A0A087XG40_POEFO Loading...

Iduronate 2-sulfatase

Lysosomal enzyme involved in the degradation pathway of dermatan sulfate and heparan sulfate.

AlphaFold DB , UniProt , Accession A0A087XG40, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 562 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	41.3	Very low	40.9	Very low	247 Å²	247	160.8 Å²	160.8	100%	1.217	85%	0.847	S	S	*	*				0	103.1	0	-77.3	172	-175.4	0	0	108.6
2	N	33.2	Very low	41	Very low	163 Å²	163	158.7 Å²	158.7	87%	0.872	84%	0.835	S	S	*	*			trans	159.2	104.4	138.6	-108.9	-11.3	0	0	0	108.8
3	P	42.6	Very low	41.1	Very low	130 Å²	130	162.7 Å²	162.7	84%	0.844	83%	0.833	S	S	*	*			trans	-91.2	118.1	169.6	33	-23.2	0	0	0	109
4	G	42.4	Very low	41.2	Very low	66 Å²	66	160.8 Å²	160.8	68%	0.68	82%	0.824	S	S	*	*			trans	-105.6	137.9	158.6	0	0	0	0	0	108.3
5	V	46.4	Very low	41.1	Very low	139 Å²	139	162.1 Å²	162.1	84%	0.842	81%	0.814	S	S	*	*			trans	133.8	92.8	160.8	177	0	0	0	0	109.3
6	F	42.4	Very low	41	Very low	198 Å²	198	158.7 Å²	158.7	87%	0.868	81%	0.811	S	S	*	*			trans	-157.1	103.3	148.6	-107	-77.2	0	0	0	107.1
7	T	40.2	Very low	40.8	Very low	135 Å²	135	161.7 Å²	161.7	83%	0.828	81%	0.81	S	S	*	*			trans	-138.9	88.1	168.3	-32.1	0	0	0	0	108.3
8	W	39.3	Very low	40.5	Very low	212 Å²	212	159.8 Å²	159.8	80%	0.803	81%	0.808	S	S	*	*			trans	22.8	99.2	142.9	-69.7	86.7	0	0	0	118.4	F10	W8-F10 HydrophobicContact CE3-CB 4.49Å; W8-F10 AromaticContact CE3-CD2 3.86Å; W8-F10 HydrophobicContact CE3-CD2 3.86Å; W8-F10 AromaticContact CZ3-CD2 3.81Å; W8-F10 HydrophobicContact CZ3-CD2 3.81Å; W8-F10 HydrophobicContact CZ3-CE2 4.14Å; W8-F10 PolarHBondContact O-N 3.46Å
9	L	41	Very low	40.3	Very low	152 Å²	152	159.6 Å²	159.6	80%	0.796	81%	0.809	S	S	*	*			trans	-81.6	94.5	148.8	-86.5	156.5	0	0	0	108.6	L11	L9-L11 HydrophobicContact CD2-CD1 4.08Å
10	F	40.1	Very low	40	Very low	172 Å²	172	156 Å²	156	75%	0.754	80%	0.804	S	S	*	*			trans	-127.8	74.4	158.5	-117.2	-91.9	0	0	0	107.1	W8 L12	W8-F10 HydrophobicContact CE3-CB 4.49Å; W8-F10 AromaticContact CE3-CD2 3.86Å; W8-F10 HydrophobicContact CE3-CD2 3.86Å; W8-F10 AromaticContact CZ3-CD2 3.81Å; W8-F10 HydrophobicContact CZ3-CD2 3.81Å; W8-F10 HydrophobicContact CZ3-CE2 4.14Å; W8-F10 PolarHBondContact O-N 3.46Å; F10-L12 PolarHBondContact O-N 2.62Å
11	L	41.3	Very low	39.7	Very low	155 Å²	155	152.7 Å²	152.7	81%	0.812	80%	0.8	S	S	*	*			trans	-69.4	101.2	171.2	-93.4	156.4	0	0	0	108.3	L9 W13	L9-L11 HydrophobicContact CD2-CD1 4.08Å; L11-W13 PolarHBondContact O-N 2.91Å; L11-W13 VanDerWaalsContact O-N 3.08Å
12	L	41.4	Very low	39.4	Very low	135 Å²	135	145.2 Å²	145.2	71%	0.707	78%	0.778	S	S	*	*			trans	-26.1	103.7	159.8	-78.2	128.7	0	0	0	112.8	F10 L14	F10-L12 PolarHBondContact O-N 2.62Å; L12-L14 HydrophobicContact CB-CD1 4.1Å; L12-L14 HydrophobicContact CB-CG 4.33Å; L12-L14 HydrophobicContact CD2-CD1 3.65Å; L12-L14 HydrophobicContact CD2-CG 3.86Å; L12-L14 HydrophobicContact CG-CD1 4.37Å; L12-L14 PolarHBondContact O-N 3.11Å
13	W	43.1	Very low	39.7	Very low	211 Å²	211	143.2 Å²	143.2	80%	0.799	77%	0.771	S	S	*	*			trans	-74.9	68.3	152.9	-141.6	69.4	0	0	0	107.7	L11 R15	L11-W13 PolarHBondContact O-N 2.91Å; L11-W13 VanDerWaalsContact O-N 3.08Å; W13-R15 HydrophobicContact CE3-CG 3.71Å; W13-R15 HydrophobicContact CH2-CG 4.41Å; W13-R15 HydrophobicContact CZ3-CG 3.67Å; W13-R15 PolarHBondContact O-N 3.48Å
14	L	42.3	Very low	40.1	Very low	136 Å²	136	141.4 Å²	141.4	71%	0.712	77%	0.767	S	S	*	*			trans	-66.6	90.4	164.9	-97.5	153.8	0	0	0	106.2	L12 S16	L12-L14 HydrophobicContact CB-CD1 4.1Å; L12-L14 HydrophobicContact CB-CG 4.33Å; L12-L14 HydrophobicContact CD2-CD1 3.65Å; L12-L14 HydrophobicContact CD2-CG 3.86Å; L12-L14 HydrophobicContact CG-CD1 4.37Å; L12-L14 PolarHBondContact O-N 3.11Å; L14-S16 VanDerWaalsContact C-N 3.32Å; L14-S16 PolarHBondContact O-N 3.13Å
15	R	40.2	Very low	41.1	Very low	180 Å²	180	146.5 Å²	146.5	68%	0.679	77%	0.773	S	S	*	*			trans	-52.5	105.8	157.9	-79.9	-170.4	172.8	176.7	6.3	106.3	W13 R17	W13-R15 HydrophobicContact CE3-CG 3.71Å; W13-R15 HydrophobicContact CH2-CG 4.41Å; W13-R15 HydrophobicContact CZ3-CG 3.67Å; W13-R15 PolarHBondContact O-N 3.48Å; R15-R17 PolarHBondContact O-N 3.02Å
16	S	38.7	Very low	42.6	Very low	108 Å²	108	146.6 Å²	146.6	76%	0.755	76%	0.759	S	S	*	*			trans	-56.3	83.4	160.5	48.2	0	0	0	0	108	L14 T18	L14-S16 VanDerWaalsContact C-N 3.32Å; L14-S16 PolarHBondContact O-N 3.13Å; S16-T18 PolarHBondContact O-N 3.42Å
17	R	37.8	Very low	44.8	Very low	210 Å²	210	139 Å²	139	79%	0.792	73%	0.73	S	S	*	*			trans	-69.2	89.8	153.7	-72.9	-171.6	177.1	-170	-0.4	104.5	R15 L19	R15-R17 PolarHBondContact O-N 3.02Å; R17-L19 PolarHBondContact O-N 3.44Å
18	T	35.3	Very low	47.5	Very low	127 Å²	127	133.3 Å²	133.3	78%	0.779	69%	0.694	S	S	*	*			trans	-54.2	96	150.7	42.7	0	0	0	0	105.4	S16 A20	S16-T18 PolarHBondContact O-N 3.42Å; T18-A20 PolarHBondContact O-N 2.67Å
19	L	37.1	Very low	50.4	Low	157 Å²	157	123.2 Å²	123.2	82%	0.822	66%	0.656	S	S	*	*			trans	-59.5	93.1	150.8	-96.3	88	0	0	0	103.5	R17 A21	R17-L19 PolarHBondContact O-N 3.44Å; L19-A21 PolarHBondContact O-N 2.76Å
20	A	33.1	Very low	53.1	Low	86 Å²	86	116 Å²	116	71%	0.711	62%	0.618	S	S	*	*			trans	-53.2	106.8	147.8	0	0	0	0	0	103.4	T18 A22	T18-A20 PolarHBondContact O-N 2.67Å; A20-A22 PolarHBondContact O-N 3.25Å
21	A	34.3	Very low	55.9	Low	87 Å²	87	107.8 Å²	107.8	72%	0.719	58%	0.582	S	S	*	*			trans	-53	105.6	160.4	0	0	0	0	0	103.5	L19 T23	L19-A21 PolarHBondContact O-N 2.76Å; A21-T23 PolarHBondContact O-N 2.7Å
22	A	36	Very low	58.7	Low	91 Å²	91	100.4 Å²	100.4	75%	0.752	54%	0.544	S	S	*	.			trans	-56	101.3	167.7	0	0	0	0	0	103.6	A20 A24	A20-A22 PolarHBondContact O-N 3.25Å; A22-A24 VanDerWaalsContact C-N 3.28Å; A22-A24 PolarHBondContact O-N 2.87Å
23	T	38.8	Very low	61.4	Low	120 Å²	120	94 Å²	94	74%	0.736	51%	0.51	S	S	*	.			trans	-50.1	109.2	159.6	41.3	0	0	0	0	103.1	A21 E25	A21-T23 PolarHBondContact O-N 2.7Å; T23-E25 VanDerWaalsContact C-N 3.33Å; T23-E25 PolarHBondContact O-N 3.5Å
24	A	50.1	Low	64	Low	92 Å²	92	84 Å²	84	76%	0.76	47%	0.472	S	S	*	.			trans	-49.7	108.2	177.1	0	0	0	0	0	105.6	A22 R26	A22-A24 VanDerWaalsContact C-N 3.28Å; A22-A24 PolarHBondContact O-N 2.87Å; A24-R26 PolarHBondContact O-N 3.5Å; A24-R26 VanDerWaalsContact O-N 3.11Å
25	E	64.3	Low	66.7	Low	174 Å²	174	77.6 Å²	77.6	81%	0.813	44%	0.439	S	S	*	.			trans	-59.6	123.9	-174.7	-82.2	-174.6	156.7	0	0	106.2	T23 S27	T23-E25 VanDerWaalsContact C-N 3.33Å; T23-E25 PolarHBondContact O-N 3.5Å; E25-S27 PolarHBondContact O-N 3Å
26	R	77.1	Confident	69.5	Low	141 Å²	141	69 Å²	69	53%	0.532	41%	0.407	S	S	.	.			trans	-61.8	114.2	-176.5	-72.5	179.2	178.9	177	-4.6	108.1	A24 K116 Y118 P208	A24-R26 PolarHBondContact O-N 3.5Å; A24-R26 VanDerWaalsContact O-N 3.11Å; R26-K116 PolarHBondContact NH1-O 2.87Å; R26-Y118 HydrophobicContact CB-CE2 4.49Å; R26-P208 HydrophobicContact CB-CB 4.31Å; R26-P208 HydrophobicContact CB-CG 4.16Å
27	S	89.9	Confident	72.4	Confident	38 Å²	38	63.9 Å²	63.9	27%	0.266	37%	0.371	S	S	.	.			trans	-66.9	143.6	-178.1	-50	0	0	0	0	111.1	E25 Y118 S316	E25-S27 PolarHBondContact O-N 3Å; S27-Y118 VanDerWaalsContact O-CE1 3.22Å; S27-Y118 WeakPolarHBondContact O-CE1 3.25Å; S27-Y118 PolarHBondContact O-OH 2.88Å; S27-S316 CarbonylContact C-O 3.45Å; S27-S316 WeakPolarHBondContact CA-O 3.09Å
28	N	97.4	Very high	75.3	Confident	15 Å²	15	55.4 Å²	55.4	8%	0.08	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	161.5	168.4	-56.6	-58.9	0	0	0	110.5	P208 F209 S316 T317 M318	N28-P208 VanDerWaalsContact OD1-CA 3.25Å; N28-P208 WeakPolarHBondContact OD1-CA 3.45Å; N28-F209 CarbonylContact C-O 3.59Å; N28-F209 WeakPolarHBondContact CA-O 3.41Å; N28-F209 HydrophobicContact CB-CD1 3.92Å; N28-F209 HydrophobicContact CB-CD2 4.15Å; N28-F209 HydrophobicContact CB-CE1 3.6Å; N28-F209 HydrophobicContact CB-CE2 3.84Å; N28-F209 HydrophobicContact CB-CG 4.19Å; N28-F209 HydrophobicContact CB-CZ 3.55Å; N28-F209 VanDerWaalsContact CG-CD1 3.5Å; N28-F209 WeakPolarHBondContact OD1-CD1 3.43Å; N28-F209 WeakPolarHBondContact OD1-CE1 3.43Å; N28-F209 PolarHBondContact OD1-N 2.84Å; N28-S316 PolarHBondContact N-O 3.41Å; N28-S316 PolarHBondContact ND2-O 3.09Å; N28-S316 PolarHBondContact ND2-OG 3.1Å; N28-T317 HydrophobicContact CB-CG2 3.93Å; N28-T317 WeakPolarHBondContact CB-OG1 2.93Å; N28-T317 WeakPolarHBondContact O-CA 3.46Å; N28-M318 PolarHBondContact O-N 3.08Å
29	V	98.6	Very high	78.3	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	123.1	173.5	-177.3	0	0	0	0	109.8	F31 F113 F209 F210 L211 M318 V400 A404	V29-F31 HydrophobicContact CG1-CB 4.44Å; V29-F113 HydrophobicContact CG2-CD1 4.38Å; V29-F113 HydrophobicContact CG2-CE1 3.57Å; V29-F113 HydrophobicContact CG2-CZ 4.06Å; V29-F209 PolarHBondContact N-O 2.86Å; V29-F210 HydrophobicContact CB-CD2 3.66Å; V29-F210 HydrophobicContact CB-CE2 4.2Å; V29-F210 HydrophobicContact CB-CG 4.4Å; V29-F210 HydrophobicContact CG1-CD2 3.73Å; V29-F210 HydrophobicContact CG1-CE2 3.73Å; V29-F210 HydrophobicContact CG2-CD2 4.24Å; V29-F210 CarbonylContact O-C 3.54Å; V29-F210 WeakPolarHBondContact O-CA 3.28Å; V29-L211 PolarHBondContact O-N 2.75Å; V29-M318 WeakPolarHBondContact CA-O 3.4Å; V29-V400 HydrophobicContact CG1-CG1 4.12Å; V29-V400 HydrophobicContact CG2-CG1 4.46Å; V29-A404 HydrophobicContact CG2-CB 4.44Å
30	L	98.9	Very high	81.2	Confident	0 Å²	0	43 Å²	43	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	105.4	164.6	177.1	59.6	0	0	0	108.2	I32 L211 V213 T317 M318 V319 V320	L30-I32 HydrophobicContact CD1-CG1 4.23Å; L30-I32 HydrophobicContact CD2-CD1 4.04Å; L30-I32 HydrophobicContact CD2-CG1 4.4Å; L30-I32 HydrophobicContact CG-CD1 4.09Å; L30-I32 HydrophobicContact CG-CG1 3.91Å; L30-L211 WeakPolarHBondContact CA-O 3.48Å; L30-L211 HydrophobicContact CD1-CB 4.3Å; L30-L211 HydrophobicContact CD1-CD2 4.05Å; L30-L211 HydrophobicContact CD1-CG 4.09Å; L30-V213 HydrophobicContact CD1-CG2 4.05Å; L30-T317 HydrophobicContact CB-CG2 4Å; L30-M318 PolarHBondContact N-O 2.92Å; L30-V319 HydrophobicContact CB-CG2 4.29Å; L30-V319 HydrophobicContact CD2-CG1 4.46Å; L30-V319 HydrophobicContact CD2-CG2 4.33Å; L30-V319 WeakPolarHBondContact O-CA 3.13Å; L30-V320 PolarHBondContact O-N 3.3Å
31	F	98.9	Very high	84.3	Confident	1 Å²	1	38.9 Å²	38.9	0%	0.004	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	110	179.7	-175.4	-87.7	0	0	0	109.6	V29 M33 M81 L109 F210 L211 A212 V213 V320 T322 I396	V29-F31 HydrophobicContact CG1-CB 4.44Å; F31-M33 HydrophobicContact CE1-CB 4.13Å; F31-M33 HydrophobicContact CE1-CE 4.17Å; F31-M33 HydrophobicContact CZ-CE 4.24Å; F31-M81 HydrophobicContact CE1-CE 4.08Å; F31-M81 HydrophobicContact CZ-CE 3.72Å; F31-M81 HydrophobicContact CZ-SD 3.89Å; F31-L109 HydrophobicContact CD2-CD2 4.45Å; F31-L109 HydrophobicContact CE2-CD2 4.48Å; F31-F210 HydrophobicContact CB-CE1 4.39Å; F31-F210 HydrophobicContact CB-CE2 4.39Å; F31-F210 HydrophobicContact CB-CZ 3.89Å; F31-F210 HydrophobicContact CG-CZ 4.24Å; F31-L211 PolarHBondContact N-O 2.95Å; F31-A212 HydrophobicContact CB-CB 4.35Å; F31-A212 HydrophobicContact CD1-CB 4.25Å; F31-A212 CarbonylContact O-C 3.6Å; F31-A212 VanDerWaalsContact O-CA 3.24Å; F31-A212 WeakPolarHBondContact O-CA 3.43Å; F31-V213 PolarHBondContact O-N 3.08Å; F31-V320 HydrophobicContact CD2-CB 3.82Å; F31-V320 HydrophobicContact CD2-CG1 3.86Å; F31-V320 HydrophobicContact CD2-CG2 4.45Å; F31-V320 HydrophobicContact CE2-CB 4.25Å; F31-V320 HydrophobicContact CE2-CG1 3.75Å; F31-T322 HydrophobicContact CE2-CG2 4.5Å; F31-T322 HydrophobicContact CZ-CG2 3.94Å; F31-I396 HydrophobicContact CE2-CG2 3.77Å
32	I	98.9	Very high	87.3	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	129	-177.9	-53.1	175	0	0	0	108.9	L30 V213 F215 V301 L304 V319 V320 F321 T322	L30-I32 HydrophobicContact CD1-CG1 4.23Å; L30-I32 HydrophobicContact CD2-CD1 4.04Å; L30-I32 HydrophobicContact CD2-CG1 4.4Å; L30-I32 HydrophobicContact CG-CD1 4.09Å; L30-I32 HydrophobicContact CG-CG1 3.91Å; I32-V213 WeakPolarHBondContact CA-O 3.46Å; I32-F215 HydrophobicContact CG2-CD2 3.93Å; I32-F215 HydrophobicContact CG2-CE2 3.79Å; I32-V301 HydrophobicContact CD1-CG1 4.34Å; I32-V301 HydrophobicContact CG2-CG2 4.32Å; I32-L304 HydrophobicContact CD1-CD1 4.33Å; I32-V319 HydrophobicContact CD1-CG1 4.02Å; I32-V320 PolarHBondContact N-O 3.29Å; I32-F321 HydrophobicContact CB-CD2 3.95Å; I32-F321 HydrophobicContact CG2-CD2 3.64Å; I32-F321 HydrophobicContact CG2-CE2 3.97Å; I32-F321 WeakPolarHBondContact O-CA 3.41Å; I32-T322 PolarHBondContact O-N 3.02Å
33	M	98.4	Very high	90.2	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	140.8	173.2	175	175.8	-77.2	0	0	110.5	F31 R78 M81 V213 G214 F215 T322 D324	F31-M33 HydrophobicContact CE1-CB 4.13Å; F31-M33 HydrophobicContact CE1-CE 4.17Å; F31-M33 HydrophobicContact CZ-CE 4.24Å; M33-R78 HydrophobicContact SD-CG 4.18Å; M33-R78 VanDerWaalsContact SD-CZ 3.53Å; M33-R78 PolarHBondContact SD-NH1 2.95Å; M33-M81 HydrophobicContact CE-CE 3.14Å; M33-M81 HydrophobicContact CE-SD 3.32Å; M33-M81 WeakPolarHBondContact CE-SD 3.45Å; M33-M81 HydrophobicContact SD-CE 4.43Å; M33-V213 PolarHBondContact N-O 3.38Å; M33-G214 CarbonylContact O-C 3.47Å; M33-G214 WeakPolarHBondContact O-CA 3.4Å; M33-F215 PolarHBondContact O-N 3.32Å; M33-T322 VanDerWaalsContact CA-O 3.29Å; M33-T322 WeakPolarHBondContact CA-O 3.12Å; M33-T322 HydrophobicContact CE-CG2 3.87Å; M33-D324 HydrophobicContact CE-CB 4.41Å; M33-D324 HydrophobicContact SD-CB 3.96Å
34	S	98.4	Very high	93.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	144.3	168.3	174.6	0	0	0	0	110.5	L37 K217 P218 T322 S323 D324	S34-L37 WeakPolarHBondContact OG-CB 3.39Å; S34-K217 PolarHBondContact OG-O 3.11Å; S34-P218 VanDerWaalsContact OG-CD 3.25Å; S34-P218 WeakPolarHBondContact OG-CD 3.31Å; S34-T322 PolarHBondContact N-O 3.24Å; S34-S323 WeakPolarHBondContact O-CA 3.4Å; S34-S323 PolarHBondContact O-OG 2.99Å; S34-S323 VanDerWaalsContact O-OG 3.11Å; S34-D324 PolarHBondContact O-N 3.46Å
35	D	98.7	Very high	95.3	Very high	2 Å²	2	26 Å²	26	1%	0.011	14%	0.144	C	C	.	.	S	Bend	trans	-89.5	126.9	-179.7	-165.4	48	0	0	0	110.5	L37 C74 R78 K125 F215 P218 H219 D324	D35-L37 VanDerWaalsContact C-N 3.3Å; D35-L37 PolarHBondContact O-N 2.56Å; D35-C74 PolarHBondContact OD1-SG 3.08Å; D35-C74 VanDerWaalsContact OD1-SG 3.41Å; D35-R78 IonicContact OD1-CZ 3.71Å; D35-R78 IonicContact OD1-NE 3.35Å; D35-R78 IonicContact OD1-NH2 3.61Å; D35-R78 PolarHBondContact OD1-NH2 2.72Å; D35-K125 HydrophobicContact CB-CD 4.42Å; D35-K125 IonicContact OD1-NZ 3.08Å; D35-K125 PolarHBondContact OD1-NZ 3.47Å; D35-K125 WeakPolarHBondContact OD2-CD 3.38Å; D35-K125 IonicContact OD2-NZ 3.87Å; D35-K125 PolarHBondContact OD2-NZ 3.08Å; D35-F215 WeakPolarHBondContact CB-O 3.49Å; D35-F215 PolarHBondContact N-O 3.41Å; D35-P218 VanDerWaalsContact O-CD 3.27Å; D35-P218 WeakPolarHBondContact O-CD 3.3Å; D35-H219 HydrophobicContact CB-CB 4Å; D35-H219 PolarHBondContact O-N 2.86Å; D35-H219 VanDerWaalsContact O-N 3.08Å; D35-H219 VanDerWaalsContact OD2-CB 3.22Å; D35-H219 WeakPolarHBondContact OD2-CB 3.28Å; D35-H219 IonicContact OD2-CD2 3.69Å; D35-H219 PolarHBondContact OD2-CD2 2.95Å; D35-H219 IonicContact OD2-CG 2.94Å; D35-H219 VanDerWaalsContact OD2-CG 3.23Å; D35-D324 VanDerWaalsContact OD1-OD2 3.1Å
36	D	98.6	Very high	96.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	64.3	20.1	-176.5	-67.4	8.5	0	0	0	115.4	R38 H219 Y290 D324 H325 W327 K337	D36-R38 PolarHBondContact O-N 3.13Å; D36-H219 HydrophobicContact CB-CB 4.04Å; D36-H219 IonicContact OD1-CD2 2.79Å; D36-H219 PolarHBondContact OD1-CD2 3.43Å; D36-H219 IonicContact OD1-CG 3.15Å; D36-H219 IonicContact OD2-CD2 3.8Å; D36-H219 PolarHBondContact OD2-CD2 3.25Å; D36-H219 IonicContact OD2-CG 2.8Å; D36-H219 IonicContact OD2-NE2 3.37Å; D36-Y290 PolarHBondContact O-OH 2.98Å; D36-D324 PolarHBondContact N-OD1 2.54Å; D36-H325 CarbonylContact C-O 3.57Å; D36-H325 IonicContact OD1-CE1 3.28Å; D36-H325 PolarHBondContact OD1-CE1 2.71Å; D36-H325 IonicContact OD1-ND1 2.73Å; D36-H325 IonicContact OD1-NE2 3.62Å; D36-W327 HydrophobicContact CB-CG 4.42Å; D36-W327 WeakPolarHBondContact O-CB 3.41Å; D36-W327 VanDerWaalsContact OD2-CD1 3.23Å; D36-W327 PolarHBondContact OD2-NE1 2.93Å; D36-K337 VanDerWaalsContact CG-NZ 3.25Å; D36-K337 IonicContact OD1-NZ 3.47Å; D36-K337 PolarHBondContact OD1-NZ 2.73Å; D36-K337 IonicContact OD2-NZ 3.84Å; D36-K337 PolarHBondContact OD2-NZ 3.25Å
37	L	98.9	Very high	97.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	13%	0.129	C	C	.	.			trans	-82.9	114.9	179.7	179	66.8	0	0	0	112.3	S34 D35 P218 Y290 V294 M297 F321 S323 H325 P348	S34-L37 WeakPolarHBondContact OG-CB 3.39Å; D35-L37 VanDerWaalsContact C-N 3.3Å; D35-L37 PolarHBondContact O-N 2.56Å; L37-P218 HydrophobicContact CB-CG 4.23Å; L37-P218 HydrophobicContact CD1-CG 4.18Å; L37-Y290 WeakPolarHBondContact CA-OH 3.28Å; L37-V294 HydrophobicContact CD1-CG1 4.25Å; L37-V294 HydrophobicContact CD1-CG2 3.77Å; L37-M297 HydrophobicContact CD1-CE 4.28Å; L37-M297 HydrophobicContact CD2-CE 3.78Å; L37-F321 HydrophobicContact CD2-CE1 3.89Å; L37-F321 HydrophobicContact CD2-CZ 3.59Å; L37-S323 PolarHBondContact N-OG 2.72Å; L37-S323 VanDerWaalsContact N-OG 3.13Å; L37-S323 WeakPolarHBondContact O-CB 3.4Å; L37-S323 PolarHBondContact O-OG 3.31Å; L37-H325 CarbonylContact C-O 3.52Å; L37-H325 PolarHBondContact N-O 2.84Å; L37-H325 VanDerWaalsContact O-O 3.09Å; L37-P348 HydrophobicContact CD2-CG 3.89Å; L37-P348 HydrophobicContact CG-CG 4.12Å; L37-P348 WeakPolarHBondContact O-CD 3.48Å
