWaalsContact C-N 3.33Å; E227-I229 PolarHBondContact O-N 2.8Å; E227-Q230 PolarHBondContact O-N 3.34Å; E227-E231 WeakPolarHBondContact O-CB 3.22Å; E227-E231 PolarHBondContact O-N 3.44Å
228	R	98.3	Very high	95.1	Very high	81 Å²	81	58.6 Å²	58.6	31%	0.306	32%	0.32	S	S	.	.	H	α-helix	trans	-60.2	-41.6	175.8	-171.8	-177.2	178.4	-159.1	-0.9	111.7	F179 E182 A224 L225 T226 E231 A232	F179-R228 HydrophobicContact CD2-CG 4.16Å; F179-R228 HydrophobicContact CE2-CG 3.95Å; F179-R228 HydrophobicContact CZ-CG 4.49Å; E182-R228 IonicContact OE2-CZ 2.76Å; E182-R228 IonicContact OE2-NH1 3.35Å; E182-R228 PolarHBondContact OE2-NH1 3.47Å; E182-R228 IonicContact OE2-NH2 3Å; E182-R228 PolarHBondContact OE2-NH2 3.43Å; A224-R228 WeakPolarHBondContact O-CB 3.4Å; A224-R228 PolarHBondContact O-N 2.78Å; L225-R228 PolarHBondContact O-N 3.34Å; T226-R228 PolarHBondContact O-N 2.8Å; R228-E231 PolarHBondContact O-N 2.88Å; R228-A232 WeakPolarHBondContact O-CA 3.29Å; R228-A232 VanDerWaalsContact O-CB 3.32Å; R228-A232 WeakPolarHBondContact O-CB 3.44Å; R228-A232 PolarHBondContact O-N 3.1Å
229	I	98.5	Very high	94.8	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-62.2	-45.5	176.2	-68.2	164.9	0	0	0	110.5	A176 F179 I204 P206 I208 L225 T226 E227 E231	A176-I229 HydrophobicContact CB-CD1 3.77Å; A176-I229 HydrophobicContact CB-CG1 4.35Å; F179-I229 HydrophobicContact CD2-CG1 3.75Å; F179-I229 HydrophobicContact CE2-CG1 4.38Å; I204-I229 HydrophobicContact CG2-CG2 4.01Å; P206-I229 HydrophobicContact CB-CD1 3.71Å; P206-I229 HydrophobicContact CB-CG2 4.34Å; P206-I229 HydrophobicContact CG-CB 4.32Å; P206-I229 HydrophobicContact CG-CD1 3.75Å; P206-I229 HydrophobicContact CG-CG2 4.22Å; I208-I229 HydrophobicContact CD1-CD1 4.28Å; L225-I229 HydrophobicContact CD1-CD1 3.95Å; L225-I229 HydrophobicContact CD1-CG1 4.26Å; L225-I229 HydrophobicContact CG-CD1 4.05Å; L225-I229 WeakPolarHBondContact O-CG1 3.39Å; L225-I229 PolarHBondContact O-N 3.45Å; T226-I229 PolarHBondContact O-N 2.73Å; E227-I229 VanDerWaalsContact C-N 3.33Å; E227-I229 PolarHBondContact O-N 2.8Å; I229-E231 VanDerWaalsContact C-N 3.35Å; I229-E231 PolarHBondContact O-N 2.99Å
230	Q	97.8	Very high	94.5	Very high	28 Å²	28	58.9 Å²	58.9	13%	0.131	32%	0.319	C	S	.	.	H	α-helix	trans	-63.9	-37.2	179.3	-70.1	175.4	-15.8	0	0	112.7	G201 I204 T226 E227	G201-Q230 WeakPolarHBondContact O-CG 3.3Å; I204-Q230 HydrophobicContact CB-CG 4.16Å; I204-Q230 VanDerWaalsContact O-CG 3.28Å; I204-Q230 WeakPolarHBondContact O-CG 3.32Å; I204-Q230 PolarHBondContact O-NE2 3.4Å; T226-Q230 WeakPolarHBondContact O-CG 3.31Å; T226-Q230 PolarHBondContact O-N 3.44Å; E227-Q230 PolarHBondContact O-N 3.34Å
231	E	94.5	Very high	94	Very high	82 Å²	82	58.2 Å²	58.2	38%	0.383	33%	0.329	S	S	.	.	H	α-helix	trans	-98.1	-2.4	-175.3	-70	-58.3	140.1	0	0	114.9	E227 R228 I229 G233 T234 E235	E227-E231 WeakPolarHBondContact O-CB 3.22Å; E227-E231 PolarHBondContact O-N 3.44Å; R228-E231 PolarHBondContact O-N 2.88Å; I229-E231 VanDerWaalsContact C-N 3.35Å; I229-E231 PolarHBondContact O-N 2.99Å; E231-G233 PolarHBondContact O-N 3.07Å; E231-T234 CarbonylContact O-C 3.57Å; E231-T234 WeakPolarHBondContact O-CA 2.84Å; E231-T234 VanDerWaalsContact O-CB 3.28Å; E231-T234 WeakPolarHBondContact O-CB 3.46Å; E231-T234 PolarHBondContact O-N 3.42Å; E231-T234 VanDerWaalsContact OE2-CB 3.27Å; E231-T234 WeakPolarHBondContact OE2-CB 3.34Å; E231-T234 PolarHBondContact OE2-OG1 3.48Å; E231-E235 PolarHBondContact O-N 2.88Å
232	A	94.6	Very high	93.2	Very high	3 Å²	3	56 Å²	56	3%	0.025	33%	0.33	C	S	.	.	H	α-helix	trans	-57	-27	-178.2	0	0	0	0	0	113.9	R175 F179 R228 V236	R175-A232 HydrophobicContact CG-CB 4.27Å; R175-A232 PolarHBondContact NH2-O 3.12Å; F179-A232 HydrophobicContact CE2-CB 3.94Å; F179-A232 HydrophobicContact CZ-CB 4.08Å; R228-A232 WeakPolarHBondContact O-CA 3.29Å; R228-A232 VanDerWaalsContact O-CB 3.32Å; R228-A232 WeakPolarHBondContact O-CB 3.44Å; R228-A232 PolarHBondContact O-N 3.1Å; A232-V236 WeakPolarHBondContact O-CG2 3.15Å; A232-V236 PolarHBondContact O-N 3.18Å
233	G	89.2	Confident	92.5	Very high	27 Å²	27	58.6 Å²	58.6	28%	0.278	36%	0.356	S	S	.	.	H	α-helix	trans	-63.7	-48.7	170	0	0	0	0	0	112.4	R175 E231 V236 V237	R175-G233 VanDerWaalsContact NH2-CA 3.34Å; E231-G233 PolarHBondContact O-N 3.07Å; G233-V236 PolarHBondContact O-N 3.32Å; G233-V237 WeakPolarHBondContact O-CG2 3.3Å; G233-V237 PolarHBondContact O-N 2.86Å
234	T	88.6	Confident	91.8	Very high	57 Å²	57	57.2 Å²	57.2	35%	0.35	35%	0.352	S	S	.	.	H	α-helix	trans	-63.2	-40.8	177.5	-52.3	0	0	0	0	111.3	E231 V236 V237 K238	E231-T234 CarbonylContact O-C 3.57Å; E231-T234 WeakPolarHBondContact O-CA 2.84Å; E231-T234 VanDerWaalsContact O-CB 3.28Å; E231-T234 WeakPolarHBondContact O-CB 3.46Å; E231-T234 PolarHBondContact O-N 3.42Å; E231-T234 VanDerWaalsContact OE2-CB 3.27Å; E231-T234 WeakPolarHBondContact OE2-CB 3.34Å; E231-T234 PolarHBondContact OE2-OG1 3.48Å; T234-V236 PolarHBondContact O-N 2.86Å; T234-V237 PolarHBondContact O-N 2.95Å; T234-K238 HydrophobicContact CG2-CD 4.23Å; T234-K238 WeakPolarHBondContact O-CG 3.44Å; T234-K238 PolarHBondContact O-N 2.96Å
235	E	90.6	Very high	91.3	Very high	83 Å²	83	56.9 Å²	56.9	39%	0.388	35%	0.346	S	S	.	.	H	α-helix	trans	-56.6	-47.2	176.3	-69.6	-176.9	177.4	0	0	111.9	E231 V237 K238 A239	E231-E235 PolarHBondContact O-N 2.88Å; E235-V237 PolarHBondContact O-N 3.46Å; E235-K238 PolarHBondContact O-N 3.18Å; E235-A239 WeakPolarHBondContact O-CB 3.25Å; E235-A239 PolarHBondContact O-N 2.86Å
236	V	91.3	Very high	91.1	Very high	42 Å²	42	57.1 Å²	57.1	26%	0.255	35%	0.349	S	S	.	.	H	α-helix	trans	-64.9	-40.3	178.4	174.8	0	0	0	0	111.8	A232 G233 T234 K238 A239 K240 A246	A232-V236 WeakPolarHBondContact O-CG2 3.15Å; A232-V236 PolarHBondContact O-N 3.18Å; G233-V236 PolarHBondContact O-N 3.32Å; T234-V236 PolarHBondContact O-N 2.86Å; V236-K238 VanDerWaalsContact C-N 3.33Å; V236-K238 PolarHBondContact O-N 2.87Å; V236-A239 PolarHBondContact O-N 2.81Å; V236-K240 HydrophobicContact CG1-CD 4.24Å; V236-K240 HydrophobicContact CG1-CG 4.43Å; V236-K240 WeakPolarHBondContact O-CB 3.44Å; V236-K240 WeakPolarHBondContact O-CG 3.42Å; V236-K240 PolarHBondContact O-N 3.22Å; V236-A246 HydrophobicContact CG1-CB 4.15Å
237	V	87.4	Confident	91	Very high	59 Å²	59	58.6 Å²	58.6	36%	0.358	36%	0.358	S	S	.	.	H	α-helix	trans	-62.5	-42.1	177.1	172.2	0	0	0	0	111	G233 T234 E235 K240 A241 G242	G233-V237 WeakPolarHBondContact O-CG2 3.3Å; G233-V237 PolarHBondContact O-N 2.86Å; T234-V237 PolarHBondContact O-N 2.95Å; E235-V237 PolarHBondContact O-N 3.46Å; V237-K240 PolarHBondContact O-N 2.97Å; V237-A241 PolarHBondContact O-N 3.27Å; V237-G242 PolarHBondContact O-N 3.27Å; V237-G242 VanDerWaalsContact O-N 3.09Å
238	K	89.1	Confident	91	Very high	157 Å²	157	59.3 Å²	59.3	68%	0.683	36%	0.364	S	S	*	.	H	α-helix	trans	-63.6	-47.1	175	-72.4	172	177.7	170	0	111.2	T234 E235 V236 K240 A241	T234-K238 HydrophobicContact CG2-CD 4.23Å; T234-K238 WeakPolarHBondContact O-CG 3.44Å; T234-K238 PolarHBondContact O-N 2.96Å; E235-K238 PolarHBondContact O-N 3.18Å; V236-K238 VanDerWaalsContact C-N 3.33Å; V236-K238 PolarHBondContact O-N 2.87Å; K238-K240 VanDerWaalsContact C-N 3.26Å; K238-K240 PolarHBondContact O-N 3.4Å; K238-A241 WeakPolarHBondContact O-CA 3.39Å; K238-A241 PolarHBondContact O-N 2.9Å
239	A	91.4	Very high	91	Very high	90 Å²	90	58 Å²	58	74%	0.744	37%	0.367	S	S	*	.	H	α-helix	trans	-62.9	-32	178.9	0	0	0	0	0	112.9	E235 V236 A241	E235-A239 WeakPolarHBondContact O-CB 3.25Å; E235-A239 PolarHBondContact O-N 2.86Å; V236-A239 PolarHBondContact O-N 2.81Å; A239-A241 PolarHBondContact O-N 2.85Å
240	K	89.4	Confident	91	Very high	74 Å²	74	58.4 Å²	58.4	32%	0.322	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	6.5	172.8	-72.3	-171.2	172.3	-169.4	0	113.8	V236 V237 K238 G242 A243 S245 T247	V236-K240 HydrophobicContact CG1-CD 4.24Å; V236-K240 HydrophobicContact CG1-CG 4.43Å; V236-K240 WeakPolarHBondContact O-CB 3.44Å; V236-K240 WeakPolarHBondContact O-CG 3.42Å; V236-K240 PolarHBondContact O-N 3.22Å; V237-K240 PolarHBondContact O-N 2.97Å; K238-K240 VanDerWaalsContact C-N 3.26Å; K238-K240 PolarHBondContact O-N 3.4Å; K240-G242 PolarHBondContact O-N 3.34Å; K240-G242 VanDerWaalsContact O-N 3.1Å; K240-A243 VanDerWaalsContact O-CB 3.23Å; K240-A243 WeakPolarHBondContact O-CB 3.33Å; K240-A243 PolarHBondContact O-N 3.16Å; K240-S245 PolarHBondContact NZ-O 3.32Å; K240-T247 PolarHBondContact NZ-OG1 3.14Å; K240-T247 VanDerWaalsContact NZ-OG1 3.12Å
241	A	86.9	Confident	91	Very high	97 Å²	97	57.1 Å²	57.1	80%	0.802	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	36.3	-178	0	0	0	0	0	113.4	V237 K238 A239 A243	V237-A241 PolarHBondContact O-N 3.27Å; K238-A241 WeakPolarHBondContact O-CA 3.39Å; K238-A241 PolarHBondContact O-N 2.9Å; A239-A241 PolarHBondContact O-N 2.85Å; A241-A243 VanDerWaalsContact C-N 3.31Å; A241-A243 PolarHBondContact O-N 3.34Å