38	R	98.7	Very high	98	Very high	32 Å²	32	19.3 Å²	19.3	12%	0.121	13%	0.126	C	C	.	.			trans	-81.2	176.7	165.4	75.5	-176.1	-71.7	169.6	-16.4	110.9	D36 S40 Y290 W327 E331	D36-R38 PolarHBondContact O-N 3.13Å; R38-S40 WeakPolarHBondContact CD-OG 3.46Å; R38-S40 WeakPolarHBondContact CG-OG 3.3Å; R38-S40 PolarHBondContact O-N 3.47Å; R38-Y290 HydrophobicContact CG-CE1 4.13Å; R38-Y290 PolarHBondContact N-OH 3.3Å; R38-W327 WeakPolarHBondContact CD-O 3.42Å; R38-W327 PolarHBondContact NH1-O 2.93Å; R38-E331 IonicContact CZ-OE1 3.88Å; R38-E331 IonicContact NH1-OE1 2.91Å; R38-E331 PolarHBondContact NH1-OE1 2.83Å; R38-E331 IonicContact NH1-OE2 2.69Å; R38-E331 PolarHBondContact NH1-OE2 2.94Å; R38-E331 IonicContact NH2-OE1 3.95Å; R38-E331 PolarHBondContact NH2-OE1 3.4Å
39	T	98.3	Very high	98	Very high	21 Å²	21	19 Å²	19	13%	0.129	13%	0.126	C	C	.	.	S	Bend	trans	-72.8	33	177.2	59.9	0	0	0	0	114.5	L41 Y44 R346	T39-L41 PolarHBondContact O-N 3.09Å; T39-Y44 HydrophobicContact CG2-CD1 3.53Å; T39-Y44 HydrophobicContact CG2-CE1 3.8Å; T39-Y44 HydrophobicContact CG2-CG 4.12Å; T39-Y44 WeakPolarHBondContact O-CB 3.37Å; T39-R346 HydrophobicContact CG2-CG 4.1Å
40	S	98	Very high	98	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.014	13%	0.133	C	C	.	.			trans	-81.2	67.7	175.2	-76.3	0	0	0	0	110.1	R38 D46 A49	R38-S40 WeakPolarHBondContact CD-OG 3.46Å; R38-S40 WeakPolarHBondContact CG-OG 3.3Å; R38-S40 PolarHBondContact O-N 3.47Å; S40-D46 VanDerWaalsContact CA-OD2 3.25Å; S40-D46 WeakPolarHBondContact CA-OD2 3.42Å; S40-D46 WeakPolarHBondContact CB-OD2 3.25Å; S40-D46 PolarHBondContact OG-OD2 3.08Å; S40-A49 VanDerWaalsContact O-CB 3.26Å; S40-A49 WeakPolarHBondContact O-CB 2.96Å
41	L	98.6	Very high	98	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-137.3	147	-176.8	-63	167.8	0	0	0	109	T39 C43 Y44 G45 D46 I54 V294 F321 P348	T39-L41 PolarHBondContact O-N 3.09Å; L41-C43 VanDerWaalsContact C-N 3.32Å; L41-C43 PolarHBondContact O-N 3.35Å; L41-Y44 HydrophobicContact CB-CD2 4.08Å; L41-Y44 HydrophobicContact CD1-CD2 4.05Å; L41-Y44 HydrophobicContact CD1-CE2 4.28Å; L41-Y44 PolarHBondContact O-N 2.93Å; L41-G45 PolarHBondContact O-N 2.89Å; L41-D46 PolarHBondContact O-N 3.04Å; L41-I54 HydrophobicContact CD1-CG2 4.01Å; L41-I54 HydrophobicContact CD2-CD1 3.8Å; L41-I54 HydrophobicContact CD2-CG2 4.29Å; L41-V294 HydrophobicContact CD2-CG1 3.91Å; L41-F321 HydrophobicContact CD1-CE1 4.17Å; L41-P348 HydrophobicContact CD1-CB 3.81Å; L41-P348 HydrophobicContact CD1-CG 4.18Å
42	G	97.8	Very high	97.9	Very high	28 Å²	28	20.7 Å²	20.7	29%	0.289	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-58.7	-42.4	-179.5	0	0	0	0	0	112.5	Y44 G45 S51 D55	G42-Y44 PolarHBondContact O-N 3.09Å; G42-Y44 VanDerWaalsContact O-N 3.09Å; G42-G45 PolarHBondContact O-N 2.52Å; G42-S51 PolarHBondContact N-OG 3.21Å; G42-D55 WeakPolarHBondContact CA-OD2 3.36Å; G42-D55 PolarHBondContact N-OD1 2.98Å
43	C	97.8	Very high	97.9	Very high	7 Å²	7	20.8 Å²	20.8	5%	0.047	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-64.4	-11.3	175.4	57.7	0	0	0	0	115	L41 D55 A58 N383	L41-C43 VanDerWaalsContact C-N 3.32Å; L41-C43 PolarHBondContact O-N 3.35Å; C43-D55 HydrophobicContact CB-CB 4.41Å; C43-D55 WeakPolarHBondContact CB-OD1 3.47Å; C43-D55 PolarHBondContact N-OD1 3.1Å; C43-D55 PolarHBondContact SG-OD1 3.24Å; C43-A58 HydrophobicContact CB-CB 3.46Å; C43-A58 VanDerWaalsContact CB-CB 3.46Å; C43-N383 VanDerWaalsContact CB-OD1 3.26Å; C43-N383 WeakPolarHBondContact CB-OD1 3.37Å; C43-N383 PolarHBondContact O-ND2 2.93Å
44	Y	98	Very high	97.9	Very high	25 Å²	25	20.7 Å²	20.7	10%	0.098	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-101.9	3.5	172.2	-79.4	-98.4	0	0	0	113.2	T39 L41 G42 V63 F64 L65 P348 L349 I350	T39-Y44 HydrophobicContact CG2-CD1 3.53Å; T39-Y44 HydrophobicContact CG2-CE1 3.8Å; T39-Y44 HydrophobicContact CG2-CG 4.12Å; T39-Y44 WeakPolarHBondContact O-CB 3.37Å; L41-Y44 HydrophobicContact CB-CD2 4.08Å; L41-Y44 HydrophobicContact CD1-CD2 4.05Å; L41-Y44 HydrophobicContact CD1-CE2 4.28Å; L41-Y44 PolarHBondContact O-N 2.93Å; G42-Y44 PolarHBondContact O-N 3.09Å; G42-Y44 VanDerWaalsContact O-N 3.09Å; Y44-V63 HydrophobicContact CE1-CG1 4.33Å; Y44-V63 HydrophobicContact CE2-CG1 3.87Å; Y44-F64 WeakPolarHBondContact CE1-O 3.25Å; Y44-F64 PolarHBondContact OH-O 3.48Å; Y44-L65 HydrophobicContact CD1-CD2 4.13Å; Y44-L65 HydrophobicContact CE1-CD2 4.25Å; Y44-P348 HydrophobicContact CD2-CB 4.49Å; Y44-P348 HydrophobicContact CE2-CB 3.78Å; Y44-P348 WeakPolarHBondContact OH-CA 3.22Å; Y44-L349 PolarHBondContact OH-N 3.15Å; Y44-L349 PolarHBondContact OH-O 2.9Å; Y44-L349 VanDerWaalsContact OH-O 3.11Å; Y44-I350 HydrophobicContact CE2-CD1 4.22Å; Y44-I350 HydrophobicContact CE2-CG1 4.21Å
45	G	96.4	Very high	98	Very high	59 Å²	59	21.2 Å²	21.2	61%	0.608	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.2	8.3	178	0	0	0	0	0	114.7	L41 G42 T47	L41-G45 PolarHBondContact O-N 2.89Å; G42-G45 PolarHBondContact O-N 2.52Å; G45-T47 PolarHBondContact O-N 2.87Å
46	D	97.1	Very high	97.9	Very high	32 Å²	32	21.5 Å²	21.5	17%	0.171	14%	0.137	C	C	.	.			trans	-76.1	107.5	172.6	-170.6	-32.1	0	0	0	109.3	S40 L41 L48 A49 Y291	S40-D46 VanDerWaalsContact CA-OD2 3.25Å; S40-D46 WeakPolarHBondContact CA-OD2 3.42Å; S40-D46 WeakPolarHBondContact CB-OD2 3.25Å; S40-D46 PolarHBondContact OG-OD2 3.08Å; L41-D46 PolarHBondContact O-N 3.04Å; D46-L48 VanDerWaalsContact C-N 3.26Å; D46-L48 PolarHBondContact O-N 2.8Å; D46-L48 WeakPolarHBondContact OD1-CA 3.31Å; D46-L48 WeakPolarHBondContact OD1-CB 3.48Å; D46-L48 PolarHBondContact OD1-N 3.19Å; D46-A49 HydrophobicContact CB-CB 3.92Å; D46-A49 PolarHBondContact O-N 2.61Å; D46-A49 PolarHBondContact OD1-N 3Å; D46-A49 VanDerWaalsContact OD1-N 3.12Å; D46-Y291 VanDerWaalsContact OD2-CE1 3.28Å; D46-Y291 WeakPolarHBondContact OD2-CE1 3.09Å; D46-Y291 PolarHBondContact OD2-OH 2.94Å
47	T	95.3	Very high	97.9	Very high	140 Å²	140	21.5 Å²	21.5	86%	0.859	14%	0.137	S	C	*	.	S	Bend	trans	-76.4	-12.7	-177.2	59.1	0	0	0	0	113.6	G45	G45-T47 PolarHBondContact O-N 2.87Å
48	L	96.4	Very high	97.9	Very high	41 Å²	41	21.5 Å²	21.5	22%	0.215	14%	0.137	C	C	.	.	S	Bend	trans	-86	-35.2	175	-177	58.2	0	0	0	110.3	D46 K50 Y232 M237 P238 Y291	D46-L48 VanDerWaalsContact C-N 3.26Å; D46-L48 PolarHBondContact O-N 2.8Å; D46-L48 WeakPolarHBondContact OD1-CA 3.31Å; D46-L48 WeakPolarHBondContact OD1-CB 3.48Å; D46-L48 PolarHBondContact OD1-N 3.19Å; L48-K50 PolarHBondContact O-N 3.42Å; L48-Y232 HydrophobicContact CD1-CD1 4.04Å; L48-Y232 HydrophobicContact CD1-CE1 4.19Å; L48-Y232 HydrophobicContact CG-CD1 4.39Å; L48-Y232 HydrophobicContact CG-CE1 4.24Å; L48-Y232 VanDerWaalsContact O-CE1 3.28Å; L48-Y232 WeakPolarHBondContact O-CE1 3.4Å; L48-M237 HydrophobicContact CD1-SD 4.32Å; L48-M237 HydrophobicContact CD2-CE 3.73Å; L48-M237 HydrophobicContact CD2-SD 4.2Å; L48-P238 HydrophobicContact CD2-CG 4.33Å; L48-Y291 HydrophobicContact CB-CE1 4.07Å; L48-Y291 HydrophobicContact CD2-CD1 4.45Å; L48-Y291 HydrophobicContact CD2-CD2 3.81Å; L48-Y291 HydrophobicContact CD2-CE1 4.15Å; L48-Y291 HydrophobicContact CD2-CE2 3.5Å; L48-Y291 HydrophobicContact CD2-CG 4.3Å; L48-Y291 HydrophobicContact CG-CD1 4.2Å; L48-Y291 HydrophobicContact CG-CD2 4.36Å; L48-Y291 HydrophobicContact CG-CE1 4.05Å; L48-Y291 HydrophobicContact CG-CE2 4.26Å; L48-Y291 HydrophobicContact CG-CG 4.35Å
49	A	97.1	Very high	97.8	Very high	9 Å²	9	20.8 Å²	20.8	7%	0.074	14%	0.137	C	C	.	.			trans	-58.9	134.7	-178.7	0	0	0	0	0	112.9	S40 D46 Y291	S40-A49 VanDerWaalsContact O-CB 3.26Å; S40-A49 WeakPolarHBondContact O-CB 2.96Å; D46-A49 HydrophobicContact CB-CB 3.92Å; D46-A49 PolarHBondContact O-N 2.61Å; D46-A49 PolarHBondContact OD1-N 3Å; D46-A49 VanDerWaalsContact OD1-N 3.12Å; A49-Y291 HydrophobicContact CB-CD1 4.42Å; A49-Y291 HydrophobicContact CB-CE1 4.23Å
50	K	98.4	Very high	97.8	Very high	34 Å²	34	23.7 Å²	23.7	15%	0.148	15%	0.148	C	C	.	.			trans	-113.8	90.8	172.8	-55.4	-54.2	-157.1	166.9	0	107.4	L48 P52 Y232 S295 V373 P377 E378	L48-K50 PolarHBondContact O-N 3.42Å; K50-P52 VanDerWaalsContact C-CD 3.48Å; K50-Y232 WeakPolarHBondContact CB-OH 3.24Å; K50-Y232 HydrophobicContact CG-CE1 4.19Å; K50-Y232 WeakPolarHBondContact CG-OH 3.38Å; K50-Y232 PolarHBondContact N-OH 3.2Å; K50-S295 WeakPolarHBondContact O-CB 3.4Å; K50-S295 PolarHBondContact O-OG 2.81Å; K50-V373 HydrophobicContact CB-CG2 3.76Å; K50-P377 HydrophobicContact CD-CB 4.34Å; K50-P377 WeakPolarHBondContact CD-O 3.48Å; K50-P377 HydrophobicContact CG-CB 4.42Å; K50-P377 PolarHBondContact NZ-O 2.79Å; K50-E378 IonicContact NZ-OE1 3.54Å; K50-E378 PolarHBondContact NZ-OE1 2.87Å; K50-E378 IonicContact NZ-OE2 3.53Å; K50-E378 PolarHBondContact NZ-OE2 2.83Å
51	S	98.4	Very high	97.8	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.007	15%	0.147	C	C	.	.			trans	-132.3	52.3	-173.9	56.5	0	0	0	0	113.1	G42 N53 I54 D55 D298	G42-S51 PolarHBondContact N-OG 3.21Å; S51-N53 VanDerWaalsContact C-N 3.27Å; S51-N53 PolarHBondContact O-N 2.82Å; S51-I54 PolarHBondContact O-N 3.29Å; S51-D55 WeakPolarHBondContact O-CB 3.5Å; S51-D55 PolarHBondContact O-N 3.4Å; S51-D55 PolarHBondContact OG-OD1 2.89Å; S51-D55 VanDerWaalsContact OG-OD1 3.08Å; S51-D55 PolarHBondContact OG-OD2 2.88Å; S51-D298 VanDerWaalsContact C-CG 3.42Å; S51-D298 VanDerWaalsContact CA-CG 3.42Å; S51-D298 WeakPolarHBondContact CA-OD1 3.26Å; S51-D298 VanDerWaalsContact O-OD1 3.09Å
52	P	98.4	Very high	97.7	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.006	15%	0.147	C	C	.	.	H	α-helix	trans	-62.8	-28.2	-168	27	-37.1	0	0	0	114.1	K50 Q56 D298 I371 V373 F381	K50-P52 VanDerWaalsContact C-CD 3.48Å; P52-Q56 VanDerWaalsContact O-CB 3.26Å; P52-Q56 WeakPolarHBondContact O-CB 3.32Å; P52-Q56 PolarHBondContact O-N 3.2Å; P52-D298 VanDerWaalsContact CD-OD2 3.26Å; P52-D298 WeakPolarHBondContact CD-OD2 3.33Å; P52-I371 HydrophobicContact CB-CB 4.2Å; P52-I371 HydrophobicContact CB-CD1 4.13Å; P52-I371 HydrophobicContact CB-CG2 3.8Å; P52-I371 HydrophobicContact CG-CB 4.26Å; P52-I371 HydrophobicContact CG-CG2 3.82Å; P52-V373 HydrophobicContact CG-CB 3.81Å; P52-V373 HydrophobicContact CG-CG2 3.89Å; P52-F381 WeakPolarHBondContact O-CE2 3.46Å
53	N	98.8	Very high	97.7	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-76.8	-40.3	-179.8	-62.8	-84.9	0	0	0	112	S51 D55 Q56 L57 D298 G302 I371	S51-N53 VanDerWaalsContact C-N 3.27Å; S51-N53 PolarHBondContact O-N 2.82Å; N53-D55 VanDerWaalsContact C-N 3.33Å; N53-Q56 WeakPolarHBondContact O-CB 3.35Å; N53-Q56 PolarHBondContact O-N 3.02Å; N53-L57 PolarHBondContact O-N 2.9Å; N53-D298 PolarHBondContact N-OD1 2.9Å; N53-D298 VanDerWaalsContact N-OD1 3.13Å; N53-D298 PolarHBondContact N-OD2 3.31Å; N53-D298 VanDerWaalsContact N-OD2 3.14Å; N53-D298 PolarHBondContact ND2-OD2 3.25Å; N53-G302 VanDerWaalsContact CG-CA 3.45Å; N53-G302 VanDerWaalsContact OD1-CA 3.32Å; N53-G302 WeakPolarHBondContact OD1-CA 3.26Å; N53-I371 PolarHBondContact ND2-O 3.25Å; N53-I371 PolarHBondContact OD1-N 3.23Å; N53-I371 PolarHBondContact OD1-O 2.76Å
54	I	98.8	Very high	97.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-68.5	-36.6	173.4	-65.2	162.8	0	0	0	110.1	L41 S51 Q56 L57 A58 M297 D298 V301 F321 I350	L41-I54 HydrophobicContact CD1-CG2 4.01Å; L41-I54 HydrophobicContact CD2-CD1 3.8Å; L41-I54 HydrophobicContact CD2-CG2 4.29Å; S51-I54 PolarHBondContact O-N 3.29Å; I54-Q56 VanDerWaalsContact C-N 3.35Å; I54-L57 WeakPolarHBondContact O-CB 3.45Å; I54-L57 PolarHBondContact O-N 2.99Å; I54-A58 WeakPolarHBondContact O-CB 3.46Å; I54-A58 PolarHBondContact O-N 2.97Å; I54-M297 HydrophobicContact CD1-CE 3.65Å; I54-M297 HydrophobicContact CD1-SD 4.03Å; I54-D298 WeakPolarHBondContact CB-OD1 3.43Å; I54-D298 HydrophobicContact CD1-CB 4.1Å; I54-D298 VanDerWaalsContact CG1-OD1 3.28Å; I54-D298 WeakPolarHBondContact CG1-OD1 3.39Å; I54-D298 PolarHBondContact N-OD1 2.92Å; I54-V301 HydrophobicContact CD1-CG2 4.35Å; I54-V301 HydrophobicContact CG1-CB 4.21Å; I54-V301 HydrophobicContact CG1-CG1 4.01Å; I54-V301 HydrophobicContact CG1-CG2 4.27Å; I54-F321 HydrophobicContact CD1-CE1 4.25Å; I54-F321 HydrophobicContact CD1-CE2 3.97Å; I54-F321 HydrophobicContact CD1-CZ 3.58Å; I54-F321 HydrophobicContact CG1-CE2 4.18Å; I54-F321 HydrophobicContact CG1-CZ 4.1Å; I54-F321 HydrophobicContact CG2-CD1 4.32Å; I54-F321 HydrophobicContact CG2-CE1 4.08Å; I54-F321 HydrophobicContact CG2-CZ 4.43Å; I54-I350 HydrophobicContact CG2-CD1 3.69Å
55	D	98.6	Very high	97.6	Very high	10 Å²	10	22.3 Å²	22.3	5%	0.053	14%	0.135	C	C	.	.	H	α-helix	trans	-67.6	-37.2	175.7	-61.8	-14.8	0	0	0	111.3	G42 C43 S51 N53 A58 S59 F381	G42-D55 WeakPolarHBondContact CA-OD2 3.36Å; G42-D55 PolarHBondContact N-OD1 2.98Å; C43-D55 HydrophobicContact CB-CB 4.41Å; C43-D55 WeakPolarHBondContact CB-OD1 3.47Å; C43-D55 PolarHBondContact N-OD1 3.1Å; C43-D55 PolarHBondContact SG-OD1 3.24Å; S51-D55 WeakPolarHBondContact O-CB 3.5Å; S51-D55 PolarHBondContact O-N 3.4Å; S51-D55 PolarHBondContact OG-OD1 2.89Å; S51-D55 VanDerWaalsContact OG-OD1 3.08Å; S51-D55 PolarHBondContact OG-OD2 2.88Å; N53-D55 VanDerWaalsContact C-N 3.33Å; D55-A58 WeakPolarHBondContact O-CB 3.48Å; D55-A58 PolarHBondContact O-N 2.74Å; D55-S59 PolarHBondContact O-N 3.33Å; D55-F381 HydrophobicContact CB-CB 4.4Å; D55-F381 HydrophobicContact CB-CD2 3.84Å
56	Q	98	Very high	97.6	Very high	8 Å²	8	19.9 Å²	19.9	4%	0.037	11%	0.108	C	C	.	.	H	α-helix	trans	-62.2	-43.9	170.7	-172.8	-173.2	74.2	0	0	111.4	P52 N53 I54 A58 S59 F368 P369 I371 F381	P52-Q56 VanDerWaalsContact O-CB 3.26Å; P52-Q56 WeakPolarHBondContact O-CB 3.32Å; P52-Q56 PolarHBondContact O-N 3.2Å; N53-Q56 WeakPolarHBondContact O-CB 3.35Å; N53-Q56 PolarHBondContact O-N 3.02Å; I54-Q56 VanDerWaalsContact C-N 3.35Å; Q56-A58 VanDerWaalsContact C-N 3.35Å; Q56-A58 PolarHBondContact O-N 3.31Å; Q56-S59 WeakPolarHBondContact O-CB 3.38Å; Q56-S59 PolarHBondContact O-N 3.46Å; Q56-S59 PolarHBondContact O-OG 2.89Å; Q56-F368 HydrophobicContact CG-CD1 4.32Å; Q56-F368 VanDerWaalsContact OE1-C 3.31Å; Q56-P369 PolarHBondContact NE2-O 2.84Å; Q56-P369 PolarHBondContact OE1-O 2.98Å; Q56-I371 HydrophobicContact CB-CD1 4.48Å; Q56-F381 HydrophobicContact CB-CD1 4.49Å; Q56-F381 HydrophobicContact CB-CD2 4.14Å; Q56-F381 HydrophobicContact CB-CE1 4Å; Q56-F381 HydrophobicContact CB-CE2 3.59Å; Q56-F381 HydrophobicContact CB-CZ 3.51Å; Q56-F381 HydrophobicContact CG-CE1 3.84Å; Q56-F381 HydrophobicContact CG-CE2 4.25Å; Q56-F381 HydrophobicContact CG-CZ 3.63Å
57	L	98.6	Very high	97.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-57.4	-48.8	172.6	176.4	63.7	0	0	0	110.8	N53 I54 S59 K60 S61 L305 V319 F321 I350 F352 F368	N53-L57 PolarHBondContact O-N 2.9Å; I54-L57 WeakPolarHBondContact O-CB 3.45Å; I54-L57 PolarHBondContact O-N 2.99Å; L57-S59 PolarHBondContact O-N 2.94Å; L57-K60 PolarHBondContact O-N 3.41Å; L57-S61 WeakPolarHBondContact O-CB 3.33Å; L57-S61 PolarHBondContact O-N 3.44Å; L57-S61 PolarHBondContact O-OG 2.88Å; L57-L305 HydrophobicContact CB-CD1 3.9Å; L57-L305 HydrophobicContact CD1-CD1 4.39Å; L57-L305 HydrophobicContact CD1-CD2 4.34Å; L57-L305 HydrophobicContact CD2-CD1 4.38Å; L57-L305 HydrophobicContact CG-CD1 4.45Å; L57-V319 HydrophobicContact CD1-CB 4.28Å; L57-V319 HydrophobicContact CD1-CG1 4.25Å; L57-V319 HydrophobicContact CD2-CG1 4.17Å; L57-F321 HydrophobicContact CD2-CB 3.85Å; L57-I350 HydrophobicContact CD2-CG2 4.34Å; L57-I350 HydrophobicContact CG-CG2 4.11Å; L57-F352 HydrophobicContact CD1-CB 3.87Å; L57-F368 HydrophobicContact CD1-CE1 3.99Å; L57-F368 HydrophobicContact CD1-CZ 3.91Å
58	A	98.4	Very high	97.9	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-57.4	-35.8	177.6	0	0	0	0	0	112.7	C43 I54 D55 Q56 K60 S61 V63 I350	C43-A58 HydrophobicContact CB-CB 3.46Å; C43-A58 VanDerWaalsContact CB-CB 3.46Å; I54-A58 WeakPolarHBondContact O-CB 3.46Å; I54-A58 PolarHBondContact O-N 2.97Å; D55-A58 WeakPolarHBondContact O-CB 3.48Å; D55-A58 PolarHBondContact O-N 2.74Å; Q56-A58 VanDerWaalsContact C-N 3.35Å; Q56-A58 PolarHBondContact O-N 3.31Å; A58-K60 PolarHBondContact O-N 2.83Å; A58-K60 VanDerWaalsContact O-N 3.12Å; A58-S61 PolarHBondContact O-N 3.15Å; A58-S61 VanDerWaalsContact O-N 3.13Å; A58-V63 HydrophobicContact CB-CG2 3.68Å; A58-I350 HydrophobicContact CB-CD1 4.24Å
59	S	97.5	Very high	98	Very high	17 Å²	17	9.7 Å²	9.7	12%	0.119	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-12.8	177.5	88	0	0	0	0	114.9	D55 Q56 L57 A384	D55-S59 PolarHBondContact O-N 3.33Å; Q56-S59 WeakPolarHBondContact O-CB 3.38Å; Q56-S59 PolarHBondContact O-N 3.46Å; Q56-S59 PolarHBondContact O-OG 2.89Å; L57-S59 PolarHBondContact O-N 2.94Å; S59-A384 WeakPolarHBondContact O-CB 3.28Å
60	K	97.3	Very high	98.1	Very high	82 Å²	82	9.4 Å²	9.4	36%	0.357	5%	0.046	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.7	5	177.3	-56.7	-62.8	-179.9	174.8	0	112.7	L57 A58 F352 T357 A358 T367 F368	L57-K60 PolarHBondContact O-N 3.41Å; A58-K60 PolarHBondContact O-N 2.83Å; A58-K60 VanDerWaalsContact O-N 3.12Å; K60-F352 HydrophobicContact CB-CD2 4.06Å; K60-F352 HydrophobicContact CB-CE2 4.14Å; K60-F352 WeakPolarHBondContact O-CD2 3.49Å; K60-T357 CarbonylContact O-C 3.57Å; K60-T357 VanDerWaalsContact O-CB 3.3Å; K60-T357 WeakPolarHBondContact O-CB 3.42Å; K60-T357 PolarHBondContact O-OG1 3.04Å; K60-A358 HydrophobicContact CB-CB 4.03Å; K60-A358 HydrophobicContact CD-CB 4.16Å; K60-T367 HydrophobicContact CG-CG2 4.24Å; K60-F368 HydrophobicContact CB-CE1 4Å; K60-F368 HydrophobicContact CB-CZ 4.22Å; K60-F368 HydrophobicContact CG-CE1 3.95Å
61	S	97.8	Very high	98.1	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.039	C	C	.	.	S	Bend	trans	-121.9	172.5	-167.6	-62.7	0	0	0	0	112.1	L57 A58 M351 F352 R385	L57-S61 WeakPolarHBondContact O-CB 3.33Å; L57-S61 PolarHBondContact O-N 3.44Å; L57-S61 PolarHBondContact O-OG 2.88Å; A58-S61 PolarHBondContact O-N 3.15Å; A58-S61 VanDerWaalsContact O-N 3.13Å; S61-M351 WeakPolarHBondContact CB-O 3.29Å; S61-F352 WeakPolarHBondContact OG-CA 3.37Å; S61-F352 WeakPolarHBondContact OG-CB 3.48Å; S61-F352 PolarHBondContact OG-N 3.4Å; S61-R385 PolarHBondContact O-N 3.45Å
62	Q	97.2	Very high	98.1	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	122.9	160.5	-171.6	167	-52.6	0	0	110.1	F64 I350 M351 T357 R385 I387 T431 F432	Q62-F64 HydrophobicContact CG-CE2 4.13Å; Q62-F64 HydrophobicContact CG-CZ 4.27Å; Q62-I350 WeakPolarHBondContact O-CA 3.39Å; Q62-M351 PolarHBondContact N-O 2.81Å; Q62-M351 PolarHBondContact O-N 3.08Å; Q62-T357 HydrophobicContact CB-CG2 4.14Å; Q62-R385 HydrophobicContact CG-CG 4.17Å; Q62-R385 VanDerWaalsContact OE1-CD 3.3Å; Q62-I387 HydrophobicContact CG-CD1 4.4Å; Q62-I387 HydrophobicContact CG-CG1 3.57Å; Q62-I387 VanDerWaalsContact NE2-CG1 3.27Å; Q62-T431 PolarHBondContact NE2-OG1 3.5Å; Q62-T431 PolarHBondContact OE1-O 2.81Å; Q62-T431 VanDerWaalsContact OE1-O 3.13Å; Q62-F432 HydrophobicContact CB-CD1 4.28Å; Q62-F432 HydrophobicContact CB-CE1 3.78Å; Q62-F432 HydrophobicContact CB-CZ 4.33Å; Q62-F432 HydrophobicContact CG-CE1 4.41Å; Q62-F432 VanDerWaalsContact OE1-CD1 3.27Å
63	V	98.1	Very high	98.1	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	121.4	-179.9	-175.2	0	0	0	0	109.2	Y44 A58 L65 I350 N383 R385 V386 I387	Y44-V63 HydrophobicContact CE1-CG1 4.33Å; Y44-V63 HydrophobicContact CE2-CG1 3.87Å; A58-V63 HydrophobicContact CB-CG2 3.68Å; V63-L65 HydrophobicContact CG1-CD2 4.17Å; V63-I350 HydrophobicContact CG1-CG1 4.4Å; V63-I350 HydrophobicContact CG2-CG1 4.46Å; V63-I350 HydrophobicContact CG2-CG2 4.42Å; V63-N383 HydrophobicContact CG2-CB 4.32Å; V63-R385 PolarHBondContact N-O 2.71Å; V63-V386 WeakPolarHBondContact O-CA 3.31Å; V63-I387 PolarHBondContact O-N 2.87Å
64	F	97.3	Very high	98	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	109.9	176	-62.9	-96.8	0	0	0	109.9	Y44 Q62 N66 A67 L349 M351 I387 V391 L428 F432	Y44-F64 WeakPolarHBondContact CE1-O 3.25Å; Y44-F64 PolarHBondContact OH-O 3.48Å; Q62-F64 HydrophobicContact CG-CE2 4.13Å; Q62-F64 HydrophobicContact CG-CZ 4.27Å; F64-N66 VanDerWaalsContact C-N 3.27Å; F64-N66 PolarHBondContact O-N 3.45Å; F64-A67 HydrophobicContact CB-CB 4.44Å; F64-L349 HydrophobicContact CB-CB 4.17Å; F64-L349 HydrophobicContact CB-CD2 4.28Å; F64-L349 HydrophobicContact CB-CG 4.41Å; F64-L349 HydrophobicContact CD2-CB 4.35Å; F64-L349 HydrophobicContact CD2-CD2 3.86Å; F64-L349 HydrophobicContact CD2-CG 3.79Å; F64-L349 HydrophobicContact CE2-CD2 4.36Å; F64-L349 HydrophobicContact CE2-CG 4.43Å; F64-L349 HydrophobicContact CG-CD2 4.09Å; F64-L349 HydrophobicContact CG-CG 4.35Å; F64-L349 PolarHBondContact N-O 3.31Å; F64-M351 HydrophobicContact CE2-CG 4.26Å; F64-M351 HydrophobicContact CE2-SD 4.21Å; F64-I387 HydrophobicContact CD1-CB 3.77Å; F64-I387 HydrophobicContact CD1-CG1 4.31Å; F64-I387 HydrophobicContact CD1-CG2 3.72Å; F64-I387 HydrophobicContact CE1-CB 4.13Å; F64-I387 HydrophobicContact CE1-CG1 4.21Å; F64-I387 HydrophobicContact CE1-CG2 3.98Å; F64-I387 HydrophobicContact CG-CB 4.38Å; F64-V391 HydrophobicContact CB-CG2 4.02Å; F64-V391 HydrophobicContact CD1-CG1 3.94Å; F64-V391 HydrophobicContact CD1-CG2 3.9Å; F64-V391 HydrophobicContact CE1-CG1 4.21Å; F64-V391 HydrophobicContact CG-CG2 4.16Å; F64-L428 HydrophobicContact CE1-CD1 3.9Å; F64-L428 HydrophobicContact CZ-CB 4.42Å; F64-L428 HydrophobicContact CZ-CD1 4.02Å; F64-F432 HydrophobicContact CE2-CZ 4.33Å; F64-F432 HydrophobicContact CZ-CE2 4.16Å; F64-F432 HydrophobicContact CZ-CZ 4.26Å
65	L	95.9	Very high	98	Very high	33 Å²	33	8.5 Å²	8.5	17%	0.173	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-23.1	-176.4	-63.9	-175.7	0	0	0	113.3	Y44 V63 R346 V386 I387 Q388	Y44-L65 HydrophobicContact CD1-CD2 4.13Å; Y44-L65 HydrophobicContact CE1-CD2 4.25Å; V63-L65 HydrophobicContact CG1-CD2 4.17Å; L65-R346 PolarHBondContact O-NE 3.2Å; L65-R346 PolarHBondContact O-NH2 2.94Å; L65-V386 HydrophobicContact CD1-CG1 3.39Å; L65-V386 HydrophobicContact CD2-CG1 4.19Å; L65-V386 HydrophobicContact CG-CG1 3.56Å; L65-I387 PolarHBondContact N-O 2.73Å; L65-Q388 HydrophobicContact CD1-CG 4.24Å
66	N	96.6	Very high	98	Very high	8 Å²	8	8 Å²	8	4%	0.043	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.2	55.7	-171.9	-71.2	-53.8	0	0	0	111.4	F64 F68 Q388 T390 V391 W478	F64-N66 VanDerWaalsContact C-N 3.27Å; F64-N66 PolarHBondContact O-N 3.45Å; N66-F68 HydrophobicContact CB-CE2 3.89Å; N66-F68 WeakPolarHBondContact O-CD2 3.42Å; N66-F68 WeakPolarHBondContact O-CE2 3.48Å; N66-Q388 PolarHBondContact ND2-O 2.73Å; N66-T390 WeakPolarHBondContact O-CA 3.41Å; N66-V391 PolarHBondContact O-N 2.93Å; N66-W478 WeakPolarHBondContact ND2-CZ3 3.19Å
67	A	98.4	Very high	98.1	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	134.5	172.1	0	0	0	0	0	110.9	F64 R346 V347 L349 V391	F64-A67 HydrophobicContact CB-CB 4.44Å; A67-R346 WeakPolarHBondContact O-CA 3.47Å; A67-V347 HydrophobicContact CB-CG2 4.16Å; A67-V347 WeakPolarHBondContact O-CG2 3.43Å; A67-V347 PolarHBondContact O-N 3.48Å; A67-L349 HydrophobicContact CB-CB 3.61Å; A67-L349 HydrophobicContact CB-CD2 4Å; A67-L349 HydrophobicContact CB-CG 4.48Å; A67-V391 WeakPolarHBondContact CA-O 3.34Å; A67-V391 HydrophobicContact CB-CG2 3.64Å
68	F	98.8	Very high	98.1	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	139.9	-175.6	-62.1	-94.5	0	0	0	113.8	N66 Q70 D342 T345 R346 T390 V391 E392 L393 A445 R476	N66-F68 HydrophobicContact CB-CE2 3.89Å; N66-F68 WeakPolarHBondContact O-CD2 3.42Å; N66-F68 WeakPolarHBondContact O-CE2 3.48Å; F68-Q70 PolarHBondContact O-NE2 3.36Å; F68-D342 WeakPolarHBondContact CE1-OD1 3.41Å; F68-T345 CarbonylContact C-O 3.19Å; F68-T345 VanDerWaalsContact CA-O 3.25Å; F68-T345 WeakPolarHBondContact CA-O 3.36Å; F68-R346 HydrophobicContact CD1-CB 3.96Å; F68-R346 HydrophobicContact CE1-CB 3.61Å; F68-R346 HydrophobicContact CE1-CG 3.99Å; F68-R346 HydrophobicContact CZ-CB 4.26Å; F68-R346 HydrophobicContact CZ-CG 4.14Å; F68-T390 HydrophobicContact CD2-CG2 3.96Å; F68-T390 HydrophobicContact CE2-CG2 3.96Å; F68-V391 PolarHBondContact N-O 3.03Å; F68-E392 WeakPolarHBondContact O-CA 3.29Å; F68-L393 PolarHBondContact O-N 2.88Å; F68-A445 HydrophobicContact CB-CB 3.76Å; F68-A445 HydrophobicContact CD2-CB 3.67Å; F68-A445 HydrophobicContact CG-CB 3.96Å; F68-R476 HydrophobicContact CD1-CG 4.22Å; F68-R476 HydrophobicContact CD2-CG 4.34Å; F68-R476 HydrophobicContact CE1-CG 3.68Å; F68-R476 HydrophobicContact CE2-CG 3.8Å; F68-R476 HydrophobicContact CZ-CG 3.46Å; F68-R476 VanDerWaalsContact CZ-CG 3.46Å
69	A	98.8	Very high	98.1	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.04	C	C	.	.			trans	-79.3	142.6	172.8	0	0	0	0	0	111.9	Q71 D324 H325 T345 V347 L393 S447	A69-Q71 VanDerWaalsContact C-N 3.31Å; A69-Q71 PolarHBondContact O-N 2.9Å; A69-D324 VanDerWaalsContact CB-O 3.22Å; A69-D324 WeakPolarHBondContact CB-O 3.43Å; A69-H325 HydrophobicContact CB-CB 4.21Å; A69-T345 PolarHBondContact N-O 3.08Å; A69-V347 HydrophobicContact CB-CG1 4.4Å; A69-L393 HydrophobicContact CB-CD1 3.66Å; A69-L393 HydrophobicContact CB-CG 4.39Å; A69-S447 PolarHBondContact O-OG 2.97Å
70	Q	98.8	Very high	98.2	Very high	2 Å²	2	6.9 Å²	6.9	1%	0.009	3%	0.034	C	C	.	.	S	Bend	trans	-74	-22.4	-174.7	-75.6	55.8	70.2	0	0	113	F68 P87 V394 F446 S447 Q448	F68-Q70 PolarHBondContact O-NE2 3.36Å; Q70-P87 HydrophobicContact CB-CG 3.86Å; Q70-V394 HydrophobicContact CG-CG1 4.03Å; Q70-V394 HydrophobicContact CG-CG2 4.46Å; Q70-F446 WeakPolarHBondContact CA-O 3.31Å; Q70-S447 CarbonylContact O-C 3.56Å; Q70-S447 VanDerWaalsContact O-CA 3.29Å; Q70-S447 WeakPolarHBondContact O-CA 3.39Å; Q70-Q448 PolarHBondContact O-N 3.02Å
71	Q	98.9	Very high	98.2	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.017	C	C	.	.	S	Bend	trans	-155.9	129	172.2	176.1	172.2	-24.4	0	0	108.4	A69 V73 P76 S77 P87 Y93 Q448 Y449	A69-Q71 VanDerWaalsContact C-N 3.31Å; A69-Q71 PolarHBondContact O-N 2.9Å; Q71-V73 HydrophobicContact CG-CG1 3.97Å; Q71-V73 PolarHBondContact O-N 3.03Å; Q71-P76 HydrophobicContact CB-CB 4.14Å; Q71-P76 HydrophobicContact CG-CB 4.13Å; Q71-S77 WeakPolarHBondContact O-CB 3.46Å; Q71-P87 HydrophobicContact CB-CG 4.17Å; Q71-Y93 PolarHBondContact NE2-O 3.37Å; Q71-Q448 WeakPolarHBondContact CA-O 3.36Å; Q71-Q448 HydrophobicContact CB-CG 4.49Å; Q71-Q448 WeakPolarHBondContact CB-O 3.41Å; Q71-Q448 VanDerWaalsContact CG-O 3.26Å; Q71-Q448 WeakPolarHBondContact CG-O 3.37Å; Q71-Y449 HydrophobicContact CG-CD2 3.77Å; Q71-Y449 HydrophobicContact CG-CE2 3.92Å
72	A	98.6	Very high	98.3	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.018	C	C	.	.	S	Bend	trans	-78.9	59.9	-174.2	0	0	0	0	0	113.4	H325 K337 Y338 S339 V344 T345	A72-H325 HydrophobicContact CB-CB 4.25Å; A72-K337 WeakPolarHBondContact O-CB 3.41Å; A72-K337 WeakPolarHBondContact O-CG 3.37Å; A72-Y338 PolarHBondContact O-N 3.23Å; A72-S339 WeakPolarHBondContact CB-O 3.34Å; A72-V344 HydrophobicContact CB-CB 4.01Å; A72-V344 HydrophobicContact CB-CG2 3.93Å; A72-V344 WeakPolarHBondContact CB-O 3.34Å; A72-T345 HydrophobicContact CB-CG2 4.29Å
73	V	98.1	Very high	98.4	Very high	10 Å²	10	3.2 Å²	3.2	6%	0.061	2%	0.018	C	C	.	.	S	Bend	trans	-156.1	146.3	167.9	64.8	0	0	0	0	111.3	Q71 A75 P76 S77 H325 Y338 Y449 L462	Q71-V73 HydrophobicContact CG-CG1 3.97Å; Q71-V73 PolarHBondContact O-N 3.03Å; V73-A75 PolarHBondContact O-N 3.27Å; V73-P76 HydrophobicContact CG1-CB 4.19Å; V73-P76 HydrophobicContact CG1-CG 3.55Å; V73-P76 WeakPolarHBondContact O-CD 3.44Å; V73-S77 WeakPolarHBondContact O-CB 3.25Å; V73-S77 PolarHBondContact O-N 2.79Å; V73-S77 VanDerWaalsContact O-N 3.12Å; V73-H325 VanDerWaalsContact C-CD2 3.47Å; V73-H325 WeakPolarHBondContact CA-NE2 3.48Å; V73-H325 PolarHBondContact N-CD2 2.84Å; V73-Y338 HydrophobicContact CB-CD1 4.24Å; V73-Y338 HydrophobicContact CB-CE1 4.4Å; V73-Y338 HydrophobicContact CG2-CD1 4.14Å; V73-Y338 HydrophobicContact CG2-CE1 3.83Å; V73-Y449 HydrophobicContact CB-CE2 4.12Å; V73-Y449 HydrophobicContact CG1-CE2 3.94Å; V73-L462 HydrophobicContact CG2-CD1 3.98Å
74	C	98.1	Very high	98.4	Very high	6 Å²	6	3.2 Å²	3.2	4%	0.041	2%	0.018	C	C	.	.	H	α-helix	trans	-52.2	-60.2	-164.9	-48.3	0	0	0	0	115.4	D35 S77 R78 K125 D324 H325	D35-C74 PolarHBondContact OD1-SG 3.08Å; D35-C74 VanDerWaalsContact OD1-SG 3.41Å; C74-S77 PolarHBondContact O-N 2.95Å; C74-R78 VanDerWaalsContact O-CB 3.27Å; C74-R78 WeakPolarHBondContact O-CB 3.45Å; C74-R78 WeakPolarHBondContact O-CD 3.27Å; C74-R78 WeakPolarHBondContact O-CG 3.49Å; C74-R78 PolarHBondContact O-N 3.01Å; C74-K125 PolarHBondContact SG-NZ 2.88Å; C74-K125 VanDerWaalsContact SG-NZ 3.36Å; C74-D324 VanDerWaalsContact CA-OD2 3.3Å; C74-D324 WeakPolarHBondContact CA-OD2 3.45Å; C74-D324 WeakPolarHBondContact CB-OD2 3.3Å; C74-D324 PolarHBondContact SG-OD2 2.85Å; C74-H325 PolarHBondContact N-NE2 3.03Å
75	A	98.7	Very high	98.5	Very high	2 Å²	2	3.2 Å²	3.2	2%	0.017	2%	0.018	C	C	.	.	H	α-helix	trans	-65.4	-47.1	-170.7	0	0	0	0	0	113.7	V73 T79 L92 F95 H128 A132	V73-A75 PolarHBondContact O-N 3.27Å; A75-T79 VanDerWaalsContact O-CB 3.27Å; A75-T79 WeakPolarHBondContact O-CB 3.46Å; A75-T79 PolarHBondContact O-N 3.13Å; A75-T79 PolarHBondContact O-OG1 2.88Å; A75-L92 HydrophobicContact CB-CD2 4.31Å; A75-F95 HydrophobicContact CB-CB 3.73Å; A75-H128 HydrophobicContact CB-CB 3.61Å; A75-A132 HydrophobicContact CB-CB 3.96Å
76	P	98.8	Very high	98.6	Very high	1 Å²	1	3.3 Å²	3.3	1%	0.006	2%	0.016	C	C	.	.	H	α-helix	trans	-57.5	-48.9	172.1	-30.1	40.8	0	0	0	112.8	Q71 V73 S80 L92 D94	Q71-P76 HydrophobicContact CB-CB 4.14Å; Q71-P76 HydrophobicContact CG-CB 4.13Å; V73-P76 HydrophobicContact CG1-CB 4.19Å; V73-P76 HydrophobicContact CG1-CG 3.55Å; V73-P76 WeakPolarHBondContact O-CD 3.44Å; P76-S80 WeakPolarHBondContact O-CB 3.41Å; P76-S80 PolarHBondContact O-N 3.42Å; P76-L92 VanDerWaalsContact CB-O 3.24Å; P76-L92 WeakPolarHBondContact CB-O 3.45Å; P76-L92 HydrophobicContact CG-CG 4.45Å; P76-L92 WeakPolarHBondContact CG-O 3.38Å; P76-D94 WeakPolarHBondContact CD-O 3.22Å; P76-D94 WeakPolarHBondContact CG-O 3.41Å
77	S	98.9	Very high	98.7	Very high	0 Å²	0	3 Å²	3	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-64	-50.4	-177.2	-170	0	0	0	0	112.4	Q71 V73 C74 T79 S80 M81 D324	Q71-S77 WeakPolarHBondContact O-CB 3.46Å; V73-S77 WeakPolarHBondContact O-CB 3.25Å; V73-S77 PolarHBondContact O-N 2.79Å; V73-S77 VanDerWaalsContact O-N 3.12Å; C74-S77 PolarHBondContact O-N 2.95Å; S77-T79 PolarHBondContact O-N 3.5Å; S77-S80 WeakPolarHBondContact O-CB 3.42Å; S77-S80 PolarHBondContact O-N 3.3Å; S77-M81 WeakPolarHBondContact O-CB 3.27Å; S77-M81 PolarHBondContact O-N 3.42Å; S77-D324 VanDerWaalsContact CB-O 3.31Å; S77-D324 WeakPolarHBondContact CB-O 3.46Å; S77-D324 PolarHBondContact OG-O 3.43Å
78	R	98.9	Very high	98.6	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-62.4	-43.7	-178.8	-69	164	180	-86.6	-1.4	111.6	M33 D35 C74 S80 L82 K125 V126 D324	M33-R78 HydrophobicContact SD-CG 4.18Å; M33-R78 VanDerWaalsContact SD-CZ 3.53Å; M33-R78 PolarHBondContact SD-NH1 2.95Å; D35-R78 IonicContact OD1-CZ 3.71Å; D35-R78 IonicContact OD1-NE 3.35Å; D35-R78 IonicContact OD1-NH2 3.61Å; D35-R78 PolarHBondContact OD1-NH2 2.72Å; C74-R78 VanDerWaalsContact O-CB 3.27Å; C74-R78 WeakPolarHBondContact O-CB 3.45Å; C74-R78 WeakPolarHBondContact O-CD 3.27Å; C74-R78 WeakPolarHBondContact O-CG 3.49Å; C74-R78 PolarHBondContact O-N 3.01Å; R78-S80 VanDerWaalsContact C-N 3.35Å; R78-L82 VanDerWaalsContact O-CB 3.24Å; R78-L82 WeakPolarHBondContact O-CB 3.45Å; R78-L82 WeakPolarHBondContact O-CG 3.47Å; R78-L82 PolarHBondContact O-N 3.23Å; R78-K125 PolarHBondContact NH1-O 3.31Å; R78-V126 WeakPolarHBondContact CD-O 3.25Å; R78-V126 PolarHBondContact NH1-O 3.34Å; R78-D324 HydrophobicContact CG-CB 3.75Å; R78-D324 IonicContact CZ-OD2 3.68Å; R78-D324 IonicContact NE-OD2 3.24Å; R78-D324 PolarHBondContact NE-OD2 3.47Å; R78-D324 IonicContact NH2-OD1 3.12Å; R78-D324 IonicContact NH2-OD2 3.84Å; R78-D324 PolarHBondContact NH2-OD2 3.07Å
79	T	98.8	Very high	98.6	Very high	1 Å²	1	6.6 Å²	6.6	1%	0.006	3%	0.034	C	C	.	.	H	α-helix	trans	-64	-43.4	176.5	-55.8	0	0	0	0	110.8	A75 S77 T83 T90 L92 W99	A75-T79 VanDerWaalsContact O-CB 3.27Å; A75-T79 WeakPolarHBondContact O-CB 3.46Å; A75-T79 PolarHBondContact O-N 3.13Å; A75-T79 PolarHBondContact O-OG1 2.88Å; S77-T79 PolarHBondContact O-N 3.5Å; T79-T83 HydrophobicContact CG2-CG2 4.43Å; T79-T83 WeakPolarHBondContact O-CB 3.35Å; T79-T83 WeakPolarHBondContact O-CG2 3.35Å; T79-T83 PolarHBondContact O-N 2.97Å; T79-T83 PolarHBondContact O-OG1 3.13Å; T79-T90 HydrophobicContact CG2-CG2 4.08Å; T79-L92 HydrophobicContact CG2-CD2 4.21Å; T79-L92 WeakPolarHBondContact OG1-CD2 3.37Å; T79-W99 HydrophobicContact CG2-CB 4.19Å; T79-W99 HydrophobicContact CG2-CD2 3.83Å; T79-W99 HydrophobicContact CG2-CE3 3.5Å; T79-W99 HydrophobicContact CG2-CG 4.13Å; T79-W99 HydrophobicContact CG2-CZ3 4.14Å
80	S	98.9	Very high	98.5	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-59.3	-52.6	178.1	170.5	0	0	0	0	111.6	P76 S77 R78 S84 R85 V394	P76-S80 WeakPolarHBondContact O-CB 3.41Å; P76-S80 PolarHBondContact O-N 3.42Å; S77-S80 WeakPolarHBondContact O-CB 3.42Å; S77-S80 PolarHBondContact O-N 3.3Å; R78-S80 VanDerWaalsContact C-N 3.35Å; S80-S84 VanDerWaalsContact O-CA 3.25Å; S80-S84 WeakPolarHBondContact O-CA 3.43Å; S80-S84 PolarHBondContact O-N 2.98Å; S80-R85 WeakPolarHBondContact CA-O 3.47Å; S80-R85 VanDerWaalsContact CB-O 3.24Å; S80-R85 WeakPolarHBondContact CB-O 3.5Å; S80-R85 PolarHBondContact O-N 3.1Å; S80-R85 VanDerWaalsContact O-N 3.14Å; S80-R85 PolarHBondContact OG-O 2.67Å; S80-V394 VanDerWaalsContact OG-CG1 3.28Å; S80-V394 WeakPolarHBondContact OG-CG1 3.3Å
81	M	98.8	Very high	98.5	Very high	2 Å²	2	9.4 Å²	9.4	1%	0.01	5%	0.045	C	C	.	.	H	α-helix	trans	-61.5	-49.2	178.6	-177.6	-161.9	66.2	0	0	112.2	F31 M33 S77 T83 S84 T322 L393 I396	F31-M81 HydrophobicContact CE1-CE 4.08Å; F31-M81 HydrophobicContact CZ-CE 3.72Å; F31-M81 HydrophobicContact CZ-SD 3.89Å; M33-M81 HydrophobicContact CE-CE 3.14Å; M33-M81 HydrophobicContact CE-SD 3.32Å; M33-M81 WeakPolarHBondContact CE-SD 3.45Å; M33-M81 HydrophobicContact SD-CE 4.43Å; S77-M81 WeakPolarHBondContact O-CB 3.27Å; S77-M81 PolarHBondContact O-N 3.42Å; M81-T83 VanDerWaalsContact C-N 3.3Å; M81-T83 PolarHBondContact O-N 2.94Å; M81-S84 PolarHBondContact O-N 3.12Å; M81-T322 HydrophobicContact SD-CG2 4.27Å; M81-L393 HydrophobicContact CB-CB 4.09Å; M81-L393 HydrophobicContact CG-CB 3.99Å; M81-L393 WeakPolarHBondContact CG-O 3.42Å; M81-L393 HydrophobicContact SD-CD2 4.42Å; M81-I396 HydrophobicContact CG-CB 4.37Å; M81-I396 HydrophobicContact CG-CD1 4.03Å; M81-I396 HydrophobicContact SD-CD1 3.79Å