242	G	78.9	Confident	91.3	Very high	41 Å²	41	59.4 Å²	59.4	42%	0.423	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.2	1.5	-178.3	0	0	0	0	0	115.7	V237 K240 G244	V237-G242 PolarHBondContact O-N 3.27Å; V237-G242 VanDerWaalsContact O-N 3.09Å; K240-G242 PolarHBondContact O-N 3.34Å; K240-G242 VanDerWaalsContact O-N 3.1Å; G242-G244 PolarHBondContact O-N 2.83Å
243	A	84	Confident	91.5	Very high	89 Å²	89	59.2 Å²	59.2	74%	0.736	37%	0.368	S	S	*	.	S	Bend	trans	-75.5	33.3	175.7	0	0	0	0	0	113.7	K240 A241	K240-A243 VanDerWaalsContact O-CB 3.23Å; K240-A243 WeakPolarHBondContact O-CB 3.33Å; K240-A243 PolarHBondContact O-N 3.16Å; A241-A243 VanDerWaalsContact C-N 3.31Å; A241-A243 PolarHBondContact O-N 3.34Å
244	G	84.1	Confident	91.9	Very high	18 Å²	18	58 Å²	58	19%	0.186	36%	0.355	C	S	.	.			trans	108.3	-176.8	-179.3	0	0	0	0	0	114.4	G242	G242-G244 PolarHBondContact O-N 2.83Å
245	S	87.9	Confident	92.4	Very high	47 Å²	47	55.3 Å²	55.3	33%	0.329	34%	0.339	S	S	.	.	S	Bend	trans	-107.7	-168.8	-177.4	58.5	0	0	0	0	111.8	K240 T247	K240-S245 PolarHBondContact NZ-O 3.32Å; S245-T247 PolarHBondContact O-N 3.39Å
246	A	92.9	Very high	92.8	Very high	10 Å²	10	53.9 Å²	53.9	8%	0.083	33%	0.33	C	S	.	.			trans	-57.7	122.9	173.6	0	0	0	0	0	111	L171 V236	L171-A246 HydrophobicContact CD2-CB 4.17Å; V236-A246 HydrophobicContact CG1-CB 4.15Å
247	T	96.7	Very high	93.2	Very high	34 Å²	34	52 Å²	52	21%	0.209	32%	0.318	C	S	.	.			trans	-115.3	-60	-179.1	45.3	0	0	0	0	110.6	G34 I35 K240 S245 M250 A251	G34-T247 VanDerWaalsContact O-CB 3.3Å; G34-T247 WeakPolarHBondContact O-CB 3.29Å; I35-T247 HydrophobicContact CG1-CG2 4.41Å; K240-T247 PolarHBondContact NZ-OG1 3.14Å; K240-T247 VanDerWaalsContact NZ-OG1 3.12Å; S245-T247 PolarHBondContact O-N 3.39Å; T247-M250 PolarHBondContact O-N 3.21Å; T247-A251 WeakPolarHBondContact O-CB 3.25Å; T247-A251 PolarHBondContact O-N 3.34Å
248	L	98.4	Very high	93.7	Very high	127 Å²	127	49.1 Å²	49.1	67%	0.665	30%	0.301	S	S	*	.	H	α-helix	trans	-65.7	-49.3	-176.4	-57.8	176	0	0	0	112.6	P38 M250 A251 Y252	P38-L248 HydrophobicContact CB-CD2 4.1Å; P38-L248 HydrophobicContact CG-CD2 4.19Å; L248-M250 VanDerWaalsContact C-N 3.28Å; L248-M250 PolarHBondContact O-N 3.48Å; L248-A251 WeakPolarHBondContact O-CB 3.39Å; L248-A251 PolarHBondContact O-N 2.97Å; L248-Y252 PolarHBondContact O-N 3.02Å
249	S	98.6	Very high	94.2	Very high	53 Å²	53	44.1 Å²	44.1	37%	0.371	28%	0.28	S	S	.	.	H	α-helix	trans	-66.4	-31.6	177.3	51.8	0	0	0	0	112.3	Y252 A253	S249-Y252 PolarHBondContact O-N 2.95Å; S249-A253 WeakPolarHBondContact O-CB 3.15Å; S249-A253 PolarHBondContact O-N 3.23Å
250	M	98.5	Very high	94.5	Very high	9 Å²	9	40.8 Å²	40.8	4%	0.044	25%	0.25	C	S	.	.	H	α-helix	trans	-70	-39.2	173.2	-169.8	64.8	-115.9	0	0	111.7	I35 I139 V168 L171 T247 L248 A253 G254	I35-M250 HydrophobicContact CD1-CB 4.2Å; I35-M250 HydrophobicContact CD1-CG 3.75Å; I35-M250 HydrophobicContact CG1-CB 4.16Å; I35-M250 HydrophobicContact CG1-CG 4.17Å; I35-M250 HydrophobicContact CG2-CG 4.22Å; I139-M250 HydrophobicContact CD1-CE 4.34Å; I139-M250 HydrophobicContact CG1-CE 4.22Å; I139-M250 HydrophobicContact CG2-CE 3.96Å; I139-M250 HydrophobicContact CG2-CG 3.89Å; I139-M250 HydrophobicContact CG2-SD 4.15Å; V168-M250 HydrophobicContact CG1-CE 3.99Å; L171-M250 HydrophobicContact CB-CE 4.26Å; L171-M250 HydrophobicContact CB-SD 3.82Å; L171-M250 HydrophobicContact CD2-CB 4.17Å; L171-M250 HydrophobicContact CD2-SD 3.64Å; L171-M250 HydrophobicContact CG-SD 4.32Å; T247-M250 PolarHBondContact O-N 3.21Å; L248-M250 VanDerWaalsContact C-N 3.28Å; L248-M250 PolarHBondContact O-N 3.48Å; M250-A253 HydrophobicContact CE-CB 4.08Å; M250-A253 PolarHBondContact O-N 3.02Å; M250-G254 PolarHBondContact O-N 2.84Å
251	A	98.8	Very high	95	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.7	-43	172.8	0	0	0	0	0	111.8	P38 L39 L42 T247 L248 G254 A255	P38-A251 HydrophobicContact CB-CB 3.76Å; P38-A251 HydrophobicContact CG-CB 3.77Å; L39-A251 HydrophobicContact CB-CB 4.02Å; L42-A251 HydrophobicContact CD1-CB 4.34Å; T247-A251 WeakPolarHBondContact O-CB 3.25Å; T247-A251 PolarHBondContact O-N 3.34Å; L248-A251 WeakPolarHBondContact O-CB 3.39Å; L248-A251 PolarHBondContact O-N 2.97Å; A251-G254 PolarHBondContact O-N 2.93Å; A251-A255 VanDerWaalsContact O-CB 3.26Å; A251-A255 WeakPolarHBondContact O-CB 3.49Å; A251-A255 PolarHBondContact O-N 3.46Å
252	Y	98.9	Very high	95.5	Very high	130 Å²	130	32.9 Å²	32.9	51%	0.51	20%	0.199	S	C	.	.	H	α-helix	trans	-57.6	-50.7	172.1	171.5	-93.6	0	0	0	111.9	V174 L248 S249 G254 A255 R256	V174-Y252 HydrophobicContact CG1-CD1 4.24Å; V174-Y252 HydrophobicContact CG1-CE1 4.11Å; V174-Y252 HydrophobicContact CG2-CD1 4.15Å; V174-Y252 HydrophobicContact CG2-CE1 3.81Å; L248-Y252 PolarHBondContact O-N 3.02Å; S249-Y252 PolarHBondContact O-N 2.95Å; Y252-G254 PolarHBondContact O-N 2.94Å; Y252-A255 PolarHBondContact O-N 3.17Å; Y252-R256 WeakPolarHBondContact O-CB 3.14Å; Y252-R256 PolarHBondContact O-N 3.47Å
253	A	98.9	Very high	96.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-64.1	-41.6	-179.3	0	0	0	0	0	112.5	T170 L171 V174 S249 M250 R256 F257	T170-A253 HydrophobicContact CG2-CB 4.28Å; L171-A253 HydrophobicContact CB-CB 3.87Å; L171-A253 HydrophobicContact CD1-CB 4.2Å; V174-A253 HydrophobicContact CG2-CB 4.28Å; S249-A253 WeakPolarHBondContact O-CB 3.15Å; S249-A253 PolarHBondContact O-N 3.23Å; M250-A253 HydrophobicContact CE-CB 4.08Å; M250-A253 PolarHBondContact O-N 3.02Å; A253-R256 PolarHBondContact O-N 3.09Å; A253-F257 PolarHBondContact O-N 3.48Å
254	G	98.8	Very high	97.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-65.5	-40.8	175.8	0	0	0	0	0	112.8	M250 A251 Y252 F257 T258	M250-G254 PolarHBondContact O-N 2.84Å; A251-G254 PolarHBondContact O-N 2.93Å; Y252-G254 PolarHBondContact O-N 2.94Å; G254-F257 PolarHBondContact O-N 2.82Å; G254-T258 WeakPolarHBondContact O-CB 3.15Å; G254-T258 PolarHBondContact O-N 3.32Å; G254-T258 PolarHBondContact O-OG1 2.95Å
255	A	98.9	Very high	97.8	Very high	2 Å²	2	29 Å²	29	2%	0.017	15%	0.151	C	C	.	.	H	α-helix	trans	-64.3	-46.6	174.5	0	0	0	0	0	111.2	L39 L42 A251 Y252 F257 T258 F259	L39-A255 HydrophobicContact CD1-CB 3.97Å; L42-A255 HydrophobicContact CB-CB 3.74Å; L42-A255 HydrophobicContact CD1-CB 3.82Å; L42-A255 HydrophobicContact CG-CB 4.44Å; A251-A255 VanDerWaalsContact O-CB 3.26Å; A251-A255 WeakPolarHBondContact O-CB 3.49Å; A251-A255 PolarHBondContact O-N 3.46Å; Y252-A255 PolarHBondContact O-N 3.17Å; A255-F257 PolarHBondContact O-N 3.42Å; A255-T258 WeakPolarHBondContact O-CB 3.16Å; A255-T258 PolarHBondContact O-N 3.2Å; A255-F259 HydrophobicContact CB-CE2 3.91Å; A255-F259 HydrophobicContact CB-CZ 4.04Å; A255-F259 WeakPolarHBondContact O-CD2 3.13Å; A255-F259 WeakPolarHBondContact O-CG 3.39Å; A255-F259 PolarHBondContact O-N 2.95Å
256	R	98.9	Very high	98.2	Very high	53 Å²	53	29.5 Å²	29.5	20%	0.2	15%	0.15	C	C	.	.	H	α-helix	trans	-53.3	-52	174.6	171.9	-179	158.2	-178.1	-8.9	111.3	T170 Y252 A253 T258 F259 S260 E273	T170-R256 HydrophobicContact CG2-CG 4.32Å; Y252-R256 WeakPolarHBondContact O-CB 3.14Å; Y252-R256 PolarHBondContact O-N 3.47Å; A253-R256 PolarHBondContact O-N 3.09Å; R256-T258 VanDerWaalsContact C-N 3.32Å; R256-T258 PolarHBondContact O-N 2.81Å; R256-F259 PolarHBondContact O-N 2.77Å; R256-S260 PolarHBondContact O-N 3.26Å; R256-S260 PolarHBondContact O-OG 2.68Å; R256-E273 IonicContact CZ-OE1 2.78Å; R256-E273 IonicContact CZ-OE2 3.06Å; R256-E273 IonicContact NE-OE1 2.72Å; R256-E273 PolarHBondContact NE-OE1 2.77Å; R256-E273 IonicContact NE-OE2 3.68Å; R256-E273 IonicContact NH2-OE1 2.94Å; R256-E273 PolarHBondContact NH2-OE1 2.9Å; R256-E273 IonicContact NH2-OE2 2.99Å; R256-E273 PolarHBondContact NH2-OE2 2.91Å
257	F	98.9	Very high	98.4	Very high	1 Å²	1	30.5 Å²	30.5	0%	0.004	16%	0.162	C	C	.	.	H	α-helix	trans	-60.1	-44.1	179.6	-171.1	-100.7	0	0	0	111.9	C137 F166 V168 T170 A253 G254 A255 F259 S260 V261 E273 A275	C137-F257 HydrophobicContact CB-CD1 4.46Å; C137-F257 HydrophobicContact CB-CE1 4.49Å; F166-F257 HydrophobicContact CB-CE1 3.69Å; F166-F257 HydrophobicContact CB-CZ 3.76Å; F166-F257 HydrophobicContact CD1-CE1 4.35Å; F166-F257 AromaticContact CD1-CZ 3.78Å; F166-F257 HydrophobicContact CD1-CZ 3.78Å; F166-F257 HydrophobicContact CD2-CE1 4.5Å; F166-F257 AromaticContact CG-CE1 3.96Å; F166-F257 HydrophobicContact CG-CE1 3.96Å; F166-F257 AromaticContact CG-CZ 3.86Å; F166-F257 HydrophobicContact CG-CZ 3.86Å; V168-F257 HydrophobicContact CG1-CB 4.07Å; V168-F257 HydrophobicContact CG1-CD1 4.47Å; V168-F257 HydrophobicContact CG1-CG 4.24Å; V168-F257 HydrophobicContact CG2-CD1 3.83Å; V168-F257 HydrophobicContact CG2-CE1 4.23Å; V168-F257 HydrophobicContact CG2-CG 4.39Å; T170-F257 WeakPolarHBondContact OG1-CB 3.47Å; T170-F257 WeakPolarHBondContact OG1-CD2 3.41Å; A253-F257 PolarHBondContact O-N 3.48Å; G254-F257 PolarHBondContact O-N 2.82Å; A255-F257 PolarHBondContact O-N 3.42Å; F257-F259 VanDerWaalsContact C-N 3.32Å; F257-F259 PolarHBondContact O-N 2.67Å; F257-S260 PolarHBondContact O-N 2.76Å; F257-V261 HydrophobicContact CD1-CG2 4.18Å; F257-V261 HydrophobicContact CE1-CG2 3.81Å; F257-V261 HydrophobicContact CZ-CG2 4.18Å; F257-V261 WeakPolarHBondContact O-CG2 3.47Å; F257-V261 PolarHBondContact O-N 2.94Å; F257-E273 HydrophobicContact CD2-CB 3.98Å; F257-E273 HydrophobicContact CD2-CG 4.17Å; F257-E273 HydrophobicContact CE2-CB 3.84Å; F257-E273 HydrophobicContact CE2-CG 4.44Å; F257-A275 HydrophobicContact CE2-CB 3.77Å; F257-A275 HydrophobicContact CZ-CB 3.76Å