82	L	98.9	Very high	98.5	Very high	2 Å²	2	9.4 Å²	9.4	1%	0.01	5%	0.045	C	C	.	.	H	α-helix	trans	-70.9	-23.9	-175.1	-68.7	171.2	0	0	0	113.1	R78 T108 L109 V126 F127	R78-L82 VanDerWaalsContact O-CB 3.24Å; R78-L82 WeakPolarHBondContact O-CB 3.45Å; R78-L82 WeakPolarHBondContact O-CG 3.47Å; R78-L82 PolarHBondContact O-N 3.23Å; L82-T108 CarbonylContact O-C 3.58Å; L82-T108 WeakPolarHBondContact O-CA 3.32Å; L82-L109 PolarHBondContact O-N 3.03Å; L82-V126 HydrophobicContact CD1-CG1 4.23Å; L82-F127 HydrophobicContact CB-CE1 4.12Å; L82-F127 HydrophobicContact CB-CZ 4.32Å; L82-F127 HydrophobicContact CD1-CD1 3.57Å; L82-F127 HydrophobicContact CD1-CD2 4.3Å; L82-F127 HydrophobicContact CD1-CE1 3.34Å; L82-F127 HydrophobicContact CD1-CE2 4.12Å; L82-F127 HydrophobicContact CD1-CG 4.05Å; L82-F127 HydrophobicContact CD1-CZ 3.63Å; L82-F127 HydrophobicContact CG-CE1 4.36Å
83	T	98.9	Very high	98.5	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-100.4	-9.3	175.6	61.4	0	0	0	0	113.2	T79 M81 R85 T108	T79-T83 HydrophobicContact CG2-CG2 4.43Å; T79-T83 WeakPolarHBondContact O-CB 3.35Å; T79-T83 WeakPolarHBondContact O-CG2 3.35Å; T79-T83 PolarHBondContact O-N 2.97Å; T79-T83 PolarHBondContact O-OG1 3.13Å; M81-T83 VanDerWaalsContact C-N 3.3Å; M81-T83 PolarHBondContact O-N 2.94Å; T83-R85 PolarHBondContact O-N 3Å; T83-R85 WeakPolarHBondContact OG1-CB 3.13Å; T83-R85 PolarHBondContact OG1-N 3.09Å; T83-T108 HydrophobicContact CG2-CG2 4.03Å
84	S	98.6	Very high	98.5	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	35.1	-167.6	-161.9	0	0	0	0	113.2	S80 M81 V394 T423 A424 G425	S80-S84 VanDerWaalsContact O-CA 3.25Å; S80-S84 WeakPolarHBondContact O-CA 3.43Å; S80-S84 PolarHBondContact O-N 2.98Å; M81-S84 PolarHBondContact O-N 3.12Å; S84-V394 PolarHBondContact OG-O 2.75Å; S84-T423 PolarHBondContact OG-OG1 3.24Å; S84-A424 VanDerWaalsContact O-CB 3.24Å; S84-A424 WeakPolarHBondContact O-CB 3.38Å; S84-A424 PolarHBondContact O-N 2.91Å; S84-G425 PolarHBondContact OG-N 3.21Å
85	R	98.5	Very high	98.4	Very high	1 Å²	1	12.8 Å²	12.8	0%	0.004	6%	0.059	C	C	.	.			trans	-117	137.9	176.4	-57.1	-54.8	176.2	82.2	11.4	109	S80 T83 T89 T90 Y106 C412 S416 V419 E420 C422	S80-R85 WeakPolarHBondContact CA-O 3.47Å; S80-R85 VanDerWaalsContact CB-O 3.24Å; S80-R85 WeakPolarHBondContact CB-O 3.5Å; S80-R85 PolarHBondContact O-N 3.1Å; S80-R85 VanDerWaalsContact O-N 3.14Å; S80-R85 PolarHBondContact OG-O 2.67Å; T83-R85 PolarHBondContact O-N 3Å; T83-R85 WeakPolarHBondContact OG1-CB 3.13Å; T83-R85 PolarHBondContact OG1-N 3.09Å; R85-T89 HydrophobicContact CB-CG2 3.99Å; R85-T89 HydrophobicContact CG-CG2 4.24Å; R85-T90 HydrophobicContact CB-CG2 3.76Å; R85-Y106 HydrophobicContact CB-CD2 4.46Å; R85-Y106 HydrophobicContact CG-CD2 3.93Å; R85-Y106 HydrophobicContact CG-CE2 4.41Å; R85-Y106 HydrophobicContact CG-CG 4.04Å; R85-C412 PolarHBondContact NE-SG 3.25Å; R85-C412 VanDerWaalsContact NE-SG 3.42Å; R85-S416 PolarHBondContact NH1-O 3.32Å; R85-V419 PolarHBondContact NH1-O 2.84Å; R85-V419 VanDerWaalsContact NH1-O 3.14Å; R85-V419 PolarHBondContact NH2-O 3.4Å; R85-E420 PolarHBondContact NH2-O 3.24Å; R85-C422 PolarHBondContact NE-O 3.16Å; R85-C422 PolarHBondContact NH2-SG 3.02Å; R85-C422 VanDerWaalsContact NH2-SG 3.43Å
86	R	98.4	Very high	98.4	Very high	35 Å²	35	16.1 Å²	16.1	13%	0.132	8%	0.076	C	C	.	.			trans	-69.7	158.2	178.8	-64.2	179.5	180	-77.8	-6.6	110.9	D88 T89 T90 E392 A424	R86-D88 PolarHBondContact O-N 3.07Å; R86-D88 VanDerWaalsContact O-N 3.11Å; R86-T89 WeakPolarHBondContact O-CA 3.45Å; R86-T89 WeakPolarHBondContact O-CB 3.33Å; R86-T89 PolarHBondContact O-N 3.23Å; R86-T90 PolarHBondContact O-N 3.39Å; R86-E392 IonicContact CZ-OE1 2.95Å; R86-E392 IonicContact CZ-OE2 2.66Å; R86-E392 IonicContact NH1-OE1 3.95Å; R86-E392 PolarHBondContact NH1-OE1 3.09Å; R86-E392 IonicContact NH1-OE2 3.5Å; R86-E392 IonicContact NH2-OE1 2.85Å; R86-E392 PolarHBondContact NH2-OE1 2.87Å; R86-E392 IonicContact NH2-OE2 3Å; R86-E392 PolarHBondContact NH2-OE2 3.12Å; R86-A424 HydrophobicContact CG-CB 4.21Å
87	P	98.4	Very high	98.3	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.006	8%	0.081	C	C	.	.	H	α-helix	trans	-51.4	-35.1	177.8	-29.5	36	0	0	0	114.3	Q70 Q71 T89 T90 R91 Y93 Q448	Q70-P87 HydrophobicContact CB-CG 3.86Å; Q71-P87 HydrophobicContact CB-CG 4.17Å; P87-T89 VanDerWaalsContact C-N 3.27Å; P87-T89 PolarHBondContact O-N 3.17Å; P87-T90 WeakPolarHBondContact CA-OG1 3.06Å; P87-T90 PolarHBondContact O-N 2.73Å; P87-T90 PolarHBondContact O-OG1 3.32Å; P87-R91 VanDerWaalsContact O-CA 3.28Å; P87-R91 WeakPolarHBondContact O-CA 3.13Å; P87-R91 PolarHBondContact O-N 2.81Å; P87-Y93 HydrophobicContact CB-CD1 4.04Å; P87-Y93 HydrophobicContact CB-CE1 3.93Å; P87-Q448 HydrophobicContact CB-CG 4.31Å; P87-Q448 HydrophobicContact CG-CG 4.31Å
88	D	97.3	Very high	98.3	Very high	52 Å²	52	17.6 Å²	17.6	28%	0.278	8%	0.084	S	C	.	.	H	α-helix	trans	-69.4	-21.3	176.1	-72.8	-4.5	0	0	0	114.4	R86 Y93 Q448 Y473	R86-D88 PolarHBondContact O-N 3.07Å; R86-D88 VanDerWaalsContact O-N 3.11Å; D88-Y93 WeakPolarHBondContact CA-OH 3.5Å; D88-Y93 WeakPolarHBondContact OD1-CE1 3.41Å; D88-Y93 PolarHBondContact OD1-OH 3.03Å; D88-Q448 PolarHBondContact OD1-NE2 3.44Å; D88-Y473 PolarHBondContact OD1-OH 3.05Å; D88-Y473 VanDerWaalsContact OD2-CE1 3.3Å; D88-Y473 WeakPolarHBondContact OD2-CE1 3.44Å; D88-Y473 PolarHBondContact OD2-OH 3.23Å
89	T	97.9	Very high	98.3	Very high	23 Å²	23	17.6 Å²	17.6	14%	0.141	8%	0.084	C	C	.	.	H	α-helix	trans	-89.1	-39.6	172.9	-53.6	0	0	0	0	111.6	R85 R86 P87 R91 A103 Y106 S416	R85-T89 HydrophobicContact CB-CG2 3.99Å; R85-T89 HydrophobicContact CG-CG2 4.24Å; R86-T89 WeakPolarHBondContact O-CA 3.45Å; R86-T89 WeakPolarHBondContact O-CB 3.33Å; R86-T89 PolarHBondContact O-N 3.23Å; P87-T89 VanDerWaalsContact C-N 3.27Å; P87-T89 PolarHBondContact O-N 3.17Å; T89-R91 VanDerWaalsContact C-N 3.25Å; T89-A103 WeakPolarHBondContact O-CB 3.44Å; T89-Y106 HydrophobicContact CG2-CE2 4.14Å; T89-Y106 WeakPolarHBondContact O-CE2 3.48Å; T89-Y106 PolarHBondContact O-OH 3.02Å; T89-S416 WeakPolarHBondContact CG2-OG 3.31Å
90	T	98.4	Very high	98.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-71.6	-24.8	175	65.9	0	0	0	0	112.2	T79 R85 R86 P87 L92 A103	T79-T90 HydrophobicContact CG2-CG2 4.08Å; R85-T90 HydrophobicContact CB-CG2 3.76Å; R86-T90 PolarHBondContact O-N 3.39Å; P87-T90 WeakPolarHBondContact CA-OG1 3.06Å; P87-T90 PolarHBondContact O-N 2.73Å; P87-T90 PolarHBondContact O-OG1 3.32Å; T90-L92 PolarHBondContact O-N 2.88Å; T90-L92 VanDerWaalsContact O-N 3.12Å; T90-L92 PolarHBondContact OG1-N 2.87Å; T90-A103 WeakPolarHBondContact O-CB 3.42Å
91	R	98.1	Very high	98.2	Very high	61 Å²	61	24.9 Å²	24.9	23%	0.23	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	22.3	-172.1	-67.6	-179.2	172.7	-176	-2	113.2	P87 T89 H102 A103 F417 F493	P87-R91 VanDerWaalsContact O-CA 3.28Å; P87-R91 WeakPolarHBondContact O-CA 3.13Å; P87-R91 PolarHBondContact O-N 2.81Å; T89-R91 VanDerWaalsContact C-N 3.25Å; R91-H102 PolarHBondContact O-NE2 3.29Å; R91-A103 HydrophobicContact CB-CB 4.39Å; R91-F417 HydrophobicContact CG-CE1 4.42Å; R91-F493 HydrophobicContact CB-CD1 3.95Å; R91-F493 HydrophobicContact CB-CE1 3.63Å; R91-F493 HydrophobicContact CB-CZ 4.24Å; R91-F493 HydrophobicContact CG-CD1 3.66Å; R91-F493 HydrophobicContact CG-CE1 3.84Å; R91-F493 HydrophobicContact CG-CG 4.15Å; R91-F493 HydrophobicContact CG-CZ 4.44Å
92	L	98.5	Very high	98.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.138	C	C	.	.			trans	-104	102.2	178	-179.2	65.5	0	0	0	108.4	A75 P76 T79 T90 D94 S97 A132	A75-L92 HydrophobicContact CB-CD2 4.31Å; P76-L92 VanDerWaalsContact CB-O 3.24Å; P76-L92 WeakPolarHBondContact CB-O 3.45Å; P76-L92 HydrophobicContact CG-CG 4.45Å; P76-L92 WeakPolarHBondContact CG-O 3.38Å; T79-L92 HydrophobicContact CG2-CD2 4.21Å; T79-L92 WeakPolarHBondContact OG1-CD2 3.37Å; T90-L92 PolarHBondContact O-N 2.88Å; T90-L92 VanDerWaalsContact O-N 3.12Å; T90-L92 PolarHBondContact OG1-N 2.87Å; L92-D94 VanDerWaalsContact CD1-O 3.23Å; L92-D94 WeakPolarHBondContact CD1-O 3.47Å; L92-D94 WeakPolarHBondContact CG-O 3.19Å; L92-S97 WeakPolarHBondContact CD1-O 3.3Å; L92-S97 WeakPolarHBondContact CD1-OG 3.24Å; L92-A132 HydrophobicContact CD2-CB 4.35Å
93	Y	98.5	Very high	98.1	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.008	15%	0.145	C	C	.	.	S	Bend	trans	-110.2	-12.7	176.6	-46.1	-70.1	0	0	0	112.9	Q71 P87 D88 L465 I468 M471 F488 F493	Q71-Y93 PolarHBondContact NE2-O 3.37Å; P87-Y93 HydrophobicContact CB-CD1 4.04Å; P87-Y93 HydrophobicContact CB-CE1 3.93Å; D88-Y93 WeakPolarHBondContact CA-OH 3.5Å; D88-Y93 WeakPolarHBondContact OD1-CE1 3.41Å; D88-Y93 PolarHBondContact OD1-OH 3.03Å; Y93-L465 HydrophobicContact CD2-CD1 3.85Å; Y93-L465 HydrophobicContact CE2-CD1 4.24Å; Y93-I468 HydrophobicContact CD2-CD1 4.18Å; Y93-I468 HydrophobicContact CG-CD1 4.34Å; Y93-M471 HydrophobicContact CD1-CE 3.82Å; Y93-M471 HydrophobicContact CD2-CE 4.42Å; Y93-M471 HydrophobicContact CE1-CE 3.92Å; Y93-M471 HydrophobicContact CG-CE 4.07Å; Y93-F488 HydrophobicContact CE2-CE1 4.3Å; Y93-F488 AromaticContact CE2-CZ 3.79Å; Y93-F488 HydrophobicContact CE2-CZ 3.79Å; Y93-F493 AromaticContact CE2-CD1 3.94Å; Y93-F493 HydrophobicContact CE2-CD1 3.94Å; Y93-F493 HydrophobicContact CE2-CE1 4.14Å
94	D	97.6	Very high	98	Very high	6 Å²	6	29 Å²	29	3%	0.032	15%	0.15	C	C	.	.	S	Bend	trans	-118.4	-148.3	172.2	63.3	17.3	0	0	0	109.3	P76 L92 N96 L465	P76-D94 WeakPolarHBondContact CD-O 3.22Å; P76-D94 WeakPolarHBondContact CG-O 3.41Å; L92-D94 VanDerWaalsContact CD1-O 3.23Å; L92-D94 WeakPolarHBondContact CD1-O 3.47Å; L92-D94 WeakPolarHBondContact CG-O 3.19Å; D94-N96 PolarHBondContact OD1-N 3.15Å; D94-N96 PolarHBondContact OD2-ND2 3.22Å; D94-L465 PolarHBondContact OD2-N 3.47Å
95	F	97.1	Very high	98	Very high	80 Å²	80	31.7 Å²	31.7	35%	0.351	17%	0.165	S	C	.	.	S	Bend	trans	-120.6	15.2	173.7	53.8	-122.6	0	0	0	113.8	A75 I131 L462	A75-F95 HydrophobicContact CB-CB 3.73Å; F95-I131 WeakPolarHBondContact O-CG2 3.48Å; F95-L462 HydrophobicContact CD1-CD2 3.71Å; F95-L462 HydrophobicContact CE1-CD2 3.22Å; F95-L462 HydrophobicContact CE1-CG 4.39Å; F95-L462 HydrophobicContact CZ-CD2 4.13Å
96	N	97.9	Very high	98	Very high	71 Å²	71	31.7 Å²	31.7	38%	0.38	16%	0.164	S	C	.	.	S	Bend	trans	-100	5.5	-163.3	-64.7	-50.8	0	0	0	114.6	D94 I131 D464	D94-N96 PolarHBondContact OD1-N 3.15Å; D94-N96 PolarHBondContact OD2-ND2 3.22Å; N96-I131 VanDerWaalsContact C-CG2 3.43Å; N96-D464 PolarHBondContact ND2-OD1 3.39Å; N96-D464 VanDerWaalsContact ND2-OD1 3.08Å
97	S	97.8	Very high	98	Very high	16 Å²	16	30.7 Å²	30.7	11%	0.112	16%	0.163	C	C	.	.			trans	-139.8	146.1	-178.7	69.4	0	0	0	0	113	L92 A132	L92-S97 WeakPolarHBondContact CD1-O 3.3Å; L92-S97 WeakPolarHBondContact CD1-OG 3.24Å; S97-A132 WeakPolarHBondContact O-CA 3.49Å
98	Y	98.7	Very high	98.1	Very high	16 Å²	16	30.7 Å²	30.7	6%	0.063	16%	0.162	C	C	.	.			trans	-94.4	120.5	175	-178.9	-146.2	0	0	0	110	R100 V101 H102 I131 N134 D138	Y98-R100 VanDerWaalsContact C-N 3.26Å; Y98-R100 HydrophobicContact CD1-CB 4.15Å; Y98-R100 HydrophobicContact CE1-CB 3.72Å; Y98-R100 HydrophobicContact CE1-CG 4.06Å; Y98-R100 HydrophobicContact CE2-CB 4.3Å; Y98-R100 HydrophobicContact CE2-CG 3.94Å; Y98-R100 PolarHBondContact O-N 2.83Å; Y98-R100 VanDerWaalsContact O-N 3.15Å; Y98-R100 WeakPolarHBondContact OH-CD 3.49Å; Y98-R100 PolarHBondContact OH-NE 3.24Å; Y98-V101 HydrophobicContact CD1-CG2 3.85Å; Y98-V101 PolarHBondContact O-N 3.42Å; Y98-H102 WeakPolarHBondContact O-CB 3.49Å; Y98-H102 PolarHBondContact O-N 3.21Å; Y98-I131 WeakPolarHBondContact CB-O 3.45Å; Y98-N134 HydrophobicContact CD1-CB 3.69Å; Y98-N134 HydrophobicContact CD2-CB 4.14Å; Y98-N134 HydrophobicContact CE1-CB 3.58Å; Y98-N134 HydrophobicContact CE2-CB 4.06Å; Y98-N134 HydrophobicContact CG-CB 3.96Å; Y98-D138 PolarHBondContact OH-OD1 2.75Å
99	W	98.5	Very high	98.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-56.7	-36.3	-171.2	69.7	89.8	0	0	0	113.7	T79 V101 H102 A103 G104 Y106 T108 F127 A132 D138	T79-W99 HydrophobicContact CG2-CB 4.19Å; T79-W99 HydrophobicContact CG2-CD2 3.83Å; T79-W99 HydrophobicContact CG2-CE3 3.5Å; T79-W99 HydrophobicContact CG2-CG 4.13Å; T79-W99 HydrophobicContact CG2-CZ3 4.14Å; W99-V101 PolarHBondContact O-N 3.38Å; W99-H102 PolarHBondContact O-N 3.36Å; W99-A103 PolarHBondContact O-N 2.97Å; W99-G104 PolarHBondContact O-N 3.13Å; W99-Y106 AromaticContact CD1-CD2 3.81Å; W99-Y106 HydrophobicContact CG-CD2 4.48Å; W99-Y106 PolarHBondContact NE1-O 2.85Å; W99-T108 HydrophobicContact CH2-CG2 4.34Å; W99-T108 HydrophobicContact CZ2-CG2 3.64Å; W99-F127 HydrophobicContact CH2-CD1 4.04Å; W99-F127 AromaticContact CH2-CE1 3.44Å; W99-F127 HydrophobicContact CH2-CE1 3.44Å; W99-F127 VanDerWaalsContact CH2-CE1 3.44Å; W99-F127 AromaticContact CH2-CZ 3.98Å; W99-F127 HydrophobicContact CH2-CZ 3.98Å; W99-F127 HydrophobicContact CZ2-CE1 4.31Å; W99-F127 HydrophobicContact CZ3-CD1 4.23Å; W99-F127 AromaticContact CZ3-CE1 3.98Å; W99-F127 HydrophobicContact CZ3-CE1 3.98Å; W99-A132 WeakPolarHBondContact CZ3-O 3.43Å; W99-D138 HydrophobicContact CH2-CB 3.79Å; W99-D138 HydrophobicContact CZ2-CB 4.12Å
100	R	98.5	Very high	98.2	Very high	27 Å²	27	27.1 Å²	27.1	10%	0.102	14%	0.143	C	C	.	.	H	α-helix	trans	-62.3	-27.7	-179.5	-62.9	-164.1	-171.4	-84.3	-6.4	113.4	Y98 G104 N105 Y106 D138	Y98-R100 VanDerWaalsContact C-N 3.26Å; Y98-R100 HydrophobicContact CD1-CB 4.15Å; Y98-R100 HydrophobicContact CE1-CB 3.72Å; Y98-R100 HydrophobicContact CE1-CG 4.06Å; Y98-R100 HydrophobicContact CE2-CB 4.3Å; Y98-R100 HydrophobicContact CE2-CG 3.94Å; Y98-R100 PolarHBondContact O-N 2.83Å; Y98-R100 VanDerWaalsContact O-N 3.15Å; Y98-R100 WeakPolarHBondContact OH-CD 3.49Å; Y98-R100 PolarHBondContact OH-NE 3.24Å; R100-G104 WeakPolarHBondContact CA-O 3.49Å; R100-N105 WeakPolarHBondContact CD-OD1 3.33Å; R100-N105 PolarHBondContact NH1-OD1 2.77Å; R100-Y106 PolarHBondContact NH1-O 2.72Å; R100-Y106 PolarHBondContact NH2-O 3.23Å; R100-D138 IonicContact CZ-OD1 3.41Å; R100-D138 IonicContact CZ-OD2 3.69Å; R100-D138 IonicContact NE-OD1 2.72Å; R100-D138 PolarHBondContact NE-OD1 2.94Å; R100-D138 IonicContact NE-OD2 3.78Å; R100-D138 IonicContact NH2-OD1 3.24Å; R100-D138 PolarHBondContact NH2-OD1 2.66Å; R100-D138 IonicContact NH2-OD2 2.75Å; R100-D138 PolarHBondContact NH2-OD2 2.9Å
101	V	97.9	Very high	98.2	Very high	127 Å²	127	28.9 Å²	28.9	77%	0.77	15%	0.151	S	C	*	.	H	α-helix	trans	-97.7	-39.9	178.2	179.1	0	0	0	0	110.6	Y98 W99	Y98-V101 HydrophobicContact CD1-CG2 3.85Å; Y98-V101 PolarHBondContact O-N 3.42Å; W99-V101 PolarHBondContact O-N 3.38Å
102	H	96.6	Very high	98.2	Very high	62 Å²	62	26.2 Å²	26.2	29%	0.287	14%	0.141	S	C	.	.	H	α-helix	trans	-79.1	-34.3	-171.2	-171.2	63.9	0	0	0	113.8	R91 Y98 W99 F493	R91-H102 PolarHBondContact O-NE2 3.29Å; Y98-H102 WeakPolarHBondContact O-CB 3.49Å; Y98-H102 PolarHBondContact O-N 3.21Å; W99-H102 PolarHBondContact O-N 3.36Å; H102-F493 AromaticContact CE1-CZ 3.78Å; H102-F493 AromaticContact NE2-CE1 3.8Å; H102-F493 AromaticContact NE2-CZ 3.41Å; H102-F493 WeakPolarHBondContact NE2-CZ 3.43Å
103	A	97.4	Very high	98.2	Very high	18 Å²	18	26.2 Å²	26.2	15%	0.149	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.5	-58	-172.5	0	0	0	0	0	113.1	T89 T90 R91 W99 Y106 F417	T89-A103 WeakPolarHBondContact O-CB 3.44Å; T90-A103 WeakPolarHBondContact O-CB 3.42Å; R91-A103 HydrophobicContact CB-CB 4.39Å; W99-A103 PolarHBondContact O-N 2.97Å; A103-Y106 HydrophobicContact CB-CE2 4Å; A103-F417 HydrophobicContact CB-CD1 4.44Å
104	G	97.7	Very high	98.2	Very high	10 Å²	10	28.9 Å²	28.9	10%	0.103	15%	0.153	C	C	.	.			trans	-178	159	-178.1	0	0	0	0	0	112.9	W99 R100 Y106 F417	W99-G104 PolarHBondContact O-N 3.13Å; R100-G104 WeakPolarHBondContact CA-O 3.49Å; G104-Y106 VanDerWaalsContact CA-CE1 3.49Å; G104-Y106 PolarHBondContact O-N 3.42Å; G104-F417 WeakPolarHBondContact CA-O 3.49Å
105	N	98.4	Very high	98.2	Very high	58 Å²	58	32.4 Å²	32.4	31%	0.31	18%	0.178	S	C	.	.			trans	-76.9	58.6	-173.5	-170.5	29.7	0	0	0	112.9	R100 T107 E420	R100-N105 WeakPolarHBondContact CD-OD1 3.33Å; R100-N105 PolarHBondContact NH1-OD1 2.77Å; N105-T107 PolarHBondContact O-N 2.69Å; N105-E420 HydrophobicContact CB-CG 4.35Å; N105-E420 PolarHBondContact ND2-OE1 2.97Å; N105-E420 WeakPolarHBondContact O-CA 3.24Å
106	Y	98.8	Very high	98.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-71.4	129.2	-172.6	-46.1	-35.6	0	0	0	111.5	R85 T89 W99 R100 A103 G104 F417 E420	R85-Y106 HydrophobicContact CB-CD2 4.46Å; R85-Y106 HydrophobicContact CG-CD2 3.93Å; R85-Y106 HydrophobicContact CG-CE2 4.41Å; R85-Y106 HydrophobicContact CG-CG 4.04Å; T89-Y106 HydrophobicContact CG2-CE2 4.14Å; T89-Y106 WeakPolarHBondContact O-CE2 3.48Å; T89-Y106 PolarHBondContact O-OH 3.02Å; W99-Y106 AromaticContact CD1-CD2 3.81Å; W99-Y106 HydrophobicContact CG-CD2 4.48Å; W99-Y106 PolarHBondContact NE1-O 2.85Å; R100-Y106 PolarHBondContact NH1-O 2.72Å; R100-Y106 PolarHBondContact NH2-O 3.23Å; A103-Y106 HydrophobicContact CB-CE2 4Å; G104-Y106 VanDerWaalsContact CA-CE1 3.49Å; G104-Y106 PolarHBondContact O-N 3.42Å; Y106-F417 VanDerWaalsContact OH-CD1 3.23Å; Y106-F417 WeakPolarHBondContact OH-CD1 3.09Å; Y106-E420 CarbonylContact C-O 3.6Å; Y106-E420 WeakPolarHBondContact CA-O 3.49Å