258	T	98.9	Very high	98.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.3	-42.5	177.2	-54.9	0	0	0	0	111.2	V26 L43 V94 V96 G254 A255 R256 V261 L262	V26-T258 HydrophobicContact CG1-CG2 4.43Å; L43-T258 HydrophobicContact CD2-CG2 3.68Å; V94-T258 HydrophobicContact CG1-CG2 4.15Å; V96-T258 HydrophobicContact CG2-CG2 4.15Å; V96-T258 WeakPolarHBondContact CG2-OG1 3.43Å; G254-T258 WeakPolarHBondContact O-CB 3.15Å; G254-T258 PolarHBondContact O-N 3.32Å; G254-T258 PolarHBondContact O-OG1 2.95Å; A255-T258 WeakPolarHBondContact O-CB 3.16Å; A255-T258 PolarHBondContact O-N 3.2Å; R256-T258 VanDerWaalsContact C-N 3.32Å; R256-T258 PolarHBondContact O-N 2.81Å; T258-V261 PolarHBondContact O-N 2.77Å; T258-L262 HydrophobicContact CG2-CD1 4.16Å; T258-L262 HydrophobicContact CG2-CG 4.46Å; T258-L262 VanDerWaalsContact O-CG 3.26Å; T258-L262 WeakPolarHBondContact O-CG 3.28Å; T258-L262 PolarHBondContact O-N 3.13Å
259	F	98.8	Very high	98.5	Very high	52 Å²	52	37 Å²	37	23%	0.228	18%	0.184	C	C	.	.	H	α-helix	trans	-66.1	-40	176.8	-58.5	-30.7	0	0	0	112.5	L43 S46 L48 A255 R256 F257 V261 L262 D263	L43-F259 HydrophobicContact CD2-CD1 4.44Å; L43-F259 HydrophobicContact CD2-CE1 3.71Å; L43-F259 HydrophobicContact CD2-CZ 4.26Å; S46-F259 WeakPolarHBondContact OG-CE1 3.44Å; L48-F259 HydrophobicContact CD1-CB 4.12Å; L48-F259 HydrophobicContact CD1-CD1 4.27Å; L48-F259 HydrophobicContact CD1-CG 4.45Å; A255-F259 HydrophobicContact CB-CE2 3.91Å; A255-F259 HydrophobicContact CB-CZ 4.04Å; A255-F259 WeakPolarHBondContact O-CD2 3.13Å; A255-F259 WeakPolarHBondContact O-CG 3.39Å; A255-F259 PolarHBondContact O-N 2.95Å; R256-F259 PolarHBondContact O-N 2.77Å; F257-F259 VanDerWaalsContact C-N 3.32Å; F257-F259 PolarHBondContact O-N 2.67Å; F259-V261 VanDerWaalsContact C-N 3.34Å; F259-V261 PolarHBondContact O-N 3Å; F259-L262 HydrophobicContact CD1-CD1 4.42Å; F259-L262 PolarHBondContact O-N 3.25Å; F259-D263 VanDerWaalsContact O-CB 3.32Å; F259-D263 WeakPolarHBondContact O-CB 3.37Å; F259-D263 PolarHBondContact O-N 3.4Å
260	S	98.9	Very high	98.4	Very high	19 Å²	19	37.4 Å²	37.4	13%	0.133	20%	0.197	C	C	.	.	H	α-helix	trans	-59.5	-44.6	173.4	-65	0	0	0	0	111.2	R256 F257 L262 D263 A264 V271 E273	R256-S260 PolarHBondContact O-N 3.26Å; R256-S260 PolarHBondContact O-OG 2.68Å; F257-S260 PolarHBondContact O-N 2.76Å; S260-L262 PolarHBondContact O-N 3.25Å; S260-D263 PolarHBondContact O-N 3.32Å; S260-A264 WeakPolarHBondContact O-CB 3.32Å; S260-A264 PolarHBondContact O-N 3.35Å; S260-V271 WeakPolarHBondContact O-CG1 3.49Å; S260-E273 PolarHBondContact OG-OE1 2.98Å
261	V	98.8	Very high	98.4	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.024	20%	0.197	C	C	.	.	H	α-helix	trans	-59.4	-48.2	173.9	171.6	0	0	0	0	111.2	V94 M135 F257 T258 F259 A264 M265 L293	V94-V261 HydrophobicContact CG2-CG1 4.11Å; M135-V261 HydrophobicContact CB-CG1 3.94Å; M135-V261 HydrophobicContact CG-CG1 3.73Å; F257-V261 HydrophobicContact CD1-CG2 4.18Å; F257-V261 HydrophobicContact CE1-CG2 3.81Å; F257-V261 HydrophobicContact CZ-CG2 4.18Å; F257-V261 WeakPolarHBondContact O-CG2 3.47Å; F257-V261 PolarHBondContact O-N 2.94Å; T258-V261 PolarHBondContact O-N 2.77Å; F259-V261 VanDerWaalsContact C-N 3.34Å; F259-V261 PolarHBondContact O-N 3Å; V261-A264 PolarHBondContact O-N 3.48Å; V261-M265 HydrophobicContact CG1-CG 4.41Å; V261-M265 HydrophobicContact CG1-SD 3.81Å; V261-M265 WeakPolarHBondContact O-CB 3.21Å; V261-M265 VanDerWaalsContact O-CG 3.24Å; V261-M265 WeakPolarHBondContact O-CG 3.47Å; V261-M265 PolarHBondContact O-N 3.38Å; V261-L293 HydrophobicContact CG2-CD1 4.02Å
262	L	98.4	Very high	98.4	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-64	-41.6	180	-70.5	175.6	0	0	0	113	A24 V26 L48 V49 V94 T258 F259 S260 M265 N266	A24-L262 HydrophobicContact CB-CD2 3.25Å; A24-L262 HydrophobicContact CB-CG 4.49Å; V26-L262 HydrophobicContact CG2-CD1 4.19Å; V26-L262 HydrophobicContact CG2-CD2 4.41Å; L48-L262 HydrophobicContact CB-CB 4.31Å; L48-L262 HydrophobicContact CB-CD1 3.94Å; L48-L262 HydrophobicContact CD1-CB 4.15Å; V49-L262 HydrophobicContact CG2-CD1 4.01Å; V94-L262 HydrophobicContact CG2-CD2 3.68Å; V94-L262 HydrophobicContact CG2-CG 4.41Å; T258-L262 HydrophobicContact CG2-CD1 4.16Å; T258-L262 HydrophobicContact CG2-CG 4.46Å; T258-L262 VanDerWaalsContact O-CG 3.26Å; T258-L262 WeakPolarHBondContact O-CG 3.28Å; T258-L262 PolarHBondContact O-N 3.13Å; F259-L262 HydrophobicContact CD1-CD1 4.42Å; F259-L262 PolarHBondContact O-N 3.25Å; S260-L262 PolarHBondContact O-N 3.25Å; L262-M265 PolarHBondContact O-N 2.95Å; L262-N266 WeakPolarHBondContact O-CB 3.47Å; L262-N266 PolarHBondContact O-N 2.83Å; L262-N266 PolarHBondContact O-ND2 3.3Å; L262-N266 VanDerWaalsContact O-ND2 3.1Å
263	D	98.4	Very high	98.4	Very high	38 Å²	38	34.8 Å²	34.8	20%	0.203	19%	0.194	C	C	.	.	H	α-helix	trans	-59.7	-46.6	175.3	-93.9	-2.2	0	0	0	110.9	L48 F259 S260 N266 G267 K268 V271	L48-D263 WeakPolarHBondContact CD1-OD1 3.36Å; F259-D263 VanDerWaalsContact O-CB 3.32Å; F259-D263 WeakPolarHBondContact O-CB 3.37Å; F259-D263 PolarHBondContact O-N 3.4Å; S260-D263 PolarHBondContact O-N 3.32Å; D263-N266 CarbonylContact O-C 3.58Å; D263-N266 WeakPolarHBondContact O-CB 3.32Å; D263-N266 PolarHBondContact O-N 2.67Å; D263-N266 VanDerWaalsContact O-N 3.17Å; D263-G267 PolarHBondContact O-N 3.24Å; D263-K268 HydrophobicContact CB-CB 4.09Å; D263-K268 HydrophobicContact CB-CD 3.65Å; D263-K268 WeakPolarHBondContact O-CB 3.35Å; D263-K268 PolarHBondContact O-N 3.24Å; D263-K268 VanDerWaalsContact OD2-CD 3.3Å; D263-K268 WeakPolarHBondContact OD2-CD 3.39Å; D263-K268 IonicContact OD2-NZ 2.74Å; D263-K268 PolarHBondContact OD2-NZ 3.07Å; D263-V271 HydrophobicContact CB-CG2 4.35Å
264	A	98.4	Very high	98.4	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.008	20%	0.196	C	C	.	.	H	α-helix	trans	-65.4	-39.6	177.6	0	0	0	0	0	112.1	S260 V261 N266 G267 V271 L293 G294 K295	S260-A264 WeakPolarHBondContact O-CB 3.32Å; S260-A264 PolarHBondContact O-N 3.35Å; V261-A264 PolarHBondContact O-N 3.48Å; A264-N266 VanDerWaalsContact C-N 3.25Å; A264-N266 PolarHBondContact O-N 3.43Å; A264-G267 WeakPolarHBondContact O-CA 3.27Å; A264-G267 PolarHBondContact O-N 3.2Å; A264-V271 HydrophobicContact CB-CB 4.1Å; A264-V271 HydrophobicContact CB-CG1 4.38Å; A264-V271 HydrophobicContact CB-CG2 4.23Å; A264-L293 HydrophobicContact CB-CB 3.59Å; A264-G294 CarbonylContact O-C 3.53Å; A264-K295 PolarHBondContact O-N 3.15Å
265	M	98	Very high	98.5	Very high	27 Å²	27	35.1 Å²	35.1	13%	0.133	20%	0.196	C	C	.	.	H	α-helix	trans	-59.6	-36.2	171.8	-73.3	176.9	66.2	0	0	112.5	E93 V94 M135 V261 L262 G267	E93-M265 HydrophobicContact CB-CE 3.86Å; E93-M265 HydrophobicContact CG-CE 4.49Å; V94-M265 HydrophobicContact CG2-SD 3.85Å; M135-M265 HydrophobicContact CE-CG 4.17Å; M135-M265 HydrophobicContact CE-SD 4.07Å; M135-M265 HydrophobicContact CG-SD 3.72Å; V261-M265 HydrophobicContact CG1-CG 4.41Å; V261-M265 HydrophobicContact CG1-SD 3.81Å; V261-M265 WeakPolarHBondContact O-CB 3.21Å; V261-M265 VanDerWaalsContact O-CG 3.24Å; V261-M265 WeakPolarHBondContact O-CG 3.47Å; V261-M265 PolarHBondContact O-N 3.38Å; L262-M265 PolarHBondContact O-N 2.95Å; M265-G267 PolarHBondContact O-N 3.21Å
266	N	97	Very high	98.5	Very high	57 Å²	57	35 Å²	35	31%	0.305	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-0.1	173.3	-76.2	-41.2	0	0	0	113.9	N22 L262 D263 A264	N22-N266 WeakPolarHBondContact CA-OD1 3.43Å; N22-N266 WeakPolarHBondContact CB-OD1 3.48Å; N22-N266 PolarHBondContact N-OD1 3.31Å; N22-N266 VanDerWaalsContact N-OD1 3.13Å; L262-N266 WeakPolarHBondContact O-CB 3.47Å; L262-N266 PolarHBondContact O-N 2.83Å; L262-N266 PolarHBondContact O-ND2 3.3Å; L262-N266 VanDerWaalsContact O-ND2 3.1Å; D263-N266 CarbonylContact O-C 3.58Å; D263-N266 WeakPolarHBondContact O-CB 3.32Å; D263-N266 PolarHBondContact O-N 2.67Å; D263-N266 VanDerWaalsContact O-N 3.17Å; A264-N266 VanDerWaalsContact C-N 3.25Å; A264-N266 PolarHBondContact O-N 3.43Å
267	G	96.9	Very high	98.5	Very high	32 Å²	32	32.6 Å²	32.6	33%	0.33	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.3	16.2	177.7	0	0	0	0	0	114.6	D263 A264 M265 E269	D263-G267 PolarHBondContact O-N 3.24Å; A264-G267 WeakPolarHBondContact O-CA 3.27Å; A264-G267 PolarHBondContact O-N 3.2Å; M265-G267 PolarHBondContact O-N 3.21Å; G267-E269 PolarHBondContact O-N 2.95Å
268	K	97.9	Very high	98.4	Very high	117 Å²	117	36.5 Å²	36.5	51%	0.509	20%	0.201	S	C	.	.			trans	-64.2	124.5	167.9	-172.5	-175	-175.3	-175.1	0	108.9	D263 V271	D263-K268 HydrophobicContact CB-CB 4.09Å; D263-K268 HydrophobicContact CB-CD 3.65Å; D263-K268 WeakPolarHBondContact O-CB 3.35Å; D263-K268 PolarHBondContact O-N 3.24Å; D263-K268 VanDerWaalsContact OD2-CD 3.3Å; D263-K268 WeakPolarHBondContact OD2-CD 3.39Å; D263-K268 IonicContact OD2-NZ 2.74Å; D263-K268 PolarHBondContact OD2-NZ 3.07Å; K268-V271 HydrophobicContact CB-CG2 3.96Å; K268-V271 HydrophobicContact CD-CG2 3.74Å; K268-V271 HydrophobicContact CG-CG2 3.85Å; K268-V271 WeakPolarHBondContact O-CG2 3.48Å
269	E	97.9	Very high	98.4	Very high	180 Å²	180	36.6 Å²	36.6	84%	0.841	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	157.2	179.1	-63.1	179.7	-175.2	0	0	111.8	G267 V271	G267-E269 PolarHBondContact O-N 2.95Å; E269-V271 VanDerWaalsContact C-N 3.27Å; E269-V271 PolarHBondContact O-N 2.82Å
270	G	98.3	Very high	98.4	Very high	61 Å²	61	41.6 Å²	41.6	63%	0.629	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.6	19.2	172.5	0	0	0	0	0	114.9	V272	G270-V272 PolarHBondContact O-N 3.34Å
271	V	98.8	Very high	98.3	Very high	10 Å²	10	44.4 Å²	44.4	6%	0.061	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	112.6	176.9	-176.3	0	0	0	0	109.5	S260 D263 A264 K268 E269 L293	S260-V271 WeakPolarHBondContact O-CG1 3.49Å; D263-V271 HydrophobicContact CB-CG2 4.35Å; A264-V271 HydrophobicContact CB-CB 4.1Å; A264-V271 HydrophobicContact CB-CG1 4.38Å; A264-V271 HydrophobicContact CB-CG2 4.23Å; K268-V271 HydrophobicContact CB-CG2 3.96Å; K268-V271 HydrophobicContact CD-CG2 3.74Å; K268-V271 HydrophobicContact CG-CG2 3.85Å; K268-V271 WeakPolarHBondContact O-CG2 3.48Å; E269-V271 VanDerWaalsContact C-N 3.27Å; E269-V271 PolarHBondContact O-N 2.82Å; V271-L293 HydrophobicContact CB-CB 4.42Å; V271-L293 HydrophobicContact CG1-CB 4.35Å; V271-L293 HydrophobicContact CG1-CD1 4.23Å; V271-L293 PolarHBondContact O-N 3.48Å
272	V	98.8	Very high	98.2	Very high	63 Å²	63	45.7 Å²	45.7	38%	0.382	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	128	-179.7	-179.9	0	0	0	0	110.4	G270 P290 L291 L292 L302	G270-V272 PolarHBondContact O-N 3.34Å; V272-P290 HydrophobicContact CG1-CB 3.95Å; V272-L291 VanDerWaalsContact CA-O 3.29Å; V272-L291 WeakPolarHBondContact CA-O 3.22Å; V272-L292 HydrophobicContact CG2-CD1 4.12Å; V272-L302 HydrophobicContact CG1-CD1 3.77Å; V272-L302 HydrophobicContact CG2-CD1 3.99Å
273	E	98.9	Very high	98.1	Very high	11 Å²	11	51.8 Å²	51.8	5%	0.051	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	151.8	170.9	-71.2	-71.4	-170.7	0	0	109.9	R256 F257 S260 L291 L293	R256-E273 IonicContact CZ-OE1 2.78Å; R256-E273 IonicContact CZ-OE2 3.06Å; R256-E273 IonicContact NE-OE1 2.72Å; R256-E273 PolarHBondContact NE-OE1 2.77Å; R256-E273 IonicContact NE-OE2 3.68Å; R256-E273 IonicContact NH2-OE1 2.94Å; R256-E273 PolarHBondContact NH2-OE1 2.9Å; R256-E273 IonicContact NH2-OE2 2.99Å; R256-E273 PolarHBondContact NH2-OE2 2.91Å; F257-E273 HydrophobicContact CD2-CB 3.98Å; F257-E273 HydrophobicContact CD2-CG 4.17Å; F257-E273 HydrophobicContact CE2-CB 3.84Å; F257-E273 HydrophobicContact CE2-CG 4.44Å; S260-E273 PolarHBondContact OG-OE1 2.98Å; E273-L291 PolarHBondContact N-O 3.34Å; E273-L291 PolarHBondContact O-N 3.23Å; E273-L293 HydrophobicContact CB-CD1 4.43Å; E273-L293 HydrophobicContact CG-CD1 4.48Å
274	C	98.9	Very high	98	Very high	8 Å²	8	50 Å²	50	5%	0.054	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	138.3	165.7	-67.1	0	0	0	0	110.4	T169 I173 V195 T289	T169-C274 PolarHBondContact OG1-O 3.21Å; I173-C274 HydrophobicContact CD1-CB 3.68Å; I173-C274 HydrophobicContact CG1-CB 4.18Å; V195-C274 WeakPolarHBondContact O-CB 3.46Å; V195-C274 PolarHBondContact O-SG 2.66Å; V195-C274 VanDerWaalsContact O-SG 3.37Å; C274-T289 WeakPolarHBondContact CA-O 3.29Å
275	A	98.9	Very high	98	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	149.8	170.8	0	0	0	0	0	111.2	F166 G167 F257 V277 S288 T289 L291	F166-A275 HydrophobicContact CB-CB 4.4Å; F166-A275 HydrophobicContact CD1-CB 4.21Å; G167-A275 WeakPolarHBondContact O-CA 3.36Å; F257-A275 HydrophobicContact CE2-CB 3.77Å; F257-A275 HydrophobicContact CZ-CB 3.76Å; A275-V277 HydrophobicContact CB-CG1 4.07Å; A275-V277 PolarHBondContact O-N 2.98Å; A275-S288 VanDerWaalsContact O-CA 3.3Å; A275-S288 WeakPolarHBondContact O-CA 3.26Å; A275-T289 PolarHBondContact N-O 3.47Å; A275-L291 HydrophobicContact CB-CD1 3.97Å
276	F	98.9	Very high	98	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	109.9	175.1	-171.7	-101.8	0	0	0	110.6	V143 I147 G167 T169 G197 Y286 L322 I326	V143-F276 HydrophobicContact CG1-CB 4.19Å; V143-F276 HydrophobicContact CG1-CD1 4.32Å; I147-F276 HydrophobicContact CB-CD1 3.86Å; I147-F276 HydrophobicContact CB-CE1 4.14Å; I147-F276 HydrophobicContact CG1-CD1 4.05Å; I147-F276 HydrophobicContact CG2-CD1 3.95Å; I147-F276 HydrophobicContact CG2-CE1 4.19Å; G167-F276 WeakPolarHBondContact CA-O 3.4Å; G167-F276 PolarHBondContact N-O 2.93Å; G167-F276 PolarHBondContact O-N 3.46Å; T169-F276 HydrophobicContact CG2-CB 3.82Å; G197-F276 VanDerWaalsContact O-CD2 3.27Å; G197-F276 WeakPolarHBondContact O-CD2 3.46Å; G197-F276 WeakPolarHBondContact O-CE2 3.44Å; F276-Y286 HydrophobicContact CE1-CG 4.32Å; F276-Y286 VanDerWaalsContact CZ-CB 3.41Å; F276-L322 HydrophobicContact CE2-CD2 3.99Å; F276-L322 HydrophobicContact CZ-CD2 4.4Å; F276-I326 HydrophobicContact CZ-CD1 4.4Å; F276-I326 HydrophobicContact CZ-CG1 4.32Å
277	V	98.9	Very high	98.1	Very high	1 Å²	1	51 Å²	51	1%	0.006	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	170.7	-169.4	-62.7	0	0	0	0	111.4	F166 A275 S279 Y286 F287 L291 I298	F166-V277 HydrophobicContact CD1-CG1 3.95Å; A275-V277 HydrophobicContact CB-CG1 4.07Å; A275-V277 PolarHBondContact O-N 2.98Å; V277-S279 PolarHBondContact O-N 3.04Å; V277-Y286 CarbonylContact O-C 3.58Å; V277-Y286 WeakPolarHBondContact O-CA 3.48Å; V277-Y286 WeakPolarHBondContact O-CB 3.27Å; V277-F287 PolarHBondContact N-O 2.82Å; V277-F287 PolarHBondContact O-N 3.4Å; V277-L291 HydrophobicContact CB-CD1 4.37Å; V277-L291 HydrophobicContact CG1-CD1 3.62Å; V277-L291 HydrophobicContact CG2-CD1 3.85Å; V277-L291 HydrophobicContact CG2-CD2 4.07Å; V277-I298 HydrophobicContact CB-CD1 3.94Å; V277-I298 HydrophobicContact CG1-CD1 3.78Å; V277-I298 HydrophobicContact CG2-CD1 4.1Å
278	R	98.8	Very high	98.2	Very high	84 Å²	84	49.5 Å²	49.5	32%	0.317	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	123.6	166	172.9	73.8	-170.9	82.5	16.1	107.9	Y160 P162 E280 K285 Y286	Y160-R278 WeakPolarHBondContact OH-CB 3.29Å; P162-R278 HydrophobicContact CB-CB 3.93Å; P162-R278 HydrophobicContact CB-CG 4.07Å; R278-E280 IonicContact NH2-OE1 3.73Å; R278-E280 PolarHBondContact NH2-OE1 3.03Å; R278-K285 WeakPolarHBondContact CD-O 3.46Å; R278-K285 PolarHBondContact NH1-O 3.37Å; R278-Y286 HydrophobicContact CB-CD1 4.19Å; R278-Y286 HydrophobicContact CB-CE1 4.07Å
279	S	98.5	Very high	98.3	Very high	2 Å²	2	44 Å²	44	1%	0.014	23%	0.225	C	C	.	.			trans	-142.4	146.2	-168.9	-177	0	0	0	0	112.2	V277 E281 K285 N301	V277-S279 PolarHBondContact O-N 3.04Å; S279-E281 WeakPolarHBondContact OG-CG 3.43Å; S279-E281 PolarHBondContact OG-N 3.21Å; S279-K285 PolarHBondContact N-O 3.24Å; S279-N301 PolarHBondContact OG-ND2 3.46Å
280	E	97.7	Very high	98.3	Very high	157 Å²	157	36 Å²	36	73%	0.734	19%	0.189	S	C	*	.			trans	-113.6	4.9	176.5	-57.5	-171.8	160.2	0	0	112	R278 T282	R278-E280 IonicContact NH2-OE1 3.73Å; R278-E280 PolarHBondContact NH2-OE1 3.03Å; E280-T282 PolarHBondContact O-N 3.12Å
281	E	97.8	Very high	98.4	Very high	78 Å²	78	33.2 Å²	33.2	36%	0.364	16%	0.159	S	C	.	.	S	Bend	trans	-68.3	-16.9	-178	-56	-58.8	141	0	0	113	S279 T289 N301 G303	S279-E281 WeakPolarHBondContact OG-CG 3.43Å; S279-E281 PolarHBondContact OG-N 3.21Å; E281-T289 HydrophobicContact CB-CG2 4.42Å; E281-T289 HydrophobicContact CG-CG2 4.11Å; E281-N301 WeakPolarHBondContact CG-ND2 3.21Å; E281-G303 WeakPolarHBondContact OE2-CA 3.42Å
282	T	97.1	Very high	98.4	Very high	30 Å²	30	34.4 Å²	34.4	18%	0.184	17%	0.165	C	C	.	.	S	Bend	trans	-142.5	176.1	178.1	71.5	0	0	0	0	109.7	E280 C284 F287 L304	E280-T282 PolarHBondContact O-N 3.12Å; T282-C284 PolarHBondContact O-N 3.19Å; T282-C284 WeakPolarHBondContact OG1-CB 3.36Å; T282-C284 PolarHBondContact OG1-N 3.06Å; T282-C284 VanDerWaalsContact OG1-N 3.09Å; T282-F287 HydrophobicContact CG2-CD1 4.33Å; T282-F287 HydrophobicContact CG2-CD2 4.04Å; T282-F287 HydrophobicContact CG2-CE1 4.29Å; T282-F287 HydrophobicContact CG2-CE2 4.02Å; T282-F287 HydrophobicContact CG2-CG 4.19Å; T282-F287 HydrophobicContact CG2-CZ 4.13Å; T282-L304 HydrophobicContact CG2-CD1 4.31Å
283	E	95	Very high	98.4	Very high	130 Å²	130	31.6 Å²	31.6	61%	0.607	15%	0.148	S	C	*	.	S	Bend	trans	-67.2	-9.9	170	53.9	170.7	-169.8	0	0	114.4	M319 K323	E283-M319 HydrophobicContact CG-SD 4.12Å; E283-K323 WeakPolarHBondContact OE1-CE 3.31Å; E283-K323 IonicContact OE1-NZ 3.26Å; E283-K323 PolarHBondContact OE1-NZ 3.27Å; E283-K323 WeakPolarHBondContact OE2-CE 3.46Å; E283-K323 IonicContact OE2-NZ 2.67Å; E283-K323 PolarHBondContact OE2-NZ 2.79Å