107	T	98.8	Very high	98.1	Very high	15 Å²	15	31.4 Å²	31.4	9%	0.092	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-69.1	136.7	174.5	-62.9	0	0	0	0	109.8	N105 Q111 H112 F397 E420 L421	N105-T107 PolarHBondContact O-N 2.69Å; T107-Q111 HydrophobicContact CG2-CB 4.18Å; T107-Q111 HydrophobicContact CG2-CG 4.05Å; T107-H112 HydrophobicContact CG2-CB 4.14Å; T107-F397 WeakPolarHBondContact O-CE1 3.42Å; T107-E420 PolarHBondContact N-O 2.88Å; T107-E420 PolarHBondContact OG1-O 2.78Å; T107-L421 HydrophobicContact CG2-CD1 3.88Å
108	T	98.9	Very high	98.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-94.6	160.9	177.8	66.6	0	0	0	0	111.2	L82 T83 W99 Q111 H112 F127 S142	L82-T108 CarbonylContact O-C 3.58Å; L82-T108 WeakPolarHBondContact O-CA 3.32Å; T83-T108 HydrophobicContact CG2-CG2 4.03Å; W99-T108 HydrophobicContact CH2-CG2 4.34Å; W99-T108 HydrophobicContact CZ2-CG2 3.64Å; T108-Q111 PolarHBondContact O-N 2.58Å; T108-Q111 WeakPolarHBondContact OG1-CB 3.43Å; T108-Q111 PolarHBondContact OG1-N 2.89Å; T108-Q111 VanDerWaalsContact OG1-N 3.16Å; T108-H112 WeakPolarHBondContact O-CB 3.32Å; T108-H112 PolarHBondContact O-N 2.84Å; T108-F127 HydrophobicContact CG2-CE1 4.44Å; T108-F127 HydrophobicContact CG2-CZ 3.87Å; T108-S142 PolarHBondContact OG1-OG 2.8Å
109	L	98.8	Very high	98.1	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-49.8	-56.5	172	172.4	62.3	0	0	0	112.3	F31 L82 Q111 H112 F113 F210 F397 V400	F31-L109 HydrophobicContact CD2-CD2 4.45Å; F31-L109 HydrophobicContact CE2-CD2 4.48Å; L82-L109 PolarHBondContact O-N 3.03Å; L109-Q111 PolarHBondContact O-N 2.71Å; L109-H112 WeakPolarHBondContact O-CB 3.3Å; L109-H112 PolarHBondContact O-N 3.3Å; L109-F113 HydrophobicContact CD1-CD2 3.65Å; L109-F113 HydrophobicContact CD1-CE2 3.4Å; L109-F113 HydrophobicContact CG-CD2 4.48Å; L109-F113 WeakPolarHBondContact O-CD2 3.48Å; L109-F113 PolarHBondContact O-N 3.21Å; L109-F113 VanDerWaalsContact O-N 3.08Å; L109-F210 HydrophobicContact CD1-CE2 4.24Å; L109-F210 HydrophobicContact CD2-CE2 4.01Å; L109-F210 HydrophobicContact CD2-CZ 3.8Å; L109-F210 HydrophobicContact CG-CE2 3.89Å; L109-F210 HydrophobicContact CG-CZ 3.83Å; L109-F397 HydrophobicContact CB-CB 4.42Å; L109-F397 HydrophobicContact CB-CD1 4.21Å; L109-F397 HydrophobicContact CB-CD2 3.84Å; L109-F397 HydrophobicContact CB-CE2 4.19Å; L109-F397 HydrophobicContact CB-CG 3.9Å; L109-F397 HydrophobicContact CD1-CD2 3.43Å; L109-F397 VanDerWaalsContact CD1-CD2 3.43Å; L109-F397 HydrophobicContact CD1-CE2 3.97Å; L109-F397 HydrophobicContact CD1-CG 4.15Å; L109-F397 HydrophobicContact CG-CD2 4.22Å; L109-V400 HydrophobicContact CD1-CB 4.48Å; L109-V400 HydrophobicContact CD1-CG1 4.33Å
110	P	98.9	Very high	98.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.9	-37.8	177.7	25.9	-36.6	0	0	0	112.8	H112 F113 K114 T120 S142 W143 F210	P110-H112 VanDerWaalsContact C-N 3.3Å; P110-H112 PolarHBondContact O-N 3.08Å; P110-F113 PolarHBondContact O-N 2.84Å; P110-K114 WeakPolarHBondContact O-CB 3.2Å; P110-K114 PolarHBondContact O-N 3.43Å; P110-T120 WeakPolarHBondContact O-CG2 3.32Å; P110-S142 CarbonylContact C-O 3.39Å; P110-W143 HydrophobicContact CB-CD2 4.42Å; P110-W143 HydrophobicContact CB-CE3 3.78Å; P110-W143 HydrophobicContact CB-CH2 3.55Å; P110-W143 HydrophobicContact CB-CZ2 4.19Å; P110-W143 HydrophobicContact CB-CZ3 3.31Å; P110-W143 HydrophobicContact CG-CE3 4.4Å; P110-W143 HydrophobicContact CG-CH2 3.54Å; P110-W143 HydrophobicContact CG-CZ2 3.8Å; P110-W143 HydrophobicContact CG-CZ3 3.87Å; P110-F210 HydrophobicContact CB-CD1 4.17Å; P110-F210 HydrophobicContact CB-CE1 3.98Å
111	Q	98.8	Very high	98.1	Very high	37 Å²	37	32.4 Å²	32.4	17%	0.173	19%	0.186	C	C	.	.	H	α-helix	trans	-60.4	-41.2	174.8	179.9	-174.9	-1.3	0	0	111.6	T107 T108 L109 K114 S115	T107-Q111 HydrophobicContact CG2-CB 4.18Å; T107-Q111 HydrophobicContact CG2-CG 4.05Å; T108-Q111 PolarHBondContact O-N 2.58Å; T108-Q111 WeakPolarHBondContact OG1-CB 3.43Å; T108-Q111 PolarHBondContact OG1-N 2.89Å; T108-Q111 VanDerWaalsContact OG1-N 3.16Å; L109-Q111 PolarHBondContact O-N 2.71Å; Q111-K114 PolarHBondContact O-N 3.16Å; Q111-S115 WeakPolarHBondContact O-CB 3.49Å; Q111-S115 PolarHBondContact O-N 3.23Å
112	H	98.7	Very high	98.1	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.019	15%	0.152	C	C	.	.	H	α-helix	trans	-61.8	-49.5	177.3	-176	75.3	0	0	0	110.9	T107 T108 L109 P110 K114 S115 K116 F397	T107-H112 HydrophobicContact CG2-CB 4.14Å; T108-H112 WeakPolarHBondContact O-CB 3.32Å; T108-H112 PolarHBondContact O-N 2.84Å; L109-H112 WeakPolarHBondContact O-CB 3.3Å; L109-H112 PolarHBondContact O-N 3.3Å; P110-H112 VanDerWaalsContact C-N 3.3Å; P110-H112 PolarHBondContact O-N 3.08Å; H112-K114 VanDerWaalsContact C-N 3.34Å; H112-K114 PolarHBondContact O-N 3.37Å; H112-S115 WeakPolarHBondContact O-CB 3.36Å; H112-S115 PolarHBondContact O-N 3.11Å; H112-S115 PolarHBondContact O-OG 3.2Å; H112-K116 WeakPolarHBondContact O-CG 3.34Å; H112-K116 PolarHBondContact O-N 3.45Å; H112-F397 HydrophobicContact CB-CE2 3.63Å; H112-F397 HydrophobicContact CB-CZ 3.65Å; H112-F397 AromaticContact CG-CE2 3.89Å
113	F	98.6	Very high	98.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-58.9	-44.6	175.4	-86.9	-103.2	0	0	0	111.8	V29 L109 P110 S115 K116 G117 Y118 T120 F210 V400 A404 L406	V29-F113 HydrophobicContact CG2-CD1 4.38Å; V29-F113 HydrophobicContact CG2-CE1 3.57Å; V29-F113 HydrophobicContact CG2-CZ 4.06Å; L109-F113 HydrophobicContact CD1-CD2 3.65Å; L109-F113 HydrophobicContact CD1-CE2 3.4Å; L109-F113 HydrophobicContact CG-CD2 4.48Å; L109-F113 WeakPolarHBondContact O-CD2 3.48Å; L109-F113 PolarHBondContact O-N 3.21Å; L109-F113 VanDerWaalsContact O-N 3.08Å; P110-F113 PolarHBondContact O-N 2.84Å; F113-S115 VanDerWaalsContact C-N 3.32Å; F113-S115 PolarHBondContact O-N 2.77Å; F113-K116 CarbonylContact O-C 3.5Å; F113-K116 WeakPolarHBondContact O-CA 3.37Å; F113-K116 PolarHBondContact O-N 2.73Å; F113-G117 PolarHBondContact O-N 2.71Å; F113-Y118 HydrophobicContact CB-CD2 4.43Å; F113-Y118 HydrophobicContact CB-CG 4.16Å; F113-Y118 AromaticContact CD1-CD1 3.64Å; F113-Y118 HydrophobicContact CD1-CD1 3.64Å; F113-Y118 AromaticContact CD1-CD2 3.87Å; F113-Y118 HydrophobicContact CD1-CD2 3.87Å; F113-Y118 AromaticContact CD1-CE1 3.66Å; F113-Y118 HydrophobicContact CD1-CE1 3.66Å; F113-Y118 AromaticContact CD1-CE2 3.92Å; F113-Y118 HydrophobicContact CD1-CE2 3.92Å; F113-Y118 AromaticContact CD1-CG 3.75Å; F113-Y118 HydrophobicContact CD1-CG 3.75Å; F113-Y118 AromaticContact CD1-CZ 3.82Å; F113-Y118 HydrophobicContact CE1-CD1 4.35Å; F113-Y118 AromaticContact CE1-CE1 3.91Å; F113-Y118 HydrophobicContact CE1-CE1 3.91Å; F113-Y118 HydrophobicContact CE1-CE2 4.3Å; F113-Y118 AromaticContact CE1-CZ 3.91Å; F113-Y118 HydrophobicContact CG-CG 4.46Å; F113-Y118 WeakPolarHBondContact O-CB 3.2Å; F113-Y118 PolarHBondContact O-N 3.24Å; F113-T120 HydrophobicContact CB-CG2 4.16Å; F113-F210 HydrophobicContact CB-CB 4.23Å; F113-F210 HydrophobicContact CB-CD2 4.27Å; F113-F210 HydrophobicContact CB-CG 4.38Å; F113-F210 HydrophobicContact CD1-CB 4.31Å; F113-F210 AromaticContact CD1-CD2 3.84Å; F113-F210 HydrophobicContact CD1-CD2 3.84Å; F113-F210 HydrophobicContact CD1-CG 4.48Å; F113-F210 HydrophobicContact CD2-CD2 4.08Å; F113-F210 HydrophobicContact CD2-CE2 4.32Å; F113-F210 HydrophobicContact CE1-CD2 4.2Å; F113-F210 HydrophobicContact CE2-CD2 4.43Å; F113-F210 HydrophobicContact CE2-CE2 4.48Å; F113-F210 HydrophobicContact CG-CB 4.43Å; F113-F210 AromaticContact CG-CD2 3.77Å; F113-F210 HydrophobicContact CG-CD2 3.77Å; F113-F210 HydrophobicContact CG-CE2 4.46Å; F113-F210 HydrophobicContact CG-CG 4.35Å; F113-F210 HydrophobicContact CZ-CD2 4.48Å; F113-V400 HydrophobicContact CE2-CG1 4.15Å; F113-V400 HydrophobicContact CZ-CG1 3.87Å; F113-A404 HydrophobicContact CE1-CB 3.62Å; F113-A404 HydrophobicContact CZ-CB 3.64Å; F113-L406 HydrophobicContact CD1-CD1 4.02Å; F113-L406 HydrophobicContact CD2-CD1 3.94Å; F113-L406 HydrophobicContact CE1-CD1 3.89Å; F113-L406 HydrophobicContact CE2-CD1 3.81Å; F113-L406 HydrophobicContact CG-CD1 4.05Å; F113-L406 HydrophobicContact CZ-CD1 3.79Å
114	K	98.4	Very high	98.3	Very high	59 Å²	59	22.8 Å²	22.8	26%	0.257	13%	0.131	S	C	.	.	H	α-helix	trans	-58.9	-43.2	176.6	-160.7	174.5	91.2	-166.7	0	112.3	P110 Q111 H112 K116 G117 T120 P140 Y141 W143	P110-K114 WeakPolarHBondContact O-CB 3.2Å; P110-K114 PolarHBondContact O-N 3.43Å; Q111-K114 PolarHBondContact O-N 3.16Å; H112-K114 VanDerWaalsContact C-N 3.34Å; H112-K114 PolarHBondContact O-N 3.37Å; K114-K116 PolarHBondContact O-N 3.14Å; K114-K116 VanDerWaalsContact O-N 3.13Å; K114-G117 PolarHBondContact O-N 2.81Å; K114-T120 HydrophobicContact CB-CG2 3.68Å; K114-T120 WeakPolarHBondContact CD-OG1 3.46Å; K114-T120 HydrophobicContact CG-CG2 4.24Å; K114-P140 PolarHBondContact NZ-O 3.19Å; K114-Y141 WeakPolarHBondContact CE-O 3.47Å; K114-Y141 PolarHBondContact NZ-O 2.93Å; K114-W143 PolarHBondContact NZ-O 2.85Å
115	S	97.7	Very high	98.4	Very high	80 Å²	80	23 Å²	23	56%	0.559	13%	0.129	S	C	*	.	H	α-helix	trans	-62.3	-18.9	176.5	82.1	0	0	0	0	113.4	Q111 H112 F113	Q111-S115 WeakPolarHBondContact O-CB 3.49Å; Q111-S115 PolarHBondContact O-N 3.23Å; H112-S115 WeakPolarHBondContact O-CB 3.36Å; H112-S115 PolarHBondContact O-N 3.11Å; H112-S115 PolarHBondContact O-OG 3.2Å; F113-S115 VanDerWaalsContact C-N 3.32Å; F113-S115 PolarHBondContact O-N 2.77Å
116	K	96.9	Very high	98.4	Very high	77 Å²	77	20.3 Å²	20.3	34%	0.335	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	11.6	176.8	-56.9	-55.9	178	-173.3	0	113.1	R26 H112 F113 K114 L406	R26-K116 PolarHBondContact NH1-O 2.87Å; H112-K116 WeakPolarHBondContact O-CG 3.34Å; H112-K116 PolarHBondContact O-N 3.45Å; F113-K116 CarbonylContact O-C 3.5Å; F113-K116 WeakPolarHBondContact O-CA 3.37Å; F113-K116 PolarHBondContact O-N 2.73Å; K114-K116 PolarHBondContact O-N 3.14Å; K114-K116 VanDerWaalsContact O-N 3.13Å; K116-L406 HydrophobicContact CB-CD1 4.43Å; K116-L406 HydrophobicContact CB-CD2 3.84Å; K116-L406 HydrophobicContact CG-CD1 4.16Å; K116-L406 HydrophobicContact CG-CD2 3.96Å
117	G	95.7	Very high	98.4	Very high	53 Å²	53	20.3 Å²	20.3	55%	0.546	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.7	12.9	173.7	0	0	0	0	0	114.5	F113 K114	F113-G117 PolarHBondContact O-N 2.71Å; K114-G117 PolarHBondContact O-N 2.81Å
118	Y	97.8	Very high	98.4	Very high	5 Å²	5	21.4 Å²	21.4	2%	0.02	12%	0.118	C	C	.	.			trans	-75.9	144.9	169.9	-77.5	-114	0	0	0	110.9	R26 S27 F113 P208 F209 F210 L406	R26-Y118 HydrophobicContact CB-CE2 4.49Å; S27-Y118 VanDerWaalsContact O-CE1 3.22Å; S27-Y118 WeakPolarHBondContact O-CE1 3.25Å; S27-Y118 PolarHBondContact O-OH 2.88Å; F113-Y118 HydrophobicContact CB-CD2 4.43Å; F113-Y118 HydrophobicContact CB-CG 4.16Å; F113-Y118 AromaticContact CD1-CD1 3.64Å; F113-Y118 HydrophobicContact CD1-CD1 3.64Å; F113-Y118 AromaticContact CD1-CD2 3.87Å; F113-Y118 HydrophobicContact CD1-CD2 3.87Å; F113-Y118 AromaticContact CD1-CE1 3.66Å; F113-Y118 HydrophobicContact CD1-CE1 3.66Å; F113-Y118 AromaticContact CD1-CE2 3.92Å; F113-Y118 HydrophobicContact CD1-CE2 3.92Å; F113-Y118 AromaticContact CD1-CG 3.75Å; F113-Y118 HydrophobicContact CD1-CG 3.75Å; F113-Y118 AromaticContact CD1-CZ 3.82Å; F113-Y118 HydrophobicContact CE1-CD1 4.35Å; F113-Y118 AromaticContact CE1-CE1 3.91Å; F113-Y118 HydrophobicContact CE1-CE1 3.91Å; F113-Y118 HydrophobicContact CE1-CE2 4.3Å; F113-Y118 AromaticContact CE1-CZ 3.91Å; F113-Y118 HydrophobicContact CG-CG 4.46Å; F113-Y118 WeakPolarHBondContact O-CB 3.2Å; F113-Y118 PolarHBondContact O-N 3.24Å; Y118-P208 WeakPolarHBondContact CA-O 3.48Å; Y118-P208 HydrophobicContact CD1-CB 3.84Å; Y118-P208 HydrophobicContact CD1-CG 4.15Å; Y118-P208 HydrophobicContact CD2-CG 4.14Å; Y118-P208 HydrophobicContact CE1-CB 3.61Å; Y118-P208 HydrophobicContact CE1-CG 4.14Å; Y118-P208 HydrophobicContact CE2-CB 4.4Å; Y118-P208 HydrophobicContact CE2-CG 4.1Å; Y118-P208 HydrophobicContact CG-CB 4.35Å; Y118-P208 HydrophobicContact CG-CG 4.16Å; Y118-F209 WeakPolarHBondContact CD1-O 3.32Å; Y118-F210 HydrophobicContact CD1-CB 4.29Å; Y118-L406 HydrophobicContact CE2-CD2 4.16Å
119	Y	97.8	Very high	98.3	Very high	72 Å²	72	24.2 Å²	24.2	28%	0.282	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	115.3	163.8	-161.4	-91.5	0	0	0	109.5	M121 V145 P208 F209 F210	Y119-M121 HydrophobicContact CD1-CE 4.2Å; Y119-M121 HydrophobicContact CD1-CG 3.59Å; Y119-M121 HydrophobicContact CD1-SD 3.65Å; Y119-M121 HydrophobicContact CE1-CG 3.57Å; Y119-M121 HydrophobicContact CE1-SD 3.65Å; Y119-V145 WeakPolarHBondContact OH-CG1 3.39Å; Y119-P208 PolarHBondContact N-O 2.82Å; Y119-F209 CarbonylContact O-C 3.43Å; Y119-F209 VanDerWaalsContact O-CA 3.31Å; Y119-F209 WeakPolarHBondContact O-CA 3.41Å; Y119-F210 PolarHBondContact O-N 2.85Å
120	T	98.8	Very high	98.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	127.7	-169.8	59.2	0	0	0	0	111.2	P110 F113 K114 S142 W143 S144 F210	P110-T120 WeakPolarHBondContact O-CG2 3.32Å; F113-T120 HydrophobicContact CB-CG2 4.16Å; K114-T120 HydrophobicContact CB-CG2 3.68Å; K114-T120 WeakPolarHBondContact CD-OG1 3.46Å; K114-T120 HydrophobicContact CG-CG2 4.24Å; T120-S142 PolarHBondContact OG1-O 3.06Å; T120-W143 WeakPolarHBondContact OG1-CA 3.22Å; T120-S144 PolarHBondContact N-OG 3.28Å; T120-S144 WeakPolarHBondContact O-CB 3.42Å; T120-S144 PolarHBondContact O-N 3.26Å; T120-S144 PolarHBondContact OG1-N 3.24Å; T120-S144 VanDerWaalsContact OG1-N 3.1Å; T120-S144 PolarHBondContact OG1-OG 3.48Å; T120-F210 CarbonylContact C-O 3.47Å; T120-F210 WeakPolarHBondContact CA-O 3.49Å; T120-F210 HydrophobicContact CG2-CB 3.95Å
121	M	98.8	Very high	98.2	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.01	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	145.2	-172	-60.8	172.6	-68.9	0	0	110.2	Y119 W143 V145 L198 R202 F209 F210 L211 A212	Y119-M121 HydrophobicContact CD1-CE 4.2Å; Y119-M121 HydrophobicContact CD1-CG 3.59Å; Y119-M121 HydrophobicContact CD1-SD 3.65Å; Y119-M121 HydrophobicContact CE1-CG 3.57Å; Y119-M121 HydrophobicContact CE1-SD 3.65Å; M121-W143 WeakPolarHBondContact O-CZ3 3.5Å; M121-V145 HydrophobicContact CG-CG2 4.48Å; M121-L198 HydrophobicContact CB-CD1 4.24Å; M121-L198 HydrophobicContact SD-CB 4.16Å; M121-L198 HydrophobicContact SD-CD1 4.01Å; M121-L198 HydrophobicContact SD-CD2 3.8Å; M121-L198 HydrophobicContact SD-CG 4.21Å; M121-R202 HydrophobicContact CE-CG 3.88Å; M121-R202 HydrophobicContact SD-CG 4.48Å; M121-F209 HydrophobicContact CE-CB 3.99Å; M121-F209 HydrophobicContact CE-CG 4.45Å; M121-F210 PolarHBondContact N-O 2.72Å; M121-L211 HydrophobicContact CB-CD1 3.78Å; M121-L211 HydrophobicContact CE-CB 4.22Å; M121-L211 HydrophobicContact CE-CD1 4.31Å; M121-A212 PolarHBondContact O-N 2.99Å
122	S	98.9	Very high	98.2	Very high	5 Å²	5	26.4 Å²	26.4	4%	0.035	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	132.8	177.6	179.7	0	0	0	0	110	V126 Y148 A212	S122-V126 WeakPolarHBondContact OG-CB 3.38Å; S122-V126 VanDerWaalsContact OG-CG2 3.3Å; S122-V126 WeakPolarHBondContact OG-CG2 3.37Å; S122-Y148 PolarHBondContact O-N 2.95Å; S122-A212 WeakPolarHBondContact CA-O 3.23Å
123	V	98.9	Very high	98.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	129.7	177.8	-178.3	0	0	0	0	108.8	Y148 S191 E194 L198 L211 A212 V213 G214	V123-Y148 CarbonylContact C-O 3.58Å; V123-Y148 WeakPolarHBondContact CA-O 3.23Å; V123-Y148 HydrophobicContact CG1-CD1 3.87Å; V123-S191 VanDerWaalsContact CG1-O 3.29Å; V123-S191 WeakPolarHBondContact CG1-O 3.04Å; V123-E194 HydrophobicContact CG1-CB 4.17Å; V123-E194 HydrophobicContact CG1-CG 4.22Å; V123-E194 HydrophobicContact CG2-CG 4.12Å; V123-L198 HydrophobicContact CG2-CD1 3.56Å; V123-L211 HydrophobicContact CG2-CD1 4Å; V123-A212 PolarHBondContact N-O 3.42Å; V123-V213 WeakPolarHBondContact O-CA 3.37Å; V123-G214 PolarHBondContact O-N 3.22Å
124	G	98.8	Very high	98.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	73.3	-151	-179.1	0	0	0	0	0	112.8	V126 Y148 H149 G214	G124-V126 PolarHBondContact O-N 2.83Å; G124-Y148 PolarHBondContact N-O 3.34Å; G124-H149 PolarHBondContact O-CE1 2.02Å; G124-H149 PolarHBondContact O-ND1 3.09Å; G124-G214 CarbonylContact C-O 3.57Å; G124-G214 WeakPolarHBondContact CA-O 3.22Å
125	K	98.8	Very high	98.2	Very high	15 Å²	15	33 Å²	33	7%	0.065	19%	0.189	C	C	.	.	S	Bend	trans	-90.3	86.5	-173.7	-168.9	-172.7	-177.1	-161.2	0	110.5	D35 C74 R78 G214	D35-K125 HydrophobicContact CB-CD 4.42Å; D35-K125 IonicContact OD1-NZ 3.08Å; D35-K125 PolarHBondContact OD1-NZ 3.47Å; D35-K125 WeakPolarHBondContact OD2-CD 3.38Å; D35-K125 IonicContact OD2-NZ 3.87Å; D35-K125 PolarHBondContact OD2-NZ 3.08Å; C74-K125 PolarHBondContact SG-NZ 2.88Å; C74-K125 VanDerWaalsContact SG-NZ 3.36Å; R78-K125 PolarHBondContact NH1-O 3.31Å; K125-G214 PolarHBondContact N-O 3Å; K125-G214 WeakPolarHBondContact O-CA 2.94Å
126	V	98.8	Very high	98.2	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	18%	0.178	C	C	.	.	S	Bend	trans	-94	-65.7	172.7	179	0	0	0	0	109.8	R78 L82 S122 G124 W143 A212	R78-V126 WeakPolarHBondContact CD-O 3.25Å; R78-V126 PolarHBondContact NH1-O 3.34Å; L82-V126 HydrophobicContact CD1-CG1 4.23Å; S122-V126 WeakPolarHBondContact OG-CB 3.38Å; S122-V126 VanDerWaalsContact OG-CG2 3.3Å; S122-V126 WeakPolarHBondContact OG-CG2 3.37Å; G124-V126 PolarHBondContact O-N 2.83Å; V126-W143 HydrophobicContact CG1-CH2 4.05Å; V126-W143 HydrophobicContact CG1-CZ2 4.06Å; V126-A212 HydrophobicContact CB-CB 4.39Å; V126-A212 HydrophobicContact CG1-CB 3.87Å; V126-A212 HydrophobicContact CG2-CB 3.64Å