284	C	97	Very high	98.4	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.014	15%	0.149	C	C	.	.	S	Bend	trans	-80.6	130.8	171.8	-67.1	0	0	0	0	110.3	T282 Y286 M319 I326	T282-C284 PolarHBondContact O-N 3.19Å; T282-C284 WeakPolarHBondContact OG1-CB 3.36Å; T282-C284 PolarHBondContact OG1-N 3.06Å; T282-C284 VanDerWaalsContact OG1-N 3.09Å; C284-Y286 WeakPolarHBondContact CB-O 3.44Å; C284-Y286 PolarHBondContact O-N 3.17Å; C284-Y286 VanDerWaalsContact O-N 3.12Å; C284-M319 VanDerWaalsContact SG-SD 3.69Å; C284-I326 HydrophobicContact CB-CD1 3.98Å
285	K	98.3	Very high	98.3	Very high	103 Å²	103	37.7 Å²	37.7	45%	0.448	18%	0.175	S	C	.	.	S	Bend	trans	-58.8	-26.8	176.8	-66.5	175.5	-179.9	173.1	0	113.4	R278 S279 E330	R278-K285 WeakPolarHBondContact CD-O 3.46Å; R278-K285 PolarHBondContact NH1-O 3.37Å; S279-K285 PolarHBondContact N-O 3.24Å; K285-E330 WeakPolarHBondContact CD-OE1 3.42Å; K285-E330 IonicContact NZ-OE1 3.88Å; K285-E330 PolarHBondContact NZ-OE1 2.97Å; K285-E330 IonicContact NZ-OE2 3.65Å; K285-E330 PolarHBondContact NZ-OE2 3.44Å
286	Y	98.9	Very high	98.2	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.008	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	140	178.3	-56.7	-95.8	0	0	0	109.4	I147 P148 S151 F276 V277 R278 C284 I326	I147-Y286 HydrophobicContact CG2-CD1 3.6Å; I147-Y286 HydrophobicContact CG2-CE1 3.92Å; I147-Y286 HydrophobicContact CG2-CG 4.41Å; P148-Y286 HydrophobicContact CB-CD2 4.45Å; P148-Y286 HydrophobicContact CB-CE2 4.01Å; P148-Y286 HydrophobicContact CG-CD2 3.89Å; P148-Y286 HydrophobicContact CG-CE2 3.95Å; P148-Y286 HydrophobicContact CG-CG 4.36Å; S151-Y286 WeakPolarHBondContact CB-OH 3.45Å; S151-Y286 WeakPolarHBondContact OG-CE1 3.31Å; S151-Y286 PolarHBondContact OG-OH 3.15Å; F276-Y286 HydrophobicContact CE1-CG 4.32Å; F276-Y286 VanDerWaalsContact CZ-CB 3.41Å; V277-Y286 CarbonylContact O-C 3.58Å; V277-Y286 WeakPolarHBondContact O-CA 3.48Å; V277-Y286 WeakPolarHBondContact O-CB 3.27Å; R278-Y286 HydrophobicContact CB-CD1 4.19Å; R278-Y286 HydrophobicContact CB-CE1 4.07Å; C284-Y286 WeakPolarHBondContact CB-O 3.44Å; C284-Y286 PolarHBondContact O-N 3.17Å; C284-Y286 VanDerWaalsContact O-N 3.12Å; Y286-I326 HydrophobicContact CD2-CD1 4.21Å; Y286-I326 HydrophobicContact CD2-CG1 4.09Å; Y286-I326 HydrophobicContact CD2-CG2 3.71Å; Y286-I326 HydrophobicContact CE2-CG2 4.04Å
287	F	98.9	Very high	98.2	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	148.9	-178.4	-158.3	-97.1	0	0	0	109.8	I196 G197 V277 T282 T289 L304 M319 L322	I196-F287 HydrophobicContact CB-CE1 4.01Å; I196-F287 HydrophobicContact CD1-CE1 4.07Å; I196-F287 HydrophobicContact CD1-CZ 4.31Å; I196-F287 HydrophobicContact CG1-CE1 4.31Å; G197-F287 VanDerWaalsContact N-CE1 3.33Å; V277-F287 PolarHBondContact N-O 2.82Å; V277-F287 PolarHBondContact O-N 3.4Å; T282-F287 HydrophobicContact CG2-CD1 4.33Å; T282-F287 HydrophobicContact CG2-CD2 4.04Å; T282-F287 HydrophobicContact CG2-CE1 4.29Å; T282-F287 HydrophobicContact CG2-CE2 4.02Å; T282-F287 HydrophobicContact CG2-CG 4.19Å; T282-F287 HydrophobicContact CG2-CZ 4.13Å; F287-T289 HydrophobicContact CD1-CG2 3.83Å; F287-T289 HydrophobicContact CE1-CG2 4.23Å; F287-L304 HydrophobicContact CD1-CD2 4.12Å; F287-L304 HydrophobicContact CE1-CD2 3.46Å; F287-L304 VanDerWaalsContact CE1-CD2 3.46Å; F287-L304 HydrophobicContact CZ-CD2 4.24Å; F287-M319 HydrophobicContact CD2-CE 4.17Å; F287-M319 HydrophobicContact CE2-CE 3.46Å; F287-M319 VanDerWaalsContact CE2-CE 3.46Å; F287-M319 HydrophobicContact CZ-CE 4.33Å; F287-L322 HydrophobicContact CD2-CD1 3.75Å; F287-L322 HydrophobicContact CE2-CD1 3.63Å
288	S	98.9	Very high	98.2	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.007	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	125.7	173.5	-176.2	0	0	0	0	110.1	T169 I196 G197 A275	T169-S288 PolarHBondContact OG1-OG 2.74Å; I196-S288 CarbonylContact C-O 3.52Å; I196-S288 WeakPolarHBondContact CA-O 3.37Å; I196-S288 WeakPolarHBondContact CB-O 3.32Å; G197-S288 PolarHBondContact N-O 3.2Å; G197-S288 WeakPolarHBondContact O-CB 3.18Å; G197-S288 PolarHBondContact O-N 3.01Å; A275-S288 VanDerWaalsContact O-CA 3.3Å; A275-S288 WeakPolarHBondContact O-CA 3.26Å
289	T	98.9	Very high	98.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	165.9	173.5	45.4	0	0	0	0	109.1	C274 A275 E281 F287 L291 N301 L304	C274-T289 WeakPolarHBondContact CA-O 3.29Å; A275-T289 PolarHBondContact N-O 3.47Å; E281-T289 HydrophobicContact CB-CG2 4.42Å; E281-T289 HydrophobicContact CG-CG2 4.11Å; F287-T289 HydrophobicContact CD1-CG2 3.83Å; F287-T289 HydrophobicContact CE1-CG2 4.23Å; T289-L291 WeakPolarHBondContact O-CG 3.3Å; T289-L291 PolarHBondContact O-N 2.91Å; T289-N301 WeakPolarHBondContact CB-OD1 3.4Å; T289-N301 VanDerWaalsContact OG1-CG 3.28Å; T289-N301 PolarHBondContact OG1-ND2 2.91Å; T289-N301 PolarHBondContact OG1-OD1 2.87Å; T289-L304 HydrophobicContact CG2-CD2 3.76Å
290	P	98.9	Very high	98.2	Very high	14 Å²	14	52.3 Å²	52.3	9%	0.091	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	132.3	168.7	-17.6	31.7	0	0	0	110.6	P194 V272 L302 G303	P194-P290 HydrophobicContact CB-CG 4.16Å; V272-P290 HydrophobicContact CG1-CB 3.95Å; P290-L302 HydrophobicContact CB-CB 4.23Å; P290-L302 HydrophobicContact CB-CD1 4.17Å; P290-L302 VanDerWaalsContact O-CB 3.27Å; P290-L302 WeakPolarHBondContact O-CB 3.43Å; P290-L302 PolarHBondContact O-N 3.26Å; P290-G303 WeakPolarHBondContact CD-O 3.39Å
291	L	98.9	Very high	98.3	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	127.8	-177.6	-53.9	173.6	0	0	0	108.9	V272 E273 A275 V277 T289 L293 I298 K300 N301	V272-L291 VanDerWaalsContact CA-O 3.29Å; V272-L291 WeakPolarHBondContact CA-O 3.22Å; E273-L291 PolarHBondContact N-O 3.34Å; E273-L291 PolarHBondContact O-N 3.23Å; A275-L291 HydrophobicContact CB-CD1 3.97Å; V277-L291 HydrophobicContact CB-CD1 4.37Å; V277-L291 HydrophobicContact CG1-CD1 3.62Å; V277-L291 HydrophobicContact CG2-CD1 3.85Å; V277-L291 HydrophobicContact CG2-CD2 4.07Å; T289-L291 WeakPolarHBondContact O-CG 3.3Å; T289-L291 PolarHBondContact O-N 2.91Å; L291-L293 HydrophobicContact CB-CD2 4.28Å; L291-L293 PolarHBondContact O-N 3.45Å; L291-I298 HydrophobicContact CB-CG2 4.45Å; L291-I298 HydrophobicContact CD1-CD1 3.94Å; L291-I298 HydrophobicContact CD1-CG1 4.09Å; L291-I298 HydrophobicContact CD2-CG2 4.27Å; L291-K300 WeakPolarHBondContact CA-O 3.21Å; L291-N301 HydrophobicContact CD2-CB 4.02Å
292	L	98.9	Very high	98.3	Very high	36 Å²	36	46.6 Å²	46.6	19%	0.188	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	118.6	162.2	-179.4	65.8	0	0	0	107.9	V272 E299 K300 L302	V272-L292 HydrophobicContact CG2-CD1 4.12Å; L292-E299 HydrophobicContact CD2-CB 4.42Å; L292-E299 HydrophobicContact CD2-CG 4.31Å; L292-E299 HydrophobicContact CG-CB 4.3Å; L292-E299 PolarHBondContact O-N 3.35Å; L292-K300 HydrophobicContact CB-CB 4.04Å; L292-K300 HydrophobicContact CD2-CB 4.31Å; L292-K300 PolarHBondContact N-O 3.47Å; L292-K300 PolarHBondContact O-N 3.09Å; L292-L302 HydrophobicContact CB-CD2 4.37Å
293	L	98.9	Very high	98.4	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.021	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	143.6	175.6	-56.7	-179	0	0	0	109.7	F166 V261 A264 V271 E273 L291 G297	F166-L293 HydrophobicContact CE1-CD2 3.89Å; F166-L293 HydrophobicContact CZ-CD2 4.34Å; V261-L293 HydrophobicContact CG2-CD1 4.02Å; A264-L293 HydrophobicContact CB-CB 3.59Å; V271-L293 HydrophobicContact CB-CB 4.42Å; V271-L293 HydrophobicContact CG1-CB 4.35Å; V271-L293 HydrophobicContact CG1-CD1 4.23Å; V271-L293 PolarHBondContact O-N 3.48Å; E273-L293 HydrophobicContact CB-CD1 4.43Å; E273-L293 HydrophobicContact CG-CD1 4.48Å; L291-L293 HydrophobicContact CB-CD2 4.28Å; L291-L293 PolarHBondContact O-N 3.45Å; L293-G297 WeakPolarHBondContact CA-O 3.36Å
294	G	98.5	Very high	98.5	Very high	7 Å²	7	41 Å²	41	7%	0.072	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	-166.3	176	0	0	0	0	0	112.1	A264 N296 G297	A264-G294 CarbonylContact O-C 3.53Å; G294-N296 PolarHBondContact O-N 2.88Å; G294-G297 PolarHBondContact N-O 2.96Å; G294-G297 PolarHBondContact O-N 3.4Å
295	K	97.7	Very high	98.5	Very high	139 Å²	139	43.6 Å²	43.6	60%	0.604	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-27.7	-173.1	-68	-175.7	178.2	177.7	0	114.7	A264	A264-K295 PolarHBondContact O-N 3.15Å
296	N	97.4	Very high	98.5	Very high	110 Å²	110	47.5 Å²	47.5	59%	0.588	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116	26.4	-174.9	-65.9	-53.4	0	0	0	113	M135 R164 G294	M135-N296 VanDerWaalsContact CE-C 3.44Å; R164-N296 PolarHBondContact NH2-OD1 3.3Å; R164-N296 VanDerWaalsContact NH2-OD1 3.09Å; G294-N296 PolarHBondContact O-N 2.88Å
297	G	98.4	Very high	98.5	Very high	3 Å²	3	48.7 Å²	48.7	3%	0.031	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	97.7	-131.1	178.3	0	0	0	0	0	110.8	N163 L293 G294 E299	N163-G297 CarbonylContact O-C 3.58Å; N163-G297 VanDerWaalsContact O-CA 3.29Å; N163-G297 WeakPolarHBondContact O-CA 3.39Å; L293-G297 WeakPolarHBondContact CA-O 3.36Å; G294-G297 PolarHBondContact N-O 2.96Å; G294-G297 PolarHBondContact O-N 3.4Å; G297-E299 PolarHBondContact O-N 2.96Å
298	I	98.8	Very high	98.5	Very high	18 Å²	18	50.6 Å²	50.6	9%	0.092	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	117.6	177.3	-53.3	172.3	0	0	0	109.5	N163 F166 V277 L291	N163-I298 HydrophobicContact CB-CB 4.03Å; N163-I298 PolarHBondContact O-N 3.04Å; F166-I298 HydrophobicContact CD1-CG1 4.35Å; F166-I298 HydrophobicContact CE1-CD1 3.96Å; F166-I298 HydrophobicContact CE1-CG1 3.39Å; F166-I298 HydrophobicContact CZ-CG1 3.88Å; V277-I298 HydrophobicContact CB-CD1 3.94Å; V277-I298 HydrophobicContact CG1-CD1 3.78Å; V277-I298 HydrophobicContact CG2-CD1 4.1Å; L291-I298 HydrophobicContact CB-CG2 4.45Å; L291-I298 HydrophobicContact CD1-CD1 3.94Å; L291-I298 HydrophobicContact CD1-CG1 4.09Å; L291-I298 HydrophobicContact CD2-CG2 4.27Å
299	E	98.6	Very high	98.4	Very high	137 Å²	137	54.4 Å²	54.4	64%	0.64	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90	-41	172.6	-175.1	171.8	163.6	0	0	110.9	L292 G297	L292-E299 HydrophobicContact CD2-CB 4.42Å; L292-E299 HydrophobicContact CD2-CG 4.31Å; L292-E299 HydrophobicContact CG-CB 4.3Å; L292-E299 PolarHBondContact O-N 3.35Å; G297-E299 PolarHBondContact O-N 2.96Å
300	K	98.8	Very high	98.4	Very high	127 Å²	127	57.4 Å²	57.4	55%	0.552	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-151.6	134.2	177.8	-172.8	177.2	177.6	-179.5	0	111.9	L291 L292 L302	L291-K300 WeakPolarHBondContact CA-O 3.21Å; L292-K300 HydrophobicContact CB-CB 4.04Å; L292-K300 HydrophobicContact CD2-CB 4.31Å; L292-K300 PolarHBondContact N-O 3.47Å; L292-K300 PolarHBondContact O-N 3.09Å; K300-L302 HydrophobicContact CB-CD2 4.49Å; K300-L302 HydrophobicContact CD-CD2 4.01Å; K300-L302 HydrophobicContact CG-CD2 4.14Å
301	N	98.8	Very high	98.4	Very high	37 Å²	37	56.9 Å²	56.9	20%	0.198	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	122.8	163.2	-167.5	-20.2	0	0	0	109.1	S279 E281 T289 L291 G303	S279-N301 PolarHBondContact OG-ND2 3.46Å; E281-N301 WeakPolarHBondContact CG-ND2 3.21Å; T289-N301 WeakPolarHBondContact CB-OD1 3.4Å; T289-N301 VanDerWaalsContact OG1-CG 3.28Å; T289-N301 PolarHBondContact OG1-ND2 2.91Å; T289-N301 PolarHBondContact OG1-OD1 2.87Å; L291-N301 HydrophobicContact CD2-CB 4.02Å; N301-G303 VanDerWaalsContact C-N 3.3Å; N301-G303 PolarHBondContact OD1-N 3.13Å
302	L	98.8	Very high	98.4	Very high	78 Å²	78	62.2 Å²	62.2	41%	0.408	33%	0.331	S	S	.	.			trans	-87.4	-2.8	-178	-54.4	178.9	0	0	0	112.7	V272 P290 L292 K300	V272-L302 HydrophobicContact CG1-CD1 3.77Å; V272-L302 HydrophobicContact CG2-CD1 3.99Å; P290-L302 HydrophobicContact CB-CB 4.23Å; P290-L302 HydrophobicContact CB-CD1 4.17Å; P290-L302 VanDerWaalsContact O-CB 3.27Å; P290-L302 WeakPolarHBondContact O-CB 3.43Å; P290-L302 PolarHBondContact O-N 3.26Å; L292-L302 HydrophobicContact CB-CD2 4.37Å; K300-L302 HydrophobicContact CB-CD2 4.49Å; K300-L302 HydrophobicContact CD-CD2 4.01Å; K300-L302 HydrophobicContact CG-CD2 4.14Å
303	G	98.4	Very high	98.4	Very high	7 Å²	7	66.9 Å²	66.9	7%	0.072	35%	0.35	C	S	.	.			trans	70.6	-162.3	174.1	0	0	0	0	0	114.1	E281 P290 N301	E281-G303 WeakPolarHBondContact OE2-CA 3.42Å; P290-G303 WeakPolarHBondContact CD-O 3.39Å; N301-G303 VanDerWaalsContact C-N 3.3Å; N301-G303 PolarHBondContact OD1-N 3.13Å
304	L	97.9	Very high	98.4	Very high	34 Å²	34	67.9 Å²	67.9	18%	0.178	36%	0.355	C	S	.	.			trans	-82.4	-19.2	-176.2	-51.9	178.5	0	0	0	113.1	I196 Q210 T282 F287 T289 L307	I196-L304 HydrophobicContact CD1-CD2 3.64Å; Q210-L304 PolarHBondContact NE2-O 3.36Å; T282-L304 HydrophobicContact CG2-CD1 4.31Å; F287-L304 HydrophobicContact CD1-CD2 4.12Å; F287-L304 HydrophobicContact CE1-CD2 3.46Å; F287-L304 VanDerWaalsContact CE1-CD2 3.46Å; F287-L304 HydrophobicContact CZ-CD2 4.24Å; T289-L304 HydrophobicContact CG2-CD2 3.76Å; L304-L307 HydrophobicContact CB-CD1 4.31Å; L304-L307 HydrophobicContact CB-CD2 4.37Å; L304-L307 HydrophobicContact CB-CG 4.43Å; L304-L307 HydrophobicContact CD1-CD1 4.37Å; L304-L307 WeakPolarHBondContact O-CD2 3.37Å
305	G	97.2	Very high	98.4	Very high	57 Å²	57	68.3 Å²	68.3	59%	0.588	36%	0.356	S	S	*	.			trans	64.2	-157.4	-169.8	0	0	0	0	0	112.5
306	K	98.1	Very high	98.4	Very high	185 Å²	185	64.8 Å²	64.8	80%	0.804	35%	0.353	S	S	*	.	S	Bend	trans	-84.9	121.1	175.4	-176.6	179.5	179.2	-179.6	0	109.5	Q210	Q210-K306 PolarHBondContact NE2-O 3.39Å
307	L	98.6	Very high	98.4	Very high	28 Å²	28	63.3 Å²	63.3	15%	0.147	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-97	151.9	178.1	-57	-177.5	0	0	0	111.2	L207 L304 E311 E312 V315	L207-L307 HydrophobicContact CD1-CD2 3.91Å; L207-L307 HydrophobicContact CD2-CD2 3.61Å; L207-L307 HydrophobicContact CG-CD2 4.41Å; L304-L307 HydrophobicContact CB-CD1 4.31Å; L304-L307 HydrophobicContact CB-CD2 4.37Å; L304-L307 HydrophobicContact CB-CG 4.43Å; L304-L307 HydrophobicContact CD1-CD1 4.37Å; L304-L307 WeakPolarHBondContact O-CD2 3.37Å; L307-E311 HydrophobicContact CB-CB 4.28Å; L307-E311 HydrophobicContact CD2-CB 4.37Å; L307-E312 HydrophobicContact CB-CG 3.69Å; L307-E312 HydrophobicContact CD1-CG 4.15Å; L307-V315 HydrophobicContact CD1-CG2 4.06Å
308	S	98.4	Very high	98.4	Very high	40 Å²	40	63.2 Å²	63.2	28%	0.28	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-81.6	160.9	162	65.2	0	0	0	0	110.8	F310 E311 E312	S308-F310 PolarHBondContact O-N 3.27Å; S308-F310 VanDerWaalsContact O-N 3.14Å; S308-E311 WeakPolarHBondContact CB-OE2 3.47Å; S308-E311 PolarHBondContact N-OE2 3.39Å; S308-E311 PolarHBondContact O-N 3.07Å; S308-E311 WeakPolarHBondContact OG-CG 3.31Å; S308-E311 PolarHBondContact OG-N 2.81Å; S308-E311 PolarHBondContact OG-OE2 2.85Å; S308-E312 WeakPolarHBondContact O-CG 3.39Å; S308-E312 PolarHBondContact O-N 3.5Å
309	A	98.4	Very high	98.4	Very high	81 Å²	81	63.1 Å²	63.1	67%	0.669	34%	0.343	S	S	*	.	H	α-helix	trans	-57.7	-30.5	177	0	0	0	0	0	113.3	K313	A309-K313 PolarHBondContact O-N 3.07Å
310	F	98.4	Very high	98.4	Very high	62 Å²	62	59 Å²	59	27%	0.272	34%	0.338	S	S	.	.	H	α-helix	trans	-66.7	-47.9	174	177.7	-111.3	0	0	0	111.4	L222 T226 S308 K313 L314	L222-F310 HydrophobicContact CD2-CD1 3.94Å; L222-F310 HydrophobicContact CD2-CE1 4.3Å; L222-F310 HydrophobicContact CG-CD1 4.24Å; L222-F310 HydrophobicContact CG-CE1 4.09Å; T226-F310 HydrophobicContact CG2-CE1 4.4Å; T226-F310 HydrophobicContact CG2-CZ 4.42Å; S308-F310 PolarHBondContact O-N 3.27Å; S308-F310 VanDerWaalsContact O-N 3.14Å; F310-K313 WeakPolarHBondContact O-CB 3.43Å; F310-K313 PolarHBondContact O-N 3.25Å; F310-L314 HydrophobicContact CD1-CD1 4.14Å; F310-L314 HydrophobicContact CE1-CD1 3.7Å; F310-L314 HydrophobicContact CE1-CG 4.41Å; F310-L314 HydrophobicContact CZ-CD1 4.06Å; F310-L314 HydrophobicContact CZ-CD2 4.38Å; F310-L314 HydrophobicContact CZ-CG 4.41Å; F310-L314 WeakPolarHBondContact O-CG 3.35Å; F310-L314 PolarHBondContact O-N 3.19Å; F310-L314 VanDerWaalsContact O-N 3.12Å
311	E	98.7	Very high	98.3	Very high	4 Å²	4	56.1 Å²	56.1	2%	0.019	33%	0.326	C	S	.	.	H	α-helix	trans	-68.4	-36.7	179.6	-68.6	153.9	159	0	0	112.2	L207 I208 S209 L307 S308 K313 L314 V315	L207-E311 VanDerWaalsContact C-OE1 3.25Å; L207-E311 WeakPolarHBondContact CA-OE1 3.5Å; L207-E311 HydrophobicContact CD2-CB 4Å; L207-E311 HydrophobicContact CD2-CG 3.89Å; I208-E311 PolarHBondContact N-OE1 3.32Å; I208-E311 VanDerWaalsContact N-OE1 3.15Å; S209-E311 VanDerWaalsContact CB-OE1 3.31Å; S209-E311 WeakPolarHBondContact CB-OE1 3.49Å; S209-E311 WeakPolarHBondContact CB-OE2 3.45Å; S209-E311 PolarHBondContact N-OE1 3.36Å; S209-E311 PolarHBondContact OG-OE1 2.75Å; S209-E311 PolarHBondContact OG-OE2 3.32Å; L307-E311 HydrophobicContact CB-CB 4.28Å; L307-E311 HydrophobicContact CD2-CB 4.37Å; S308-E311 WeakPolarHBondContact CB-OE2 3.47Å; S308-E311 PolarHBondContact N-OE2 3.39Å; S308-E311 PolarHBondContact O-N 3.07Å; S308-E311 WeakPolarHBondContact OG-CG 3.31Å; S308-E311 PolarHBondContact OG-N 2.81Å; S308-E311 PolarHBondContact OG-OE2 2.85Å; E311-K313 VanDerWaalsContact C-N 3.29Å; E311-K313 PolarHBondContact O-N 3.13Å; E311-L314 WeakPolarHBondContact O-CB 3.18Å; E311-L314 PolarHBondContact O-N 3.17Å; E311-V315 WeakPolarHBondContact O-CG2 3.25Å; E311-V315 PolarHBondContact O-N 3.33Å
312	E	98.6	Very high	98.3	Very high	113 Å²	113	54.4 Å²	54.4	53%	0.528	32%	0.317	S	S	.	.	H	α-helix	trans	-57.6	-42.8	172.5	-72.1	176	173.9	0	0	111.6	L307 S308 V315 A316	L307-E312 HydrophobicContact CB-CG 3.69Å; L307-E312 HydrophobicContact CD1-CG 4.15Å; S308-E312 WeakPolarHBondContact O-CG 3.39Å; S308-E312 PolarHBondContact O-N 3.5Å; E312-V315 PolarHBondContact O-N 3Å; E312-A316 PolarHBondContact O-N 3.35Å