127	F	98.8	Very high	98.3	Very high	1 Å²	1	28.8 Å²	28.8	0%	0.004	17%	0.166	C	C	.	.	S	Bend	trans	-74.8	155.7	162.5	-78.6	-72.3	0	0	0	110.2	L82 W99 T108 D137 D138 W143	L82-F127 HydrophobicContact CB-CE1 4.12Å; L82-F127 HydrophobicContact CB-CZ 4.32Å; L82-F127 HydrophobicContact CD1-CD1 3.57Å; L82-F127 HydrophobicContact CD1-CD2 4.3Å; L82-F127 HydrophobicContact CD1-CE1 3.34Å; L82-F127 HydrophobicContact CD1-CE2 4.12Å; L82-F127 HydrophobicContact CD1-CG 4.05Å; L82-F127 HydrophobicContact CD1-CZ 3.63Å; L82-F127 HydrophobicContact CG-CE1 4.36Å; W99-F127 HydrophobicContact CH2-CD1 4.04Å; W99-F127 AromaticContact CH2-CE1 3.44Å; W99-F127 HydrophobicContact CH2-CE1 3.44Å; W99-F127 VanDerWaalsContact CH2-CE1 3.44Å; W99-F127 AromaticContact CH2-CZ 3.98Å; W99-F127 HydrophobicContact CH2-CZ 3.98Å; W99-F127 HydrophobicContact CZ2-CE1 4.31Å; W99-F127 HydrophobicContact CZ3-CD1 4.23Å; W99-F127 AromaticContact CZ3-CE1 3.98Å; W99-F127 HydrophobicContact CZ3-CE1 3.98Å; T108-F127 HydrophobicContact CG2-CE1 4.44Å; T108-F127 HydrophobicContact CG2-CZ 3.87Å; F127-D137 HydrophobicContact CD2-CB 4.23Å; F127-D137 WeakPolarHBondContact CD2-O 3.38Å; F127-D138 HydrophobicContact CE2-CB 4.08Å; F127-D138 HydrophobicContact CZ-CB 4.17Å; F127-W143 AromaticContact CD2-CZ2 3.83Å; F127-W143 HydrophobicContact CD2-CZ2 3.83Å; F127-W143 AromaticContact CD2-NE1 3.83Å; F127-W143 AromaticContact CE2-CE2 3.96Å; F127-W143 AromaticContact CE2-CZ2 3.64Å; F127-W143 HydrophobicContact CE2-CZ2 3.64Å; F127-W143 AromaticContact CE2-NE1 3.82Å
128	H	98.4	Very high	98.4	Very high	37 Å²	37	26.2 Å²	26.2	17%	0.171	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-70.9	130.1	164.9	-169.1	84.4	0	0	0	108.9	A75 A132 S133	A75-H128 HydrophobicContact CB-CB 3.61Å; H128-A132 HydrophobicContact CB-CB 4.49Å; H128-S133 WeakPolarHBondContact O-CB 3.41Å; H128-S133 PolarHBondContact O-OG 2.74Å
129	P	97.1	Very high	98.4	Very high	59 Å²	59	30.6 Å²	30.6	38%	0.383	16%	0.157	S	C	.	.	S	Bend	trans	-67.8	162.5	-179.8	29.5	-36.2	0	0	0	111.1
130	G	97.8	Very high	98.5	Very high	25 Å²	25	30.6 Å²	30.6	26%	0.258	17%	0.166	S	C	.	.	S	Bend	trans	91.7	-158.1	179.1	0	0	0	0	0	113.1	A132 S133 N134 H135	G130-A132 PolarHBondContact O-N 3.18Å; G130-S133 PolarHBondContact O-N 2.78Å; G130-S133 VanDerWaalsContact O-N 3.14Å; G130-S133 PolarHBondContact O-OG 2.95Å; G130-N134 PolarHBondContact O-N 3.25Å; G130-H135 WeakPolarHBondContact CA-ND1 3.35Å; G130-H135 WeakPolarHBondContact O-CA 3.45Å; G130-H135 PolarHBondContact O-N 3.25Å
131	I	98.4	Very high	98.4	Very high	58 Å²	58	35.7 Å²	35.7	30%	0.297	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-63.6	-28	-169.8	-173	58.5	0	0	0	112.9	F95 N96 Y98 S133 N134 H135	F95-I131 WeakPolarHBondContact O-CG2 3.48Å; N96-I131 VanDerWaalsContact C-CG2 3.43Å; Y98-I131 WeakPolarHBondContact CB-O 3.45Å; I131-S133 PolarHBondContact O-N 2.97Å; I131-N134 PolarHBondContact O-N 3.04Å; I131-H135 PolarHBondContact N-CE1 3.01Å
132	A	97.9	Very high	98.5	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.008	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-52.4	-29.8	175.4	0	0	0	0	0	113.6	A75 L92 S97 W99 H128 G130	A75-A132 HydrophobicContact CB-CB 3.96Å; L92-A132 HydrophobicContact CD2-CB 4.35Å; S97-A132 WeakPolarHBondContact O-CA 3.49Å; W99-A132 WeakPolarHBondContact CZ3-O 3.43Å; H128-A132 HydrophobicContact CB-CB 4.49Å; G130-A132 PolarHBondContact O-N 3.18Å
133	S	98.4	Very high	98.4	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.007	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-122.6	27.8	176.2	59.5	0	0	0	0	112.5	H128 G130 I131 H135 T136 D137 D138	H128-S133 WeakPolarHBondContact O-CB 3.41Å; H128-S133 PolarHBondContact O-OG 2.74Å; G130-S133 PolarHBondContact O-N 2.78Å; G130-S133 VanDerWaalsContact O-N 3.14Å; G130-S133 PolarHBondContact O-OG 2.95Å; I131-S133 PolarHBondContact O-N 2.97Å; S133-H135 PolarHBondContact O-N 3.42Å; S133-T136 PolarHBondContact O-N 3.3Å; S133-D137 PolarHBondContact O-N 3.32Å; S133-D138 PolarHBondContact O-N 2.67Å
134	N	98.5	Very high	98.4	Very high	71 Å²	71	37.1 Å²	37.1	38%	0.38	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	26.9	-179.8	-160.7	36.6	0	0	0	114.8	Y98 G130 I131 T136	Y98-N134 HydrophobicContact CD1-CB 3.69Å; Y98-N134 HydrophobicContact CD2-CB 4.14Å; Y98-N134 HydrophobicContact CE1-CB 3.58Å; Y98-N134 HydrophobicContact CE2-CB 4.06Å; Y98-N134 HydrophobicContact CG-CB 3.96Å; G130-N134 PolarHBondContact O-N 3.25Å; I131-N134 PolarHBondContact O-N 3.04Å; N134-T136 PolarHBondContact O-N 3.45Å; N134-T136 VanDerWaalsContact O-N 3.08Å
135	H	98.3	Very high	98.4	Very high	131 Å²	131	39.7 Å²	39.7	61%	0.606	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.7	8	-176.1	-50.4	-88.5	0	0	0	115.1	G130 I131 S133	G130-H135 WeakPolarHBondContact CA-ND1 3.35Å; G130-H135 WeakPolarHBondContact O-CA 3.45Å; G130-H135 PolarHBondContact O-N 3.25Å; I131-H135 PolarHBondContact N-CE1 3.01Å; S133-H135 PolarHBondContact O-N 3.42Å
136	T	98.3	Very high	98.4	Very high	54 Å²	54	43.4 Å²	43.4	33%	0.331	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.4	14.3	-173.6	62.7	0	0	0	0	112.8	S133 N134 D138 Y139	S133-T136 PolarHBondContact O-N 3.3Å; N134-T136 PolarHBondContact O-N 3.45Å; N134-T136 VanDerWaalsContact O-N 3.08Å; T136-D138 PolarHBondContact O-N 3.15Å; T136-Y139 WeakPolarHBondContact O-CB 3.46Å; T136-Y139 PolarHBondContact O-N 3.09Å; T136-Y139 PolarHBondContact OG1-O 3.39Å; T136-Y139 VanDerWaalsContact OG1-O 3.09Å
137	D	98.6	Very high	98.4	Very high	13 Å²	13	44.2 Å²	44.2	7%	0.07	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	36	-173.7	-58.8	-89.3	0	0	0	111.7	F127 S133 Y139 W143 A147 H149	F127-D137 HydrophobicContact CD2-CB 4.23Å; F127-D137 WeakPolarHBondContact CD2-O 3.38Å; S133-D137 PolarHBondContact O-N 3.32Å; D137-Y139 PolarHBondContact O-N 2.92Å; D137-W143 PolarHBondContact O-NE1 3.42Å; D137-A147 HydrophobicContact CB-CB 3.92Å; D137-H149 VanDerWaalsContact CG-NE2 3.33Å; D137-H149 IonicContact OD1-CE1 3.33Å; D137-H149 PolarHBondContact OD1-CE1 3.24Å; D137-H149 IonicContact OD1-NE2 3.31Å; D137-H149 PolarHBondContact OD1-NE2 3.35Å; D137-H149 IonicContact OD2-CD2 3.78Å; D137-H149 IonicContact OD2-CE1 3.62Å; D137-H149 IonicContact OD2-NE2 2.74Å; D137-H149 PolarHBondContact OD2-NE2 3.38Å
138	D	98.8	Very high	98.4	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	21	-175.5	-170.6	58.7	0	0	0	114.6	Y98 W99 R100 F127 S133 T136 Y141 S142	Y98-D138 PolarHBondContact OH-OD1 2.75Å; W99-D138 HydrophobicContact CH2-CB 3.79Å; W99-D138 HydrophobicContact CZ2-CB 4.12Å; R100-D138 IonicContact CZ-OD1 3.41Å; R100-D138 IonicContact CZ-OD2 3.69Å; R100-D138 IonicContact NE-OD1 2.72Å; R100-D138 PolarHBondContact NE-OD1 2.94Å; R100-D138 IonicContact NE-OD2 3.78Å; R100-D138 IonicContact NH2-OD1 3.24Å; R100-D138 PolarHBondContact NH2-OD1 2.66Å; R100-D138 IonicContact NH2-OD2 2.75Å; R100-D138 PolarHBondContact NH2-OD2 2.9Å; F127-D138 HydrophobicContact CE2-CB 4.08Å; F127-D138 HydrophobicContact CZ-CB 4.17Å; S133-D138 PolarHBondContact O-N 2.67Å; T136-D138 PolarHBondContact O-N 3.15Å; D138-Y141 WeakPolarHBondContact O-CB 3.47Å; D138-Y141 PolarHBondContact O-N 3.02Å; D138-S142 PolarHBondContact O-N 3.29Å; D138-S142 VanDerWaalsContact O-N 3.09Å; D138-S142 PolarHBondContact OD2-OG 3.38Å
139	Y	98.1	Very high	98.4	Very high	96 Å²	96	49.6 Å²	49.6	38%	0.376	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	137.8	167.9	-175.1	-90	0	0	0	110.4	T136 D137 W143	T136-Y139 WeakPolarHBondContact O-CB 3.46Å; T136-Y139 PolarHBondContact O-N 3.09Å; T136-Y139 PolarHBondContact OG1-O 3.39Å; T136-Y139 VanDerWaalsContact OG1-O 3.09Å; D137-Y139 PolarHBondContact O-N 2.92Å; Y139-W143 HydrophobicContact CD2-CB 4.44Å
140	P	98.4	Very high	98.4	Very high	72 Å²	72	47 Å²	47	47%	0.468	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	cis	-96.7	16.6	11.3	39.4	-37.3	0	0	0	114.7	K114	K114-P140 PolarHBondContact NZ-O 3.19Å
141	Y	98.8	Very high	98.4	Very high	107 Å²	107	51.8 Å²	51.8	42%	0.42	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-56.1	-177.1	-56.1	-75.9	0	0	0	111.4	K114 D138	K114-Y141 WeakPolarHBondContact CE-O 3.47Å; K114-Y141 PolarHBondContact NZ-O 2.93Å; D138-Y141 WeakPolarHBondContact O-CB 3.47Å; D138-Y141 PolarHBondContact O-N 3.02Å
142	S	98.8	Very high	98.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.25	C	C	.	.	S	Bend	trans	-71	-44.3	-172	-77.4	0	0	0	0	113.9	T108 P110 T120 D138	T108-S142 PolarHBondContact OG1-OG 2.8Å; P110-S142 CarbonylContact C-O 3.39Å; T120-S142 PolarHBondContact OG1-O 3.06Å; D138-S142 PolarHBondContact O-N 3.29Å; D138-S142 VanDerWaalsContact O-N 3.09Å; D138-S142 PolarHBondContact OD2-OG 3.38Å
143	W	98.8	Very high	98.4	Very high	1 Å²	1	53 Å²	53	0%	0.004	27%	0.267	C	S	.	.			trans	-113.8	151.5	-165.2	-47.9	112.3	0	0	0	113.5	P110 K114 T120 M121 V126 F127 D137 Y139 V145 F210 A212	P110-W143 HydrophobicContact CB-CD2 4.42Å; P110-W143 HydrophobicContact CB-CE3 3.78Å; P110-W143 HydrophobicContact CB-CH2 3.55Å; P110-W143 HydrophobicContact CB-CZ2 4.19Å; P110-W143 HydrophobicContact CB-CZ3 3.31Å; P110-W143 HydrophobicContact CG-CE3 4.4Å; P110-W143 HydrophobicContact CG-CH2 3.54Å; P110-W143 HydrophobicContact CG-CZ2 3.8Å; P110-W143 HydrophobicContact CG-CZ3 3.87Å; K114-W143 PolarHBondContact NZ-O 2.85Å; T120-W143 WeakPolarHBondContact OG1-CA 3.22Å; M121-W143 WeakPolarHBondContact O-CZ3 3.5Å; V126-W143 HydrophobicContact CG1-CH2 4.05Å; V126-W143 HydrophobicContact CG1-CZ2 4.06Å; F127-W143 AromaticContact CD2-CZ2 3.83Å; F127-W143 HydrophobicContact CD2-CZ2 3.83Å; F127-W143 AromaticContact CD2-NE1 3.83Å; F127-W143 AromaticContact CE2-CE2 3.96Å; F127-W143 AromaticContact CE2-CZ2 3.64Å; F127-W143 HydrophobicContact CE2-CZ2 3.64Å; F127-W143 AromaticContact CE2-NE1 3.82Å; D137-W143 PolarHBondContact O-NE1 3.42Å; Y139-W143 HydrophobicContact CD2-CB 4.44Å; W143-V145 WeakPolarHBondContact CB-O 3.48Å; W143-F210 HydrophobicContact CH2-CE1 4.42Å; W143-F210 HydrophobicContact CZ3-CD1 4.21Å; W143-F210 HydrophobicContact CZ3-CE1 4.17Å; W143-A212 HydrophobicContact CH2-CB 3.85Å; W143-A212 HydrophobicContact CZ3-CB 4.17Å
144	S	98.5	Very high	98.3	Very high	36 Å²	36	60.2 Å²	60.2	25%	0.252	29%	0.294	S	S	.	.	S	Bend	trans	-76.4	-27.7	174.6	-63.9	0	0	0	0	112.1	T120	T120-S144 PolarHBondContact N-OG 3.28Å; T120-S144 WeakPolarHBondContact O-CB 3.42Å; T120-S144 PolarHBondContact O-N 3.26Å; T120-S144 PolarHBondContact OG1-N 3.24Å; T120-S144 VanDerWaalsContact OG1-N 3.1Å; T120-S144 PolarHBondContact OG1-OG 3.48Å
145	V	97.9	Very high	98.2	Very high	54 Å²	54	58.2 Å²	58.2	33%	0.327	28%	0.282	S	S	.	.	S	Bend	trans	-136.2	158.9	174.8	-72	0	0	0	0	109.5	Y119 M121 W143 A147	Y119-V145 WeakPolarHBondContact OH-CG1 3.39Å; M121-V145 HydrophobicContact CG-CG2 4.48Å; W143-V145 WeakPolarHBondContact CB-O 3.48Å; V145-A147 PolarHBondContact O-N 2.87Å
146	P	98.6	Very high	97.9	Very high	93 Å²	93	52.6 Å²	52.6	60%	0.604	26%	0.256	S	S	*	.	P	Polyproline II helix	trans	-51.8	138.8	171.2	-26.6	35.9	0	0	0	111.6
147	A	98.5	Very high	97.5	Very high	18 Å²	18	59 Å²	59	15%	0.149	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-61.7	143.7	179.4	0	0	0	0	0	111.2	D137 V145	D137-A147 HydrophobicContact CB-CB 3.92Å; V145-A147 PolarHBondContact O-N 2.87Å
148	Y	98.8	Very high	97.3	Very high	73 Å²	73	62.5 Å²	62.5	29%	0.286	30%	0.295	S	S	.	.	B	Isolated β-bridge	trans	-86.6	127.7	171.1	175.9	-87.1	0	0	0	110	S122 V123 G124 P150 E194	S122-Y148 PolarHBondContact O-N 2.95Å; V123-Y148 CarbonylContact C-O 3.58Å; V123-Y148 WeakPolarHBondContact CA-O 3.23Å; V123-Y148 HydrophobicContact CG1-CD1 3.87Å; G124-Y148 PolarHBondContact N-O 3.34Å; Y148-P150 HydrophobicContact CE1-CB 4.24Å; Y148-E194 HydrophobicContact CD1-CB 3.99Å; Y148-E194 HydrophobicContact CD1-CG 3.79Å; Y148-E194 HydrophobicContact CD2-CG 3.87Å; Y148-E194 HydrophobicContact CE1-CB 3.88Å; Y148-E194 HydrophobicContact CE1-CG 4.15Å; Y148-E194 HydrophobicContact CE2-CB 4.42Å; Y148-E194 HydrophobicContact CE2-CG 4.23Å; Y148-E194 HydrophobicContact CG-CB 4.3Å; Y148-E194 HydrophobicContact CG-CG 3.63Å
149	H	98.6	Very high	97.2	Very high	78 Å²	78	68.1 Å²	68.1	36%	0.361	32%	0.319	S	S	.	.			trans	-117.7	129.4	171.2	-66.7	-74.7	0	0	0	109.4	G124 D137 F151	G124-H149 PolarHBondContact O-CE1 2.02Å; G124-H149 PolarHBondContact O-ND1 3.09Å; D137-H149 VanDerWaalsContact CG-NE2 3.33Å; D137-H149 IonicContact OD1-CE1 3.33Å; D137-H149 PolarHBondContact OD1-CE1 3.24Å; D137-H149 IonicContact OD1-NE2 3.31Å; D137-H149 PolarHBondContact OD1-NE2 3.35Å; D137-H149 IonicContact OD2-CD2 3.78Å; D137-H149 IonicContact OD2-CE1 3.62Å; D137-H149 IonicContact OD2-NE2 2.74Å; D137-H149 PolarHBondContact OD2-NE2 3.38Å; H149-F151 PolarHBondContact O-N 3.42Å
150	P	98.3	Very high	97.1	Very high	6 Å²	6	64.6 Å²	64.6	4%	0.039	31%	0.306	C	S	.	.			trans	-64	132.7	-177.4	27.5	-35.8	0	0	0	111	Y148 S152 F153 P187 E190	Y148-P150 HydrophobicContact CE1-CB 4.24Å; P150-S152 VanDerWaalsContact C-N 3.33Å; P150-S152 PolarHBondContact O-N 3.44Å; P150-F153 HydrophobicContact CG-CB 4.26Å; P150-F153 WeakPolarHBondContact O-CB 3.27Å; P150-F153 PolarHBondContact O-N 2.94Å; P150-P187 HydrophobicContact CB-CB 4.15Å; P150-P187 WeakPolarHBondContact CB-O 3.37Å; P150-P187 HydrophobicContact CG-CB 3.78Å; P150-E190 VanDerWaalsContact C-OE2 3.3Å; P150-E190 VanDerWaalsContact CA-OE2 3.25Å; P150-E190 WeakPolarHBondContact CA-OE2 3.42Å; P150-E190 HydrophobicContact CB-CB 3.71Å; P150-E190 HydrophobicContact CB-CG 4.47Å; P150-E190 WeakPolarHBondContact CB-OE2 3.44Å
151	F	97.8	Very high	96.9	Very high	125 Å²	125	61.4 Å²	61.4	55%	0.548	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-62.9	-40.8	-176.7	176.4	-96.1	0	0	0	111.7	H149 F153 R154 F155 E190	H149-F151 PolarHBondContact O-N 3.42Å; F151-F153 PolarHBondContact O-N 2.83Å; F151-F153 VanDerWaalsContact O-N 3.08Å; F151-R154 VanDerWaalsContact CE2-NH1 3.28Å; F151-R154 WeakPolarHBondContact O-CD 3.44Å; F151-R154 VanDerWaalsContact O-CG 3.3Å; F151-R154 WeakPolarHBondContact O-CG 3.21Å; F151-R154 PolarHBondContact O-N 2.82Å; F151-F155 HydrophobicContact CD1-CE2 4.08Å; F151-F155 AromaticContact CE1-CE2 3.76Å; F151-F155 HydrophobicContact CE1-CE2 3.76Å; F151-F155 AromaticContact CE1-CZ 3.79Å; F151-F155 HydrophobicContact CE1-CZ 3.79Å; F151-F155 HydrophobicContact CZ-CZ 4.43Å; F151-E190 PolarHBondContact N-OE2 3.13Å
152	S	97.9	Very high	96.6	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.007	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-65.2	-11.2	-178.2	56.3	0	0	0	0	114.5	P150 R154 F155 P187 E190 R223	P150-S152 VanDerWaalsContact C-N 3.33Å; P150-S152 PolarHBondContact O-N 3.44Å; S152-R154 PolarHBondContact O-N 3.43Å; S152-F155 WeakPolarHBondContact O-CB 3.36Å; S152-F155 WeakPolarHBondContact O-CD2 3.49Å; S152-F155 PolarHBondContact O-N 3.03Å; S152-F155 VanDerWaalsContact O-N 3.12Å; S152-P187 WeakPolarHBondContact OG-CA 3.22Å; S152-P187 WeakPolarHBondContact OG-CD 3.46Å; S152-P187 VanDerWaalsContact OG-N 3.07Å; S152-E190 WeakPolarHBondContact CB-OE1 3.32Å; S152-E190 PolarHBondContact N-OE1 2.95Å; S152-E190 VanDerWaalsContact N-OE1 3.13Å; S152-E190 PolarHBondContact OG-OE1 3.1Å; S152-R223 PolarHBondContact O-NH2 3.06Å
153	F	97.1	Very high	96	Very high	83 Å²	83	63.7 Å²	63.7	36%	0.364	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-59.7	-30.4	175.3	-179.7	-108.1	0	0	0	112.3	P150 F151 F155 E156 P187 H216	P150-F153 HydrophobicContact CG-CB 4.26Å; P150-F153 WeakPolarHBondContact O-CB 3.27Å; P150-F153 PolarHBondContact O-N 2.94Å; F151-F153 PolarHBondContact O-N 2.83Å; F151-F153 VanDerWaalsContact O-N 3.08Å; F153-F155 PolarHBondContact O-N 3.35Å; F153-E156 HydrophobicContact CD2-CB 4.49Å; F153-E156 HydrophobicContact CD2-CG 3.74Å; F153-E156 HydrophobicContact CE2-CB 4.5Å; F153-E156 HydrophobicContact CE2-CG 4.06Å; F153-E156 WeakPolarHBondContact O-CB 3.42Å; F153-E156 WeakPolarHBondContact O-CG 3.4Å; F153-E156 PolarHBondContact O-N 2.99Å; F153-P187 HydrophobicContact CB-CB 4.29Å; F153-P187 HydrophobicContact CB-CG 4.19Å; F153-P187 HydrophobicContact CD2-CG 4.49Å; F153-H216 AromaticContact CD2-CD2 3.33Å; F153-H216 WeakPolarHBondContact CD2-CD2 3.39Å; F153-H216 AromaticContact CD2-NE2 3.43Å; F153-H216 WeakPolarHBondContact CD2-NE2 3.49Å; F153-H216 AromaticContact CE2-CD2 3.24Å; F153-H216 WeakPolarHBondContact CE2-CD2 3.33Å; F153-H216 AromaticContact CE2-NE2 3.66Å; F153-H216 AromaticContact CG-NE2 3.9Å
154	R	96.6	Very high	95.3	Very high	153 Å²	153	73 Å²	73	58%	0.577	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-62.9	-15.9	178.6	78.6	-165.3	-38.4	-161.9	4.6	114.4	F151 S152 Q158	F151-R154 VanDerWaalsContact CE2-NH1 3.28Å; F151-R154 WeakPolarHBondContact O-CD 3.44Å; F151-R154 VanDerWaalsContact O-CG 3.3Å; F151-R154 WeakPolarHBondContact O-CG 3.21Å; F151-R154 PolarHBondContact O-N 2.82Å; S152-R154 PolarHBondContact O-N 3.43Å; R154-Q158 PolarHBondContact O-NE2 3.27Å