313	K	98.5	Very high	98.3	Very high	133 Å²	133	54.8 Å²	54.8	58%	0.578	32%	0.315	S	S	*	.	H	α-helix	trans	-63.5	-43.7	175.3	-172.3	-172.8	173.6	-166.5	0	111.7	A309 F310 E311 V315 A316 D317	A309-K313 PolarHBondContact O-N 3.07Å; F310-K313 WeakPolarHBondContact O-CB 3.43Å; F310-K313 PolarHBondContact O-N 3.25Å; E311-K313 VanDerWaalsContact C-N 3.29Å; E311-K313 PolarHBondContact O-N 3.13Å; K313-V315 VanDerWaalsContact C-N 3.3Å; K313-V315 PolarHBondContact O-N 3.46Å; K313-A316 PolarHBondContact O-N 3.05Å; K313-D317 WeakPolarHBondContact O-CB 3.27Å; K313-D317 PolarHBondContact O-N 3.17Å
314	L	98.6	Very high	98.3	Very high	25 Å²	25	57.4 Å²	57.4	13%	0.131	34%	0.336	C	S	.	.	H	α-helix	trans	-59.5	-41.7	176.4	-65.5	176.9	0	0	0	111.8	I205 T226 F310 E311 D317 A318	I205-L314 HydrophobicContact CG1-CB 4.24Å; I205-L314 HydrophobicContact CG2-CB 3.88Å; I205-L314 HydrophobicContact CG2-CD1 4.11Å; T226-L314 HydrophobicContact CG2-CD1 3.84Å; F310-L314 HydrophobicContact CD1-CD1 4.14Å; F310-L314 HydrophobicContact CE1-CD1 3.7Å; F310-L314 HydrophobicContact CE1-CG 4.41Å; F310-L314 HydrophobicContact CZ-CD1 4.06Å; F310-L314 HydrophobicContact CZ-CD2 4.38Å; F310-L314 HydrophobicContact CZ-CG 4.41Å; F310-L314 WeakPolarHBondContact O-CG 3.35Å; F310-L314 PolarHBondContact O-N 3.19Å; F310-L314 VanDerWaalsContact O-N 3.12Å; E311-L314 WeakPolarHBondContact O-CB 3.18Å; E311-L314 PolarHBondContact O-N 3.17Å; L314-D317 PolarHBondContact O-N 2.63Å; L314-A318 WeakPolarHBondContact O-CB 3.48Å; L314-A318 PolarHBondContact O-N 2.98Å; L314-A318 VanDerWaalsContact O-N 3.08Å
315	V	98.7	Very high	98.3	Very high	17 Å²	17	57 Å²	57	10%	0.103	34%	0.336	C	S	.	.	H	α-helix	trans	-60	-49.8	174.6	173.1	0	0	0	0	110.6	I196 I205 L307 E311 E312 K313 D317 A318 M319	I196-V315 HydrophobicContact CD1-CG2 3.89Å; I205-V315 HydrophobicContact CD1-CB 4.37Å; I205-V315 HydrophobicContact CD1-CG2 3.87Å; I205-V315 HydrophobicContact CG2-CG2 4.46Å; L307-V315 HydrophobicContact CD1-CG2 4.06Å; E311-V315 WeakPolarHBondContact O-CG2 3.25Å; E311-V315 PolarHBondContact O-N 3.33Å; E312-V315 PolarHBondContact O-N 3Å; K313-V315 VanDerWaalsContact C-N 3.3Å; K313-V315 PolarHBondContact O-N 3.46Å; V315-D317 PolarHBondContact O-N 2.89Å; V315-A318 PolarHBondContact O-N 3.3Å; V315-M319 HydrophobicContact CG1-CE 4.05Å; V315-M319 VanDerWaalsContact O-CE 3.29Å; V315-M319 WeakPolarHBondContact O-CE 3.4Å; V315-M319 WeakPolarHBondContact O-CG 3.47Å; V315-M319 PolarHBondContact O-N 3.3Å
316	A	98.3	Very high	98.4	Very high	64 Å²	64	54.5 Å²	54.5	53%	0.529	31%	0.309	S	S	.	.	H	α-helix	trans	-58.6	-45.6	178.6	0	0	0	0	0	112.2	E312 K313 A318 M319	E312-A316 PolarHBondContact O-N 3.35Å; K313-A316 PolarHBondContact O-N 3.05Å; A316-A318 VanDerWaalsContact C-N 3.28Å; A316-A318 PolarHBondContact O-N 3.06Å; A316-M319 PolarHBondContact O-N 2.92Å
317	D	98.3	Very high	98.4	Very high	80 Å²	80	51.2 Å²	51.2	43%	0.428	30%	0.295	S	S	.	.	H	α-helix	trans	-67.5	-26.3	-178	-71.8	-18.8	0	0	0	112.9	K202 K313 L314 V315	K202-D317 WeakPolarHBondContact CE-O 3.08Å; K202-D317 PolarHBondContact NZ-O 3.25Å; K313-D317 WeakPolarHBondContact O-CB 3.27Å; K313-D317 PolarHBondContact O-N 3.17Å; L314-D317 PolarHBondContact O-N 2.63Å; V315-D317 PolarHBondContact O-N 2.89Å
318	A	98.2	Very high	98.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-79.3	-25.1	178.4	0	0	0	0	0	113.9	T203 I205 L314 V315 A316 G320 E321 L322	T203-A318 HydrophobicContact CG2-CB 4.43Å; I205-A318 HydrophobicContact CD1-CB 3.95Å; L314-A318 WeakPolarHBondContact O-CB 3.48Å; L314-A318 PolarHBondContact O-N 2.98Å; L314-A318 VanDerWaalsContact O-N 3.08Å; V315-A318 PolarHBondContact O-N 3.3Å; A316-A318 VanDerWaalsContact C-N 3.28Å; A316-A318 PolarHBondContact O-N 3.06Å; A318-G320 PolarHBondContact O-N 2.94Å; A318-E321 PolarHBondContact O-N 3.47Å; A318-L322 HydrophobicContact CB-CD1 4.35Å; A318-L322 PolarHBondContact O-N 3.22Å
319	M	98	Very high	98.4	Very high	17 Å²	17	51.4 Å²	51.4	8%	0.084	29%	0.29	C	S	.	.	H	α-helix	trans	-56	-46.5	-169.9	-71.5	-58.7	93.3	0	0	113.4	E283 C284 F287 V315 A316 E321 L322 K323	E283-M319 HydrophobicContact CG-SD 4.12Å; C284-M319 VanDerWaalsContact SG-SD 3.69Å; F287-M319 HydrophobicContact CD2-CE 4.17Å; F287-M319 HydrophobicContact CE2-CE 3.46Å; F287-M319 VanDerWaalsContact CE2-CE 3.46Å; F287-M319 HydrophobicContact CZ-CE 4.33Å; V315-M319 HydrophobicContact CG1-CE 4.05Å; V315-M319 VanDerWaalsContact O-CE 3.29Å; V315-M319 WeakPolarHBondContact O-CE 3.4Å; V315-M319 WeakPolarHBondContact O-CG 3.47Å; V315-M319 PolarHBondContact O-N 3.3Å; A316-M319 PolarHBondContact O-N 2.92Å; M319-E321 VanDerWaalsContact C-N 3.33Å; M319-E321 PolarHBondContact O-N 3.27Å; M319-L322 HydrophobicContact CE-CD1 3.94Å; M319-L322 PolarHBondContact O-N 2.71Å; M319-K323 WeakPolarHBondContact O-CB 3.48Å; M319-K323 WeakPolarHBondContact O-CG 3.37Å; M319-K323 PolarHBondContact O-N 3.33Å
320	G	98.2	Very high	98.4	Very high	51 Å²	51	49 Å²	49	53%	0.526	27%	0.265	S	S	.	.	H	α-helix	trans	-61.2	-40.5	-178.2	0	0	0	0	0	113	A318 A324	A318-G320 PolarHBondContact O-N 2.94Å; G320-A324 WeakPolarHBondContact O-CB 3.29Å; G320-A324 PolarHBondContact O-N 2.84Å; G320-A324 VanDerWaalsContact O-N 3.14Å
321	E	97.9	Very high	98.4	Very high	66 Å²	66	48.7 Å²	48.7	31%	0.308	27%	0.266	S	S	.	.	H	α-helix	trans	-73.6	-38.8	-179.7	-175.7	171.7	160.3	0	0	112.1	K202 T203 A318 M319 A324 S325	K202-E321 WeakPolarHBondContact CE-OE2 3.38Å; K202-E321 VanDerWaalsContact CG-OE2 3.31Å; K202-E321 WeakPolarHBondContact CG-OE2 3.48Å; T203-E321 HydrophobicContact CG2-CB 3.97Å; T203-E321 HydrophobicContact CG2-CG 3.86Å; A318-E321 PolarHBondContact O-N 3.47Å; M319-E321 VanDerWaalsContact C-N 3.33Å; M319-E321 PolarHBondContact O-N 3.27Å; E321-A324 PolarHBondContact O-N 3.35Å; E321-S325 WeakPolarHBondContact O-CB 3.2Å; E321-S325 PolarHBondContact O-N 3.09Å; E321-S325 PolarHBondContact O-OG 2.9Å
322	L	98.4	Very high	98.3	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.9	-49.6	174.6	-77	172.9	0	0	0	111.3	T203 F276 F287 A318 M319 A324 S325 I326	T203-L322 HydrophobicContact CG2-CD2 3.97Å; T203-L322 HydrophobicContact CG2-CG 3.81Å; F276-L322 HydrophobicContact CE2-CD2 3.99Å; F276-L322 HydrophobicContact CZ-CD2 4.4Å; F287-L322 HydrophobicContact CD2-CD1 3.75Å; F287-L322 HydrophobicContact CE2-CD1 3.63Å; A318-L322 HydrophobicContact CB-CD1 4.35Å; A318-L322 PolarHBondContact O-N 3.22Å; M319-L322 HydrophobicContact CE-CD1 3.94Å; M319-L322 PolarHBondContact O-N 2.71Å; L322-A324 VanDerWaalsContact C-N 3.3Å; L322-A324 PolarHBondContact O-N 3.19Å; L322-S325 PolarHBondContact O-N 3.14Å; L322-I326 WeakPolarHBondContact O-CB 3.47Å; L322-I326 WeakPolarHBondContact O-CD1 3.45Å; L322-I326 VanDerWaalsContact O-CG1 3.22Å; L322-I326 WeakPolarHBondContact O-CG1 3.24Å; L322-I326 PolarHBondContact O-N 3.1Å
323	K	98.6	Very high	98.3	Very high	86 Å²	86	44.8 Å²	44.8	37%	0.374	25%	0.247	S	C	.	.	H	α-helix	trans	-55.8	-45.1	176.4	-75.6	173.9	172.6	173.8	0	112	E283 M319 I326 K327	E283-K323 WeakPolarHBondContact OE1-CE 3.31Å; E283-K323 IonicContact OE1-NZ 3.26Å; E283-K323 PolarHBondContact OE1-NZ 3.27Å; E283-K323 WeakPolarHBondContact OE2-CE 3.46Å; E283-K323 IonicContact OE2-NZ 2.67Å; E283-K323 PolarHBondContact OE2-NZ 2.79Å; M319-K323 WeakPolarHBondContact O-CB 3.48Å; M319-K323 WeakPolarHBondContact O-CG 3.37Å; M319-K323 PolarHBondContact O-N 3.33Å; K323-I326 PolarHBondContact O-N 3.41Å; K323-K327 VanDerWaalsContact O-CB 3.29Å; K323-K327 WeakPolarHBondContact O-CB 3.4Å; K323-K327 PolarHBondContact O-N 3.33Å
324	A	98.4	Very high	98.1	Very high	63 Å²	63	42.3 Å²	42.3	52%	0.521	25%	0.251	S	S	.	.	H	α-helix	trans	-63.6	-44.8	178.1	0	0	0	0	0	112	G320 E321 L322 K327 K328	G320-A324 WeakPolarHBondContact O-CB 3.29Å; G320-A324 PolarHBondContact O-N 2.84Å; G320-A324 VanDerWaalsContact O-N 3.14Å; E321-A324 PolarHBondContact O-N 3.35Å; L322-A324 VanDerWaalsContact C-N 3.3Å; L322-A324 PolarHBondContact O-N 3.19Å; A324-K327 PolarHBondContact O-N 3.45Å; A324-K328 WeakPolarHBondContact O-CB 3.49Å; A324-K328 PolarHBondContact O-N 3.12Å
325	S	98.3	Very high	97.9	Very high	24 Å²	24	49 Å²	49	17%	0.168	28%	0.28	C	S	.	.	H	α-helix	trans	-65	-41.5	178.8	-59	0	0	0	0	112.1	S145 E321 L322 K328 G329	S145-S325 WeakPolarHBondContact CB-O 3.18Å; S145-S325 PolarHBondContact OG-O 2.98Å; E321-S325 WeakPolarHBondContact O-CB 3.2Å; E321-S325 PolarHBondContact O-N 3.09Å; E321-S325 PolarHBondContact O-OG 2.9Å; L322-S325 PolarHBondContact O-N 3.14Å; S325-K328 PolarHBondContact O-N 3.05Å; S325-G329 PolarHBondContact O-N 2.91Å
326	I	98.7	Very high	97.3	Very high	6 Å²	6	51.1 Å²	51.1	3%	0.031	29%	0.289	C	S	.	.	H	α-helix	trans	-62.8	-53.3	177	-70.6	163.2	0	0	0	109.9	P148 F276 C284 Y286 L322 K323 K328 G329 E330	P148-I326 HydrophobicContact CG-CB 4.27Å; P148-I326 HydrophobicContact CG-CG1 4.16Å; P148-I326 HydrophobicContact CG-CG2 4.14Å; F276-I326 HydrophobicContact CZ-CD1 4.4Å; F276-I326 HydrophobicContact CZ-CG1 4.32Å; C284-I326 HydrophobicContact CB-CD1 3.98Å; Y286-I326 HydrophobicContact CD2-CD1 4.21Å; Y286-I326 HydrophobicContact CD2-CG1 4.09Å; Y286-I326 HydrophobicContact CD2-CG2 3.71Å; Y286-I326 HydrophobicContact CE2-CG2 4.04Å; L322-I326 WeakPolarHBondContact O-CB 3.47Å; L322-I326 WeakPolarHBondContact O-CD1 3.45Å; L322-I326 VanDerWaalsContact O-CG1 3.22Å; L322-I326 WeakPolarHBondContact O-CG1 3.24Å; L322-I326 PolarHBondContact O-N 3.1Å; K323-I326 PolarHBondContact O-N 3.41Å; I326-K328 VanDerWaalsContact C-N 3.26Å; I326-K328 PolarHBondContact O-N 2.94Å; I326-G329 PolarHBondContact O-N 3.37Å; I326-E330 HydrophobicContact CG2-CG 4.39Å; I326-E330 PolarHBondContact O-N 3.49Å
327	K	98.4	Very high	95.6	Very high	115 Å²	115	61 Å²	61	50%	0.5	32%	0.32	S	S	.	.	H	α-helix	trans	-57.9	-40	179.4	177.6	162.3	173.2	40.7	0	111.8	K323 A324 G329 E330 D331	K323-K327 VanDerWaalsContact O-CB 3.29Å; K323-K327 WeakPolarHBondContact O-CB 3.4Å; K323-K327 PolarHBondContact O-N 3.33Å; A324-K327 PolarHBondContact O-N 3.45Å; K327-G329 VanDerWaalsContact C-N 3.3Å; K327-G329 PolarHBondContact O-N 3.35Å; K327-E330 PolarHBondContact O-N 2.82Å; K327-D331 WeakPolarHBondContact CE-OD2 3.38Å; K327-D331 WeakPolarHBondContact CG-OD2 3.34Å; K327-D331 IonicContact NZ-OD1 2.8Å; K327-D331 PolarHBondContact NZ-OD1 3.36Å; K327-D331 IonicContact NZ-OD2 2.67Å; K327-D331 PolarHBondContact NZ-OD2 2.8Å; K327-D331 VanDerWaalsContact O-CB 3.27Å; K327-D331 WeakPolarHBondContact O-CB 3.23Å; K327-D331 PolarHBondContact O-N 3.46Å
328	K	98.1	Very high	95.5	Very high	73 Å²	73	60.1 Å²	60.1	32%	0.317	32%	0.315	S	S	.	.	H	α-helix	trans	-59.2	-40.6	176.5	-164.9	-176.2	-169.5	-179.3	0	112.3	D110 F113 A324 S325 I326 F332	D110-K328 IonicContact OD1-NZ 3.8Å; D110-K328 PolarHBondContact OD1-NZ 3.09Å; F113-K328 HydrophobicContact CD1-CD 4.02Å; F113-K328 HydrophobicContact CD1-CG 4.38Å; F113-K328 HydrophobicContact CD2-CD 4.18Å; F113-K328 HydrophobicContact CE1-CD 3.95Å; F113-K328 HydrophobicContact CE1-CG 3.81Å; F113-K328 HydrophobicContact CE2-CD 4.13Å; F113-K328 HydrophobicContact CE2-CG 4.22Å; F113-K328 HydrophobicContact CG-CD 4.13Å; F113-K328 HydrophobicContact CZ-CB 4.49Å; F113-K328 HydrophobicContact CZ-CD 4.01Å; F113-K328 HydrophobicContact CZ-CG 3.71Å; A324-K328 WeakPolarHBondContact O-CB 3.49Å; A324-K328 PolarHBondContact O-N 3.12Å; S325-K328 PolarHBondContact O-N 3.05Å; I326-K328 VanDerWaalsContact C-N 3.26Å; I326-K328 PolarHBondContact O-N 2.94Å; K328-F332 WeakPolarHBondContact O-CB 3.36Å; K328-F332 PolarHBondContact O-N 3.23Å; K328-F332 VanDerWaalsContact O-N 3.15Å
329	G	98.3	Very high	95.3	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-68.8	-45.2	175.8	0	0	0	0	0	113.1	I149 S325 I326 K327 F332 V333	I149-G329 WeakPolarHBondContact CG1-O 3.41Å; S325-G329 PolarHBondContact O-N 2.91Å; I326-G329 PolarHBondContact O-N 3.37Å; K327-G329 VanDerWaalsContact C-N 3.3Å; K327-G329 PolarHBondContact O-N 3.35Å; G329-F332 WeakPolarHBondContact O-CB 3.5Å; G329-F332 PolarHBondContact O-N 3.05Å; G329-V333 PolarHBondContact O-N 3.22Å
330	E	98.4	Very high	95.2	Very high	30 Å²	30	65.8 Å²	65.8	14%	0.14	35%	0.345	C	S	.	.	H	α-helix	trans	-61.3	-47.9	176.4	-65.1	-178	152.1	0	0	111.4	P148 E152 K285 I326 K327 F332 V333 A334	P148-E330 HydrophobicContact CB-CG 4.1Å; E152-E330 HydrophobicContact CG-CB 4.46Å; E152-E330 HydrophobicContact CG-CG 4.22Å; K285-E330 WeakPolarHBondContact CD-OE1 3.42Å; K285-E330 IonicContact NZ-OE1 3.88Å; K285-E330 PolarHBondContact NZ-OE1 2.97Å; K285-E330 IonicContact NZ-OE2 3.65Å; K285-E330 PolarHBondContact NZ-OE2 3.44Å; I326-E330 HydrophobicContact CG2-CG 4.39Å; I326-E330 PolarHBondContact O-N 3.49Å; K327-E330 PolarHBondContact O-N 2.82Å; E330-F332 VanDerWaalsContact C-N 3.27Å; E330-F332 PolarHBondContact O-N 2.78Å; E330-V333 PolarHBondContact O-N 3.38Å; E330-A334 PolarHBondContact O-N 3.42Å
331	D	98.1	Very high	95	Very high	55 Å²	55	66.7 Å²	66.7	29%	0.294	34%	0.335	S	S	.	.	H	α-helix	trans	-63.3	-32.1	179.6	-73	-10.4	0	0	0	112.4	K327 K335	K327-D331 WeakPolarHBondContact CE-OD2 3.38Å; K327-D331 WeakPolarHBondContact CG-OD2 3.34Å; K327-D331 IonicContact NZ-OD1 2.8Å; K327-D331 PolarHBondContact NZ-OD1 3.36Å; K327-D331 IonicContact NZ-OD2 2.67Å; K327-D331 PolarHBondContact NZ-OD2 2.8Å; K327-D331 VanDerWaalsContact O-CB 3.27Å; K327-D331 WeakPolarHBondContact O-CB 3.23Å; K327-D331 PolarHBondContact O-N 3.46Å; D331-K335 WeakPolarHBondContact O-CD 3.18Å; D331-K335 VanDerWaalsContact O-CG 3.26Å; D331-K335 WeakPolarHBondContact O-CG 3.49Å; D331-K335 PolarHBondContact O-N 3.42Å
332	F	97.8	Very high	94.8	Very high	33 Å²	33	66.8 Å²	66.8	15%	0.145	34%	0.336	C	S	.	.	H	α-helix	trans	-61.2	-51.5	175.6	177	-94.4	0	0	0	110.5	F113 A117 A121 I149 K328 G329 E330 A334 K335 M336	F113-F332 HydrophobicContact CE1-CB 4.47Å; F113-F332 HydrophobicContact CE1-CD2 4.27Å; F113-F332 HydrophobicContact CZ-CB 4.17Å; F113-F332 HydrophobicContact CZ-CG 4.49Å; A117-F332 HydrophobicContact CB-CD1 3.9Å; A117-F332 HydrophobicContact CB-CD2 3.98Å; A117-F332 HydrophobicContact CB-CE1 3.71Å; A117-F332 HydrophobicContact CB-CE2 3.8Å; A117-F332 HydrophobicContact CB-CG 4.03Å; A117-F332 HydrophobicContact CB-CZ 3.67Å; A121-F332 HydrophobicContact CB-CE1 4.16Å; I149-F332 HydrophobicContact CD1-CD1 4.07Å; I149-F332 HydrophobicContact CD1-CG 4.49Å; I149-F332 HydrophobicContact CG1-CD1 4.18Å; K328-F332 WeakPolarHBondContact O-CB 3.36Å; K328-F332 PolarHBondContact O-N 3.23Å; K328-F332 VanDerWaalsContact O-N 3.15Å; G329-F332 WeakPolarHBondContact O-CB 3.5Å; G329-F332 PolarHBondContact O-N 3.05Å; E330-F332 VanDerWaalsContact C-N 3.27Å; E330-F332 PolarHBondContact O-N 2.78Å; F332-A334 PolarHBondContact O-N 3.16Å; F332-K335 PolarHBondContact O-N 3.46Å; F332-M336 HydrophobicContact CD1-CG 4.34Å; F332-M336 HydrophobicContact CD1-SD 3.85Å; F332-M336 HydrophobicContact CE1-CE 4.49Å; F332-M336 HydrophobicContact CE1-CG 4.04Å; F332-M336 HydrophobicContact CE1-SD 3.35Å; F332-M336 WeakPolarHBondContact CE1-SD 3.33Å; F332-M336 HydrophobicContact CZ-CG 4.43Å; F332-M336 HydrophobicContact CZ-SD 4.12Å; F332-M336 WeakPolarHBondContact O-CG 3.35Å; F332-M336 PolarHBondContact O-N 3.04Å
333	V	97.3	Very high	94.6	Very high	2 Å²	2	71.2 Å²	71.2	1%	0.012	36%	0.359	C	S	.	.	H	α-helix	trans	-68.4	-35.5	-179.6	179.8	0	0	0	0	111.8	I149 E152 V153 K156 G329 E330 K335 M336	I149-V333 HydrophobicContact CB-CG2 4.05Å; I149-V333 HydrophobicContact CG1-CG2 4.07Å; I149-V333 HydrophobicContact CG2-CG2 3.79Å; E152-V333 HydrophobicContact CB-CB 3.81Å; E152-V333 HydrophobicContact CB-CG1 3.69Å; E152-V333 HydrophobicContact CB-CG2 4.06Å; V153-V333 HydrophobicContact CG2-CG1 4.09Å; V153-V333 HydrophobicContact CG2-CG2 4.05Å; K156-V333 HydrophobicContact CD-CG1 4.03Å; K156-V333 PolarHBondContact NZ-O 3.18Å; G329-V333 PolarHBondContact O-N 3.22Å; E330-V333 PolarHBondContact O-N 3.38Å; V333-K335 PolarHBondContact O-N 3.42Å; V333-M336 HydrophobicContact CG2-SD 4.5Å; V333-M336 WeakPolarHBondContact O-CB 3.34Å; V333-M336 PolarHBondContact O-N 3.42Å; V333-M336 VanDerWaalsContact O-N 3.13Å
334	A	95.7	Very high	94.3	Very high	81 Å²	81	70.1 Å²	70.1	67%	0.669	36%	0.358	S	S	*	.	H	α-helix	trans	-60.2	-29.3	174.7	0	0	0	0	0	112.8	E330 F332	E330-A334 PolarHBondContact O-N 3.42Å; F332-A334 PolarHBondContact O-N 3.16Å
335	K	94	Very high	94	Very high	167 Å²	167	70.7 Å²	70.7	73%	0.726	35%	0.345	S	S	*	.	H	α-helix	trans	-87.6	-16.9	176.9	-67.9	169.3	-172.9	174.8	0	113.8	D331 F332 V333 K337	D331-K335 WeakPolarHBondContact O-CD 3.18Å; D331-K335 VanDerWaalsContact O-CG 3.26Å; D331-K335 WeakPolarHBondContact O-CG 3.49Å; D331-K335 PolarHBondContact O-N 3.42Å; F332-K335 PolarHBondContact O-N 3.46Å; V333-K335 PolarHBondContact O-N 3.42Å; K335-K337 PolarHBondContact O-N 2.67Å
336	M	86.6	Confident	93.6	Very high	60 Å²	60	74.6 Å²	74.6	30%	0.296	36%	0.36	S	S	.	.			trans	-68.8	110.8	172.7	-67.7	-180	75.5	0	0	108.9	A121 K156 F332 V333	A121-M336 HydrophobicContact CB-CE 3.74Å; A121-M336 HydrophobicContact CB-SD 3.66Å; K156-M336 PolarHBondContact NZ-O 3.06Å; F332-M336 HydrophobicContact CD1-CG 4.34Å; F332-M336 HydrophobicContact CD1-SD 3.85Å; F332-M336 HydrophobicContact CE1-CE 4.49Å; F332-M336 HydrophobicContact CE1-CG 4.04Å; F332-M336 HydrophobicContact CE1-SD 3.35Å; F332-M336 WeakPolarHBondContact CE1-SD 3.33Å; F332-M336 HydrophobicContact CZ-CG 4.43Å; F332-M336 HydrophobicContact CZ-SD 4.12Å; F332-M336 WeakPolarHBondContact O-CG 3.35Å; F332-M336 PolarHBondContact O-N 3.04Å; V333-M336 HydrophobicContact CG2-SD 4.5Å; V333-M336 WeakPolarHBondContact O-CB 3.34Å; V333-M336 PolarHBondContact O-N 3.42Å; V333-M336 VanDerWaalsContact O-N 3.13Å
337	K	62.4	Low	93.2	Very high	273 Å²	273	80.8 Å²	80.8	100%	1.187	39%	0.39	S	S	*	.			trans	-70.1	0	172.4	-69.3	-175.3	177.8	-178.6	0	110.9	K335	K335-K337 PolarHBondContact O-N 2.67Å

Retrieved 337 of 337 residues in 899.9 ms (Link to these results)

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