155	F	96.9	Very high	94.9	Very high	29 Å²	29	75.9 Å²	75.9	13%	0.127	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-90.8	-11.3	178.5	-56.1	-59.8	0	0	0	113	F151 S152 F153 K157 Q158 M160 P182 R223	F151-F155 HydrophobicContact CD1-CE2 4.08Å; F151-F155 AromaticContact CE1-CE2 3.76Å; F151-F155 HydrophobicContact CE1-CE2 3.76Å; F151-F155 AromaticContact CE1-CZ 3.79Å; F151-F155 HydrophobicContact CE1-CZ 3.79Å; F151-F155 HydrophobicContact CZ-CZ 4.43Å; S152-F155 WeakPolarHBondContact O-CB 3.36Å; S152-F155 WeakPolarHBondContact O-CD2 3.49Å; S152-F155 PolarHBondContact O-N 3.03Å; S152-F155 VanDerWaalsContact O-N 3.12Å; F153-F155 PolarHBondContact O-N 3.35Å; F155-K157 PolarHBondContact O-N 2.99Å; F155-K157 VanDerWaalsContact O-N 3.13Å; F155-Q158 PolarHBondContact O-N 2.79Å; F155-M160 HydrophobicContact CB-CE 3.94Å; F155-M160 HydrophobicContact CB-CG 4.01Å; F155-M160 HydrophobicContact CB-SD 4.02Å; F155-M160 HydrophobicContact CD1-CE 3.67Å; F155-M160 HydrophobicContact CG-CE 4.12Å; F155-M160 HydrophobicContact CG-SD 4.46Å; F155-M160 VanDerWaalsContact O-CG 3.27Å; F155-M160 WeakPolarHBondContact O-CG 3.31Å; F155-P182 HydrophobicContact CD1-CG 4.38Å; F155-P182 HydrophobicContact CD2-CB 3.98Å; F155-P182 HydrophobicContact CD2-CG 4.21Å; F155-P182 HydrophobicContact CE1-CB 4.32Å; F155-P182 HydrophobicContact CE1-CG 4.34Å; F155-P182 HydrophobicContact CE2-CB 3.57Å; F155-P182 HydrophobicContact CE2-CG 4.21Å; F155-P182 HydrophobicContact CG-CG 4.33Å; F155-P182 HydrophobicContact CZ-CB 3.76Å; F155-P182 HydrophobicContact CZ-CG 4.26Å; F155-R223 VanDerWaalsContact CB-NH1 3.35Å
156	E	92.1	Very high	94.5	Very high	13 Å²	13	75.2 Å²	75.2	6%	0.061	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-26.4	-179.5	-71.4	-70.7	133.4	0	0	113.4	F153 P187 K217 P221 R223	F153-E156 HydrophobicContact CD2-CB 4.49Å; F153-E156 HydrophobicContact CD2-CG 3.74Å; F153-E156 HydrophobicContact CE2-CB 4.5Å; F153-E156 HydrophobicContact CE2-CG 4.06Å; F153-E156 WeakPolarHBondContact O-CB 3.42Å; F153-E156 WeakPolarHBondContact O-CG 3.4Å; F153-E156 PolarHBondContact O-N 2.99Å; E156-P187 HydrophobicContact CG-CG 4.26Å; E156-K217 IonicContact OE2-NZ 2.76Å; E156-K217 PolarHBondContact OE2-NZ 3.14Å; E156-P221 WeakPolarHBondContact O-CG 3.41Å; E156-P221 WeakPolarHBondContact OE2-CD 3.35Å; E156-R223 IonicContact OE1-CZ 3.21Å; E156-R223 IonicContact OE1-NE 2.8Å; E156-R223 PolarHBondContact OE1-NE 3.4Å; E156-R223 IonicContact OE1-NH2 2.75Å; E156-R223 PolarHBondContact OE1-NH2 3.2Å
157	K	88.8	Confident	94.3	Very high	187 Å²	187	76.6 Å²	76.6	81%	0.813	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	8.4	177.9	-60.5	-172.8	-176.5	-178.4	0	113.5	F155	F155-K157 PolarHBondContact O-N 2.99Å; F155-K157 VanDerWaalsContact O-N 3.13Å
158	Q	95.4	Very high	94.2	Very high	87 Å²	87	80.1 Å²	80.1	41%	0.407	38%	0.378	S	S	.	.	S	Bend	trans	-103.5	172.3	-178.8	-62.2	-175.5	29.9	0	0	110.9	R154 F155 M160	R154-Q158 PolarHBondContact O-NE2 3.27Å; F155-Q158 PolarHBondContact O-N 2.79Å; Q158-M160 HydrophobicContact CB-CE 3.46Å; Q158-M160 VanDerWaalsContact CB-CE 3.46Å; Q158-M160 HydrophobicContact CB-CG 4.29Å; Q158-M160 HydrophobicContact CG-CE 4.37Å; Q158-M160 PolarHBondContact O-N 3.45Å
159	K	96.6	Very high	94.1	Very high	118 Å²	118	77.4 Å²	77.4	51%	0.513	37%	0.368	S	S	.	.	S	Bend	trans	-74.4	96.3	175.7	-67.5	-175.5	170	-155.9	0	110.1	L168 H169 A170 E264	K159-L168 HydrophobicContact CB-CB 4.01Å; K159-L168 WeakPolarHBondContact CD-O 3.2Å; K159-H169 WeakPolarHBondContact CA-O 3.38Å; K159-A170 HydrophobicContact CG-CB 4.43Å; K159-E264 VanDerWaalsContact CE-OE1 3.27Å; K159-E264 WeakPolarHBondContact CE-OE1 3.24Å; K159-E264 IonicContact NZ-OE1 3.88Å
160	M	95.8	Very high	94	Very high	22 Å²	22	75.2 Å²	75.2	11%	0.108	36%	0.363	C	S	.	.			trans	-124.9	-16.2	-174.5	-63.9	-63.2	146.1	0	0	113.4	F155 Q158 H169 P182	F155-M160 HydrophobicContact CB-CE 3.94Å; F155-M160 HydrophobicContact CB-CG 4.01Å; F155-M160 HydrophobicContact CB-SD 4.02Å; F155-M160 HydrophobicContact CD1-CE 3.67Å; F155-M160 HydrophobicContact CG-CE 4.12Å; F155-M160 HydrophobicContact CG-SD 4.46Å; F155-M160 VanDerWaalsContact O-CG 3.27Å; F155-M160 WeakPolarHBondContact O-CG 3.31Å; Q158-M160 HydrophobicContact CB-CE 3.46Å; Q158-M160 VanDerWaalsContact CB-CE 3.46Å; Q158-M160 HydrophobicContact CB-CG 4.29Å; Q158-M160 HydrophobicContact CG-CE 4.37Å; Q158-M160 PolarHBondContact O-N 3.45Å; M160-H169 PolarHBondContact N-O 3.02Å; M160-H169 VanDerWaalsContact N-O 3.12Å; M160-P182 HydrophobicContact SD-CG 4.07Å
161	C	94.1	Very high	94	Very high	5 Å²	5	75.9 Å²	75.9	3%	0.034	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	121.2	-172.5	-38.5	0	0	0	0	109.3	G163 L168 H169 N171 C174	C161-G163 PolarHBondContact O-N 3.39Å; C161-L168 CarbonylContact O-C 3.53Å; C161-L168 WeakPolarHBondContact O-CA 3.4Å; C161-H169 WeakPolarHBondContact CB-O 3.33Å; C161-H169 PolarHBondContact N-O 3.38Å; C161-H169 VanDerWaalsContact N-O 3.09Å; C161-H169 PolarHBondContact O-N 2.81Å; C161-H169 PolarHBondContact SG-O 2.93Å; C161-N171 HydrophobicContact CB-CB 3.98Å; C161-C174 VanDerWaalsContact CA-SG 3.59Å; C161-C174 HydrophobicContact CB-CB 3.86Å; C161-C174 WeakPolarHBondContact CB-SG 3.47Å; C161-C174 WeakPolarHBondContact SG-CB 3.27Å; C161-C174 CovalentContact SG-SG 2.02Å; C161-C174 PolarHBondContact SG-SG 2.93Å
162	K	92.5	Very high	94	Very high	137 Å²	137	70 Å²	70	60%	0.596	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.6	121.2	179.5	-165.2	174.4	-175.5	175.7	0	110.2	Q167 L168	K162-Q167 CarbonylContact C-O 3.53Å; K162-Q167 WeakPolarHBondContact CA-O 3.36Å; K162-L168 HydrophobicContact CB-CD2 4.38Å
163	G	87.1	Confident	94	Very high	19 Å²	19	70.9 Å²	70.9	20%	0.196	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-82	173.3	176.3	0	0	0	0	0	113.1	C161 D165 G166 Q167	C161-G163 PolarHBondContact O-N 3.39Å; G163-D165 PolarHBondContact O-N 2.78Å; G163-G166 PolarHBondContact O-N 2.96Å; G163-Q167 PolarHBondContact N-O 3.44Å
164	E	84.1	Confident	94	Very high	195 Å²	195	67 Å²	67	91%	0.911	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-24	174.3	-65.4	179.2	-180	0	0	112.7	G166	E164-G166 PolarHBondContact O-N 3.04Å
165	D	89.6	Confident	94.1	Very high	97 Å²	97	61.1 Å²	61.1	52%	0.519	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	0.3	174.1	62.2	1.2	0	0	0	113.5	G163 Q167 H169	G163-D165 PolarHBondContact O-N 2.78Å; D165-Q167 PolarHBondContact O-N 3.08Å; D165-Q167 WeakPolarHBondContact OD1-CB 3.29Å; D165-Q167 PolarHBondContact OD1-N 2.9Å; D165-H169 IonicContact OD1-NE2 3.96Å; D165-H169 PolarHBondContact OD1-NE2 2.91Å; D165-H169 IonicContact OD2-CE1 2.85Å; D165-H169 IonicContact OD2-NE2 2.87Å; D165-H169 PolarHBondContact OD2-NE2 2.75Å
166	G	88.8	Confident	94.1	Very high	40 Å²	40	60 Å²	60	41%	0.412	31%	0.308	S	S	.	.	S	Bend	trans	75.4	1.5	-176.9	0	0	0	0	0	114.8	G163 E164	G163-G166 PolarHBondContact O-N 2.96Å; E164-G166 PolarHBondContact O-N 3.04Å
167	Q	94.7	Very high	94.4	Very high	123 Å²	123	61.8 Å²	61.8	58%	0.575	32%	0.318	S	S	*	.			trans	-88.4	162.4	178.6	-60.3	-61.2	-38.7	0	0	111.7	K162 G163 D165 H169	K162-Q167 CarbonylContact C-O 3.53Å; K162-Q167 WeakPolarHBondContact CA-O 3.36Å; G163-Q167 PolarHBondContact N-O 3.44Å; D165-Q167 PolarHBondContact O-N 3.08Å; D165-Q167 WeakPolarHBondContact OD1-CB 3.29Å; D165-Q167 PolarHBondContact OD1-N 2.9Å; Q167-H169 PolarHBondContact O-CD2 2.74Å
168	L	96.8	Very high	94.8	Very high	91 Å²	91	53.8 Å²	53.8	48%	0.476	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	137	174.5	-63	177.7	0	0	0	111.2	K159 C161 K162	K159-L168 HydrophobicContact CB-CB 4.01Å; K159-L168 WeakPolarHBondContact CD-O 3.2Å; C161-L168 CarbonylContact O-C 3.53Å; C161-L168 WeakPolarHBondContact O-CA 3.4Å; K162-L168 HydrophobicContact CB-CD2 4.38Å
169	H	96.9	Very high	94.9	Very high	16 Å²	16	55 Å²	55	7%	0.074	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	157.2	-178.5	-61.6	-81.6	0	0	0	112.4	K159 M160 C161 D165 Q167 N171 E264	K159-H169 WeakPolarHBondContact CA-O 3.38Å; M160-H169 PolarHBondContact N-O 3.02Å; M160-H169 VanDerWaalsContact N-O 3.12Å; C161-H169 WeakPolarHBondContact CB-O 3.33Å; C161-H169 PolarHBondContact N-O 3.38Å; C161-H169 VanDerWaalsContact N-O 3.09Å; C161-H169 PolarHBondContact O-N 2.81Å; C161-H169 PolarHBondContact SG-O 2.93Å; D165-H169 IonicContact OD1-NE2 3.96Å; D165-H169 PolarHBondContact OD1-NE2 2.91Å; D165-H169 IonicContact OD2-CE1 2.85Å; D165-H169 IonicContact OD2-NE2 2.87Å; D165-H169 PolarHBondContact OD2-NE2 2.75Å; Q167-H169 PolarHBondContact O-CD2 2.74Å; H169-N171 VanDerWaalsContact C-N 3.32Å; H169-N171 VanDerWaalsContact CB-OD1 3.23Å; H169-N171 WeakPolarHBondContact CB-OD1 3.47Å; H169-N171 PolarHBondContact O-N 2.83Å; H169-E264 IonicContact CE1-OE2 3.18Å; H169-E264 IonicContact CG-OE2 3.24Å; H169-E264 IonicContact ND1-OE2 2.75Å; H169-E264 PolarHBondContact ND1-OE2 3.42Å
170	A	96.8	Very high	94.9	Very high	32 Å²	32	55.4 Å²	55.4	26%	0.264	30%	0.302	S	S	.	.			trans	-90.8	67.6	166.6	0	0	0	0	0	110	K159 E264	K159-A170 HydrophobicContact CG-CB 4.43Å; A170-E264 PolarHBondContact N-OE1 2.82Å; A170-E264 PolarHBondContact O-N 2.86Å; A170-E264 VanDerWaalsContact O-N 3.12Å
171	N	97.3	Very high	95	Very high	21 Å²	21	55.3 Å²	55.3	11%	0.112	30%	0.301	C	S	.	.			trans	-83.3	157	-178.5	-73.5	-10.5	0	0	0	112.3	C161 H169 L173 P221 D265	C161-N171 HydrophobicContact CB-CB 3.98Å; H169-N171 VanDerWaalsContact C-N 3.32Å; H169-N171 VanDerWaalsContact CB-OD1 3.23Å; H169-N171 WeakPolarHBondContact CB-OD1 3.47Å; H169-N171 PolarHBondContact O-N 2.83Å; N171-L173 WeakPolarHBondContact CB-O 3.18Å; N171-P221 VanDerWaalsContact O-CB 3.32Å; N171-P221 WeakPolarHBondContact O-CB 3.49Å; N171-D265 WeakPolarHBondContact CA-OD1 3.36Å; N171-D265 HydrophobicContact CB-CB 4.22Å; N171-D265 WeakPolarHBondContact CB-OD2 3.47Å; N171-D265 PolarHBondContact OD1-N 3.12Å
172	L	98	Very high	95.1	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.315	C	S	.	.	S	Bend	trans	-70.6	-47.9	165.4	177.1	67.8	0	0	0	110.3	I220 F222 V260 R263 D265 V266 F282 I286	L172-I220 HydrophobicContact CD1-CB 3.77Å; L172-I220 HydrophobicContact CD1-CG2 3.47Å; L172-I220 VanDerWaalsContact CD1-CG2 3.47Å; L172-F222 HydrophobicContact CD1-CD2 4.04Å; L172-F222 HydrophobicContact CD1-CE2 3.84Å; L172-F222 HydrophobicContact CD2-CE2 4.31Å; L172-F222 HydrophobicContact CG-CD2 3.97Å; L172-F222 HydrophobicContact CG-CE2 3.95Å; L172-F222 PolarHBondContact O-N 3.12Å; L172-V260 HydrophobicContact CD2-CG1 3.91Å; L172-R263 HydrophobicContact CB-CB 3.85Å; L172-R263 HydrophobicContact CB-CG 3.9Å; L172-D265 VanDerWaalsContact N-CG 3.3Å; L172-D265 PolarHBondContact N-OD1 2.91Å; L172-D265 PolarHBondContact N-OD2 3.37Å; L172-V266 HydrophobicContact CB-CG2 3.98Å; L172-V266 HydrophobicContact CD2-CG2 3.81Å; L172-F282 HydrophobicContact CD2-CE1 4.27Å; L172-I286 HydrophobicContact CD2-CD1 4.14Å; L172-I286 HydrophobicContact CD2-CG1 3.91Å
173	L	98.1	Very high	95.2	Very high	21 Å²	21	54.6 Å²	54.6	11%	0.11	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	109	179.6	-51.4	-178.7	0	0	0	108.6	N171 F222 D265 F282 R285 I286 H289	N171-L173 WeakPolarHBondContact CB-O 3.18Å; L173-F222 HydrophobicContact CD2-CD2 4.21Å; L173-D265 PolarHBondContact N-OD2 3.02Å; L173-F282 HydrophobicContact CD1-CD2 4.07Å; L173-F282 HydrophobicContact CD1-CE1 4.31Å; L173-F282 HydrophobicContact CD1-CE2 3.46Å; L173-F282 VanDerWaalsContact CD1-CE2 3.46Å; L173-F282 HydrophobicContact CD1-CZ 3.61Å; L173-F282 HydrophobicContact CG-CE2 4.21Å; L173-F282 HydrophobicContact CG-CZ 3.87Å; L173-R285 HydrophobicContact CD1-CB 3.61Å; L173-I286 HydrophobicContact CD2-CG1 4.05Å; L173-H289 HydrophobicContact CD2-CB 4.05Å
174	C	97.9	Very high	95.7	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.014	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	57.2	-165.5	-163.9	0	0	0	0	112.9	C161 V176 F222 R223 I224	C161-C174 VanDerWaalsContact CA-SG 3.59Å; C161-C174 HydrophobicContact CB-CB 3.86Å; C161-C174 WeakPolarHBondContact CB-SG 3.47Å; C161-C174 WeakPolarHBondContact SG-CB 3.27Å; C161-C174 CovalentContact SG-SG 2.02Å; C161-C174 PolarHBondContact SG-SG 2.93Å; C174-V176 PolarHBondContact O-N 2.96Å; C174-F222 CarbonylContact C-O 3.54Å; C174-F222 WeakPolarHBondContact CA-O 3.35Å; C174-F222 WeakPolarHBondContact CB-O 3.36Å; C174-F222 PolarHBondContact N-O 2.79Å; C174-F222 VanDerWaalsContact O-O 3.11Å; C174-R223 HydrophobicContact CB-CB 4.05Å; C174-R223 HydrophobicContact CB-CG 4.41Å; C174-R223 VanDerWaalsContact O-CA 3.22Å; C174-R223 WeakPolarHBondContact O-CA 3.06Å; C174-I224 PolarHBondContact O-N 2.96Å; C174-I224 VanDerWaalsContact O-N 3.16Å
175	A	97.6	Very high	96.4	Very high	29 Å²	29	47.4 Å²	47.4	24%	0.24	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	127.9	167.5	0	0	0	0	0	110.7	I224 Q226 L229	A175-I224 WeakPolarHBondContact CA-O 3.37Å; A175-Q226 HydrophobicContact CB-CB 3.92Å; A175-L229 HydrophobicContact CB-CD1 3.41Å; A175-L229 VanDerWaalsContact CB-CD1 3.41Å; A175-L229 HydrophobicContact CB-CG 4.03Å
176	V	98	Very high	96.9	Very high	6 Å²	6	42.9 Å²	42.9	4%	0.036	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	149.7	-174.4	-64.7	0	0	0	0	112.3	C174 V178 Q181 L186 R223 I224 Q226	C174-V176 PolarHBondContact O-N 2.96Å; V176-V178 PolarHBondContact O-N 2.94Å; V176-Q181 HydrophobicContact CB-CG 4.07Å; V176-Q181 HydrophobicContact CG2-CG 3.77Å; V176-L186 HydrophobicContact CG2-CD1 4.48Å; V176-L186 HydrophobicContact CG2-CD2 4.28Å; V176-R223 HydrophobicContact CG1-CG 4.28Å; V176-R223 HydrophobicContact CG2-CG 4.15Å; V176-I224 WeakPolarHBondContact CG2-O 3.31Å; V176-I224 PolarHBondContact N-O 3.16Å; V176-Q226 PolarHBondContact O-N 3.42Å
177	N	97.3	Very high	97.3	Very high	49 Å²	49	41.1 Å²	41.1	26%	0.262	26%	0.255	S	S	.	.			trans	-74.7	111.8	159.3	179.7	-4.6	0	0	0	108.5	T179 E180	N177-T179 PolarHBondContact ND2-OG1 2.78Å; N177-T179 PolarHBondContact O-N 2.89Å; N177-T179 PolarHBondContact OD1-N 2.88Å; N177-T179 PolarHBondContact OD1-OG1 3.08Å; N177-E180 HydrophobicContact CB-CB 4.38Å; N177-E180 HydrophobicContact CB-CG 4.23Å; N177-E180 PolarHBondContact ND2-OE1 3.43Å; N177-E180 PolarHBondContact O-N 2.83Å
178	V	97.9	Very high	97.5	Very high	20 Å²	20	35.3 Å²	35.3	12%	0.121	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-58.6	-35.7	-175.1	178.4	0	0	0	0	112	V176 E180 Q181 G184 L186 L189 P225	V176-V178 PolarHBondContact O-N 2.94Å; V178-E180 PolarHBondContact O-N 3.06Å; V178-Q181 WeakPolarHBondContact O-CB 3.27Å; V178-Q181 PolarHBondContact O-N 2.91Å; V178-G184 WeakPolarHBondContact CG1-O 3.27Å; V178-G184 CarbonylContact O-C 3.52Å; V178-G184 VanDerWaalsContact O-CA 3.32Å; V178-G184 WeakPolarHBondContact O-CA 3.11Å; V178-L186 HydrophobicContact CG2-CD1 4.04Å; V178-L186 HydrophobicContact CG2-CG 4.39Å; V178-L189 HydrophobicContact CG1-CD1 3.9Å; V178-P225 HydrophobicContact CG2-CB 3.63Å; V178-P225 HydrophobicContact CG2-CG 3.72Å
179	T	97.2	Very high	97.6	Very high	113 Å²	113	32.6 Å²	32.6	69%	0.693	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-66	-21.5	-180	64.7	0	0	0	0	113.5	N177	N177-T179 PolarHBondContact ND2-OG1 2.78Å; N177-T179 PolarHBondContact O-N 2.89Å; N177-T179 PolarHBondContact OD1-N 2.88Å; N177-T179 PolarHBondContact OD1-OG1 3.08Å
180	E	96.1	Very high	97.7	Very high	125 Å²	125	33 Å²	33	58%	0.584	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-92	-8	176.9	-66.8	174.9	-150.9	0	0	112.6	N177 V178	N177-E180 HydrophobicContact CB-CB 4.38Å; N177-E180 HydrophobicContact CB-CG 4.23Å; N177-E180 PolarHBondContact ND2-OE1 3.43Å; N177-E180 PolarHBondContact O-N 2.83Å; V178-E180 PolarHBondContact O-N 3.06Å
181	Q	97.4	Very high	97.8	Very high	20 Å²	20	31.5 Å²	31.5	9%	0.093	20%	0.204	C	C	.	.	S	Bend	trans	-77.8	154.5	177.8	-64.1	-61.7	-70.7	0	0	111.3	V176 V178 G183 G184 L186	V176-Q181 HydrophobicContact CB-CG 4.07Å; V176-Q181 HydrophobicContact CG2-CG 3.77Å; V178-Q181 WeakPolarHBondContact O-CB 3.27Å; V178-Q181 PolarHBondContact O-N 2.91Å; Q181-G183 PolarHBondContact O-N 2.86Å; Q181-G183 VanDerWaalsContact O-N 3.13Å; Q181-G184 WeakPolarHBondContact O-CA 3.49Å; Q181-G184 PolarHBondContact O-N 3.05Å; Q181-L186 HydrophobicContact CG-CD2 4.36Å
182	P	96.3	Very high	97.9	Very high	51 Å²	51	30.5 Å²	30.5	33%	0.331	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-53.8	121	175	-26.9	35.3	0	0	0	112.2	F155 M160 G184	F155-P182 HydrophobicContact CD1-CG 4.38Å; F155-P182 HydrophobicContact CD2-CB 3.98Å; F155-P182 HydrophobicContact CD2-CG 4.21Å; F155-P182 HydrophobicContact CE1-CB 4.32Å; F155-P182 HydrophobicContact CE1-CG 4.34Å; F155-P182 HydrophobicContact CE2-CB 3.57Å; F155-P182 HydrophobicContact CE2-CG 4.21Å; F155-P182 HydrophobicContact CG-CG 4.33Å; F155-P182 HydrophobicContact CZ-CB 3.76Å; F155-P182 HydrophobicContact CZ-CG 4.26Å; M160-P182 HydrophobicContact SD-CG 4.07Å; P182-G184 VanDerWaalsContact C-N 3.27Å; P182-G184 PolarHBondContact O-N 3.45Å
183	G	96.1	Very high	97.9	Very high	77 Å²	77	34.2 Å²	34.2	79%	0.794	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	78.3	3.5	-176.4	0	0	0	0	0	115	Q181 T185	Q181-G183 PolarHBondContact O-N 2.86Å; Q181-G183 VanDerWaalsContact O-N 3.13Å; G183-T185 VanDerWaalsContact C-N 3.28Å; G183-T185 PolarHBondContact O-N 3.13Å
184	G	97.9	Very high	98	Very high	41 Å²	41	34.8 Å²	34.8	42%	0.423	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	63.3	32.7	-179.8	0	0	0	0	0	113.1	V178 Q181 P182	V178-G184 WeakPolarHBondContact CG1-O 3.27Å; V178-G184 CarbonylContact O-C 3.52Å; V178-G184 VanDerWaalsContact O-CA 3.32Å; V178-G184 WeakPolarHBondContact O-CA 3.11Å; Q181-G184 WeakPolarHBondContact O-CA 3.49Å; Q181-G184 PolarHBondContact O-N 3.05Å; P182-G184 VanDerWaalsContact C-N 3.27Å; P182-G184 PolarHBondContact O-N 3.45Å
185	T	98.5	Very high	98	Very high	22 Å²	22	34.7 Å²	34.7	14%	0.135	22%	0.22	C	C	.	.			trans	-152	175.3	-168.9	-166.9	0	0	0	0	112.8	G183 E190	G183-T185 VanDerWaalsContact C-N 3.28Å; G183-T185 PolarHBondContact O-N 3.13Å; T185-E190 HydrophobicContact CG2-CG 3.83Å; T185-E190 WeakPolarHBondContact CG2-OE1 3.44Å
186	L	98.8	Very high	98.1	Very high	1 Å²	1	34 Å²	34	1%	0.005	21%	0.213	C	C	.	.			trans	-137	161.7	176.8	-67.8	178.8	0	0	0	110.2	V176 V178 Q181 D188 L189 E190 R223 P225	V176-L186 HydrophobicContact CG2-CD1 4.48Å; V176-L186 HydrophobicContact CG2-CD2 4.28Å; V178-L186 HydrophobicContact CG2-CD1 4.04Å; V178-L186 HydrophobicContact CG2-CG 4.39Å; Q181-L186 HydrophobicContact CG-CD2 4.36Å; L186-D188 VanDerWaalsContact C-N 3.31Å; L186-D188 PolarHBondContact O-N 2.65Å; L186-L189 HydrophobicContact CB-CD1 4.17Å; L186-L189 HydrophobicContact CB-CG 4.43Å; L186-L189 WeakPolarHBondContact O-CB 3.41Å; L186-L189 PolarHBondContact O-N 2.79Å; L186-L189 VanDerWaalsContact O-N 3.1Å; L186-E190 PolarHBondContact O-N 2.79Å; L186-E190 VanDerWaalsContact O-N 3.09Å; L186-R223 HydrophobicContact CD2-CG 4.05Å; L186-P225 HydrophobicContact CD1-CG 3.88Å
187	P	98.8	Very high	98.1	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.019	23%	0.234	C	C	.	.	H	α-helix	trans	-58.8	-38.8	-171	-27.3	35.9	0	0	0	114.4	P150 S152 F153 E156 S191	P150-P187 HydrophobicContact CB-CB 4.15Å; P150-P187 WeakPolarHBondContact CB-O 3.37Å; P150-P187 HydrophobicContact CG-CB 3.78Å; S152-P187 WeakPolarHBondContact OG-CA 3.22Å; S152-P187 WeakPolarHBondContact OG-CD 3.46Å; S152-P187 VanDerWaalsContact OG-N 3.07Å; F153-P187 HydrophobicContact CB-CB 4.29Å; F153-P187 HydrophobicContact CB-CG 4.19Å; F153-P187 HydrophobicContact CD2-CG 4.49Å; E156-P187 HydrophobicContact CG-CG 4.26Å; P187-S191 WeakPolarHBondContact O-CB 3.33Å; P187-S191 PolarHBondContact O-N 3.01Å; P187-S191 PolarHBondContact O-OG 2.84Å
188	D	98.9	Very high	98.2	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-81.8	-22.7	-177.8	-64.7	-24.1	0	0	0	112.3	L186 T192 F215 H216 K217 Y296 Q300	L186-D188 VanDerWaalsContact C-N 3.31Å; L186-D188 PolarHBondContact O-N 2.65Å; D188-T192 WeakPolarHBondContact O-CB 3.35Å; D188-T192 PolarHBondContact O-N 3.08Å; D188-T192 PolarHBondContact O-OG1 3.17Å; D188-F215 HydrophobicContact CB-CD1 3.8Å; D188-F215 HydrophobicContact CB-CE1 4.39Å; D188-F215 WeakPolarHBondContact OD1-CA 3.42Å; D188-H216 IonicContact OD1-CG 3.76Å; D188-H216 PolarHBondContact OD1-N 2.94Å; D188-H216 IonicContact OD1-ND1 3.18Å; D188-H216 PolarHBondContact OD1-ND1 3.06Å; D188-H216 PolarHBondContact OD2-N 3.16Å; D188-K217 WeakPolarHBondContact OD2-CB 3.29Å; D188-K217 WeakPolarHBondContact OD2-CG 3.47Å; D188-K217 PolarHBondContact OD2-N 3.36Å; D188-Y296 HydrophobicContact CB-CE1 4.05Å; D188-Y296 WeakPolarHBondContact CB-OH 3.37Å; D188-Q300 HydrophobicContact CB-CG 4.29Å
189	L	98.8	Very high	98.1	Very high	35 Å²	35	37.5 Å²	37.5	18%	0.183	22%	0.221	C	C	.	.	H	α-helix	trans	-65.5	-49.9	167.1	-70	170.8	0	0	0	110.1	V178 L186 S191 T192 D193 Y296	V178-L189 HydrophobicContact CG1-CD1 3.9Å; L186-L189 HydrophobicContact CB-CD1 4.17Å; L186-L189 HydrophobicContact CB-CG 4.43Å; L186-L189 WeakPolarHBondContact O-CB 3.41Å; L186-L189 PolarHBondContact O-N 2.79Å; L186-L189 VanDerWaalsContact O-N 3.1Å; L189-S191 PolarHBondContact O-N 3.06Å; L189-T192 WeakPolarHBondContact O-CB 3.49Å; L189-T192 PolarHBondContact O-N 3.08Å; L189-D193 VanDerWaalsContact O-CG 3.26Å; L189-D193 PolarHBondContact O-N 2.59Å; L189-Y296 HydrophobicContact CD2-CE2 4.21Å; L189-Y296 HydrophobicContact CG-CE2 4.23Å; L189-Y296 PolarHBondContact N-OH 2.81Å
190	E	98.9	Very high	98.1	Very high	24 Å²	24	38.2 Å²	38.2	11%	0.112	21%	0.214	C	C	.	.	H	α-helix	trans	-60	-44.5	176.7	-73.4	179.1	-140.4	0	0	112.3	P150 F151 S152 T185 L186 T192 D193 E194	P150-E190 VanDerWaalsContact C-OE2 3.3Å; P150-E190 VanDerWaalsContact CA-OE2 3.25Å; P150-E190 WeakPolarHBondContact CA-OE2 3.42Å; P150-E190 HydrophobicContact CB-CB 3.71Å; P150-E190 HydrophobicContact CB-CG 4.47Å; P150-E190 WeakPolarHBondContact CB-OE2 3.44Å; F151-E190 PolarHBondContact N-OE2 3.13Å; S152-E190 WeakPolarHBondContact CB-OE1 3.32Å; S152-E190 PolarHBondContact N-OE1 2.95Å; S152-E190 VanDerWaalsContact N-OE1 3.13Å; S152-E190 PolarHBondContact OG-OE1 3.1Å; T185-E190 HydrophobicContact CG2-CG 3.83Å; T185-E190 WeakPolarHBondContact CG2-OE1 3.44Å; L186-E190 PolarHBondContact O-N 2.79Å; L186-E190 VanDerWaalsContact O-N 3.09Å; E190-T192 VanDerWaalsContact C-N 3.3Å; E190-T192 PolarHBondContact O-N 3.12Å; E190-D193 PolarHBondContact O-N 2.87Å; E190-E194 WeakPolarHBondContact O-CB 3.45Å; E190-E194 PolarHBondContact O-N 3.33Å
191	S	98.9	Very high	98.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.9	-40.4	177.7	-58.9	0	0	0	0	111.3	V123 P187 L189 A195	V123-S191 VanDerWaalsContact CG1-O 3.29Å; V123-S191 WeakPolarHBondContact CG1-O 3.04Å; P187-S191 WeakPolarHBondContact O-CB 3.33Å; P187-S191 PolarHBondContact O-N 3.01Å; P187-S191 PolarHBondContact O-OG 2.84Å; L189-S191 PolarHBondContact O-N 3.06Å; S191-A195 VanDerWaalsContact O-CB 3.31Å; S191-A195 WeakPolarHBondContact O-CB 3.41Å; S191-A195 PolarHBondContact O-N 3.04Å
192	T	98.9	Very high	97.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-64.6	-47.2	175.8	-56.7	0	0	0	0	111.4	D188 L189 E190 E194 A195 V196 F215 Q300 R303 L304	D188-T192 WeakPolarHBondContact O-CB 3.35Å; D188-T192 PolarHBondContact O-N 3.08Å; D188-T192 PolarHBondContact O-OG1 3.17Å; L189-T192 WeakPolarHBondContact O-CB 3.49Å; L189-T192 PolarHBondContact O-N 3.08Å; E190-T192 VanDerWaalsContact C-N 3.3Å; E190-T192 PolarHBondContact O-N 3.12Å; T192-E194 VanDerWaalsContact C-N 3.32Å; T192-E194 PolarHBondContact O-N 3.36Å; T192-A195 PolarHBondContact O-N 2.8Å; T192-V196 HydrophobicContact CG2-CG2 4.42Å; T192-V196 WeakPolarHBondContact O-CB 3.04Å; T192-V196 VanDerWaalsContact O-CG2 3.3Å; T192-V196 WeakPolarHBondContact O-CG2 3.48Å; T192-V196 PolarHBondContact O-N 2.74Å; T192-F215 WeakPolarHBondContact OG1-CE1 3.41Å; T192-Q300 VanDerWaalsContact OG1-CB 3.32Å; T192-Q300 WeakPolarHBondContact OG1-CB 3.43Å; T192-Q300 PolarHBondContact OG1-OE1 3.33Å; T192-R303 HydrophobicContact CG2-CB 3.69Å; T192-L304 HydrophobicContact CG2-CD2 3.92Å; T192-L304 HydrophobicContact CG2-CG 4.36Å
193	D	98.9	Very high	97.5	Very high	79 Å²	79	35.3 Å²	35.3	42%	0.422	20%	0.203	S	C	.	.	H	α-helix	trans	-61.4	-42	-179.1	-69.2	-12	0	0	0	111.6	L189 E190 V196 R197 R303	L189-D193 VanDerWaalsContact O-CG 3.26Å; L189-D193 PolarHBondContact O-N 2.59Å; E190-D193 PolarHBondContact O-N 2.87Å; D193-V196 PolarHBondContact O-N 3.28Å; D193-R197 WeakPolarHBondContact O-CB 3.5Å; D193-R197 PolarHBondContact O-N 2.73Å; D193-R303 IonicContact OD1-CZ 3.36Å; D193-R303 IonicContact OD1-NH1 3.16Å; D193-R303 PolarHBondContact OD1-NH1 3.26Å; D193-R303 VanDerWaalsContact OD1-NH1 3.16Å; D193-R303 IonicContact OD1-NH2 2.67Å; D193-R303 PolarHBondContact OD1-NH2 3.32Å
194	E	98.9	Very high	96.9	Very high	33 Å²	33	37.3 Å²	37.3	15%	0.154	21%	0.205	C	C	.	.	H	α-helix	trans	-67.4	-44.4	176.4	177.8	63	-177.2	0	0	112.1	V123 Y148 E190 T192 V196 R197 L198	V123-E194 HydrophobicContact CG1-CB 4.17Å; V123-E194 HydrophobicContact CG1-CG 4.22Å; V123-E194 HydrophobicContact CG2-CG 4.12Å; Y148-E194 HydrophobicContact CD1-CB 3.99Å; Y148-E194 HydrophobicContact CD1-CG 3.79Å; Y148-E194 HydrophobicContact CD2-CG 3.87Å; Y148-E194 HydrophobicContact CE1-CB 3.88Å; Y148-E194 HydrophobicContact CE1-CG 4.15Å; Y148-E194 HydrophobicContact CE2-CB 4.42Å; Y148-E194 HydrophobicContact CE2-CG 4.23Å; Y148-E194 HydrophobicContact CG-CB 4.3Å; Y148-E194 HydrophobicContact CG-CG 3.63Å; E190-E194 WeakPolarHBondContact O-CB 3.45Å; E190-E194 PolarHBondContact O-N 3.33Å; T192-E194 VanDerWaalsContact C-N 3.32Å; T192-E194 PolarHBondContact O-N 3.36Å; E194-V196 VanDerWaalsContact C-N 3.33Å; E194-V196 PolarHBondContact O-N 3.41Å; E194-R197 WeakPolarHBondContact O-CB 3.43Å; E194-R197 PolarHBondContact O-N 2.8Å; E194-R197 VanDerWaalsContact O-N 3.15Å; E194-R197 IonicContact OE1-CZ 3.52Å; E194-R197 IonicContact OE1-NE 3.56Å; E194-R197 IonicContact OE1-NH2 2.67Å; E194-R197 PolarHBondContact OE1-NH2 3.48Å; E194-R197 IonicContact OE2-CZ 3.52Å; E194-R197 IonicContact OE2-NE 2.76Å; E194-R197 PolarHBondContact OE2-NE 2.83Å; E194-R197 IonicContact OE2-NH2 3.44Å; E194-R197 PolarHBondContact OE2-NH2 2.73Å; E194-L198 HydrophobicContact CG-CD1 4.33Å; E194-L198 WeakPolarHBondContact O-CG 3.38Å; E194-L198 PolarHBondContact O-N 2.7Å
195	A	98.9	Very high	96.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.9	-41.1	176.6	0	0	0	0	0	111.8	S191 T192 R197 L198 L199 L211 V213 L304	S191-A195 VanDerWaalsContact O-CB 3.31Å; S191-A195 WeakPolarHBondContact O-CB 3.41Å; S191-A195 PolarHBondContact O-N 3.04Å; T192-A195 PolarHBondContact O-N 2.8Å; A195-R197 VanDerWaalsContact C-N 3.34Å; A195-R197 PolarHBondContact O-N 2.91Å; A195-L198 PolarHBondContact O-N 2.82Å; A195-L199 WeakPolarHBondContact O-CG 3.4Å; A195-L199 PolarHBondContact O-N 2.97Å; A195-L211 HydrophobicContact CB-CD2 4.34Å; A195-V213 HydrophobicContact CB-CG1 4.38Å; A195-V213 HydrophobicContact CB-CG2 3.74Å; A195-L304 HydrophobicContact CB-CD2 3.61Å
196	V	98.8	Very high	95.2	Very high	15 Å²	15	42 Å²	42	9%	0.091	24%	0.239	C	C	.	.	H	α-helix	trans	-59.9	-43.8	172.6	164.8	0	0	0	0	111.2	T192 D193 E194 L198 L199 K200 L304 T307	T192-V196 HydrophobicContact CG2-CG2 4.42Å; T192-V196 WeakPolarHBondContact O-CB 3.04Å; T192-V196 VanDerWaalsContact O-CG2 3.3Å; T192-V196 WeakPolarHBondContact O-CG2 3.48Å; T192-V196 PolarHBondContact O-N 2.74Å; D193-V196 PolarHBondContact O-N 3.28Å; E194-V196 VanDerWaalsContact C-N 3.33Å; E194-V196 PolarHBondContact O-N 3.41Å; V196-L198 VanDerWaalsContact C-N 3.34Å; V196-L198 PolarHBondContact O-N 2.97Å; V196-L199 PolarHBondContact O-N 3.42Å; V196-K200 HydrophobicContact CG1-CD 4.09Å; V196-K200 WeakPolarHBondContact O-CB 3.44Å; V196-K200 VanDerWaalsContact O-CG 3.31Å; V196-K200 WeakPolarHBondContact O-CG 3.41Å; V196-K200 PolarHBondContact O-N 3.31Å; V196-L304 HydrophobicContact CG2-CD2 4.07Å; V196-T307 HydrophobicContact CB-CG2 4.42Å; V196-T307 HydrophobicContact CG1-CG2 4Å; V196-T307 HydrophobicContact CG2-CG2 4.19Å; V196-T307 WeakPolarHBondContact CG2-OG1 3.5Å
197	R	98.6	Very high	94.6	Very high	129 Å²	129	44.4 Å²	44.4	49%	0.487	26%	0.259	S	S	.	.	H	α-helix	trans	-61.5	-42.9	176.1	-169	-165.8	68.2	73.2	0.4	111.4	D193 E194 A195 K200 S201	D193-R197 WeakPolarHBondContact O-CB 3.5Å; D193-R197 PolarHBondContact O-N 2.73Å; E194-R197 WeakPolarHBondContact O-CB 3.43Å; E194-R197 PolarHBondContact O-N 2.8Å; E194-R197 VanDerWaalsContact O-N 3.15Å; E194-R197 IonicContact OE1-CZ 3.52Å; E194-R197 IonicContact OE1-NE 3.56Å; E194-R197 IonicContact OE1-NH2 2.67Å; E194-R197 PolarHBondContact OE1-NH2 3.48Å; E194-R197 IonicContact OE2-CZ 3.52Å; E194-R197 IonicContact OE2-NE 2.76Å; E194-R197 PolarHBondContact OE2-NE 2.83Å; E194-R197 IonicContact OE2-NH2 3.44Å; E194-R197 PolarHBondContact OE2-NH2 2.73Å; A195-R197 VanDerWaalsContact C-N 3.34Å; A195-R197 PolarHBondContact O-N 2.91Å; R197-K200 PolarHBondContact O-N 2.7Å; R197-S201 PolarHBondContact O-N 2.6Å
198	L	98.2	Very high	94.5	Very high	18 Å²	18	45.3 Å²	45.3	9%	0.094	27%	0.265	C	S	.	.	H	α-helix	trans	-65.4	-46.1	178	-71.4	177.4	0	0	0	112	M121 V123 E194 A195 V196 K200 S201 R202 L211	M121-L198 HydrophobicContact CB-CD1 4.24Å; M121-L198 HydrophobicContact SD-CB 4.16Å; M121-L198 HydrophobicContact SD-CD1 4.01Å; M121-L198 HydrophobicContact SD-CD2 3.8Å; M121-L198 HydrophobicContact SD-CG 4.21Å; V123-L198 HydrophobicContact CG2-CD1 3.56Å; E194-L198 HydrophobicContact CG-CD1 4.33Å; E194-L198 WeakPolarHBondContact O-CG 3.38Å; E194-L198 PolarHBondContact O-N 2.7Å; A195-L198 PolarHBondContact O-N 2.82Å; V196-L198 VanDerWaalsContact C-N 3.34Å; V196-L198 PolarHBondContact O-N 2.97Å; L198-K200 PolarHBondContact O-N 3.22Å; L198-S201 WeakPolarHBondContact O-CB 3.42Å; L198-S201 PolarHBondContact O-N 2.7Å; L198-S201 VanDerWaalsContact O-N 3.08Å; L198-S201 PolarHBondContact O-OG 2.71Å; L198-R202 WeakPolarHBondContact O-CG 3.32Å; L198-R202 PolarHBondContact O-N 2.71Å; L198-R202 VanDerWaalsContact O-N 3.1Å; L198-L211 HydrophobicContact CD1-CD1 3.95Å
199	L	97.6	Very high	94.4	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-56.1	-49.2	174.8	-73.6	171.9	0	0	0	111.3	A195 V196 S201 R202 A203 F209 L211 T307 L308 L311	A195-L199 WeakPolarHBondContact O-CG 3.4Å; A195-L199 PolarHBondContact O-N 2.97Å; V196-L199 PolarHBondContact O-N 3.42Å; L199-S201 VanDerWaalsContact C-N 3.26Å; L199-S201 PolarHBondContact O-N 2.86Å; L199-R202 PolarHBondContact O-N 2.54Å; L199-R202 VanDerWaalsContact O-N 3.09Å; L199-A203 PolarHBondContact O-N 3.28Å; L199-A203 VanDerWaalsContact O-N 3.08Å; L199-F209 HydrophobicContact CD2-CE1 4.43Å; L199-F209 HydrophobicContact CD2-CE2 3.84Å; L199-F209 HydrophobicContact CD2-CZ 3.62Å; L199-L211 HydrophobicContact CD2-CD2 3.84Å; L199-L211 HydrophobicContact CG-CD2 3.8Å; L199-T307 HydrophobicContact CB-CG2 4.43Å; L199-T307 HydrophobicContact CD1-CG2 4.27Å; L199-L308 HydrophobicContact CD2-CD1 4.1Å; L199-L311 HydrophobicContact CB-CD1 3.92Å
200	K	97	Very high	94.4	Very high	128 Å²	128	43.8 Å²	43.8	56%	0.557	26%	0.257	S	S	*	.	H	α-helix	trans	-57.5	-39.3	175.4	-73.9	173.4	178.1	176.3	0	112.2	V196 R197 L198 R202 L311	V196-K200 HydrophobicContact CG1-CD 4.09Å; V196-K200 WeakPolarHBondContact O-CB 3.44Å; V196-K200 VanDerWaalsContact O-CG 3.31Å; V196-K200 WeakPolarHBondContact O-CG 3.41Å; V196-K200 PolarHBondContact O-N 3.31Å; R197-K200 PolarHBondContact O-N 2.7Å; L198-K200 PolarHBondContact O-N 3.22Å; K200-R202 VanDerWaalsContact C-N 3.28Å; K200-R202 PolarHBondContact O-N 2.63Å; K200-L311 HydrophobicContact CG-CD1 4.05Å; K200-L311 HydrophobicContact CG-CD2 4.14Å
201	S	95.1	Very high	94.4	Very high	39 Å²	39	42.6 Å²	42.6	27%	0.273	25%	0.251	S	S	.	.	H	α-helix	trans	-69.7	-23.2	179.4	82.1	0	0	0	0	114	R197 L198 L199	R197-S201 PolarHBondContact O-N 2.6Å; L198-S201 WeakPolarHBondContact O-CB 3.42Å; L198-S201 PolarHBondContact O-N 2.7Å; L198-S201 VanDerWaalsContact O-N 3.08Å; L198-S201 PolarHBondContact O-OG 2.71Å; L199-S201 VanDerWaalsContact C-N 3.26Å; L199-S201 PolarHBondContact O-N 2.86Å
202	R	92.9	Very high	94.4	Very high	64 Å²	64	42.6 Å²	42.6	24%	0.242	25%	0.251	C	S	.	.	H	α-helix	trans	-100	-13.5	-177.7	-65	-56.7	112.4	179.6	5.2	113.6	M121 L198 L199 K200 S204 D205 F209	M121-R202 HydrophobicContact CE-CG 3.88Å; M121-R202 HydrophobicContact SD-CG 4.48Å; L198-R202 WeakPolarHBondContact O-CG 3.32Å; L198-R202 PolarHBondContact O-N 2.71Å; L198-R202 VanDerWaalsContact O-N 3.1Å; L199-R202 PolarHBondContact O-N 2.54Å; L199-R202 VanDerWaalsContact O-N 3.09Å; K200-R202 VanDerWaalsContact C-N 3.28Å; K200-R202 PolarHBondContact O-N 2.63Å; R202-S204 PolarHBondContact O-N 2.9Å; R202-D205 VanDerWaalsContact CD-OD2 3.28Å; R202-D205 WeakPolarHBondContact CD-OD2 3.34Å; R202-D205 IonicContact CZ-OD2 2.89Å; R202-D205 IonicContact NE-OD2 3.11Å; R202-D205 PolarHBondContact NE-OD2 2.96Å; R202-D205 VanDerWaalsContact NE-OD2 3.11Å; R202-D205 IonicContact NH1-OD2 2.62Å; R202-D205 PolarHBondContact NH1-OD2 3.06Å; R202-D205 IonicContact NH2-OD2 3.67Å; R202-D205 PolarHBondContact O-N 3.11Å; R202-D205 VanDerWaalsContact O-N 3.13Å; R202-F209 HydrophobicContact CB-CD1 3.91Å; R202-F209 HydrophobicContact CB-CE1 4.48Å; R202-F209 HydrophobicContact CG-CB 4.41Å; R202-F209 HydrophobicContact CG-CD1 4.45Å
203	A	89.1	Confident	94.4	Very high	32 Å²	32	42.6 Å²	42.6	26%	0.264	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-26.4	-172	0	0	0	0	0	114.6	L199 L311 L313	L199-A203 PolarHBondContact O-N 3.28Å; L199-A203 VanDerWaalsContact O-N 3.08Å; A203-L311 HydrophobicContact CB-CB 4.36Å; A203-L311 HydrophobicContact CB-CD1 4.31Å; A203-L311 HydrophobicContact CB-CD2 4.1Å; A203-L311 HydrophobicContact CB-CG 4.5Å; A203-L313 HydrophobicContact CB-CD1 4.15Å
204	S	83.8	Confident	94.4	Very high	119 Å²	119	38.9 Å²	38.9	83%	0.832	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117	8.3	-178.5	-53.7	0	0	0	0	114.2	R202 G206	R202-S204 PolarHBondContact O-N 2.9Å; S204-G206 PolarHBondContact O-N 3.31Å
205	D	80.5	Confident	94.4	Very high	78 Å²	78	37.3 Å²	37.3	42%	0.417	22%	0.224	S	C	.	.	S	Bend	trans	-80.7	-15.1	-171.4	-78.1	-3.2	0	0	0	113.9	R202 A207	R202-D205 VanDerWaalsContact CD-OD2 3.28Å; R202-D205 WeakPolarHBondContact CD-OD2 3.34Å; R202-D205 IonicContact CZ-OD2 2.89Å; R202-D205 IonicContact NE-OD2 3.11Å; R202-D205 PolarHBondContact NE-OD2 2.96Å; R202-D205 VanDerWaalsContact NE-OD2 3.11Å; R202-D205 IonicContact NH1-OD2 2.62Å; R202-D205 PolarHBondContact NH1-OD2 3.06Å; R202-D205 IonicContact NH2-OD2 3.67Å; R202-D205 PolarHBondContact O-N 3.11Å; R202-D205 VanDerWaalsContact O-N 3.13Å; D205-A207 PolarHBondContact O-N 3.37Å
206	G	79.2	Confident	94.4	Very high	83 Å²	83	37.6 Å²	37.6	86%	0.856	23%	0.225	S	C	*	.			trans	68.4	-15.7	-179.1	0	0	0	0	0	115.4	S204	S204-G206 PolarHBondContact O-N 3.31Å
207	A	87.1	Confident	94.4	Very high	52 Å²	52	37.1 Å²	37.1	43%	0.43	22%	0.222	S	C	.	.	S	Bend	trans	-87.6	138.2	172.8	0	0	0	0	0	111	D205	D205-A207 PolarHBondContact O-N 3.37Å
208	P	95.5	Very high	94.4	Very high	21 Å²	21	31 Å²	31	14%	0.136	20%	0.199	C	C	.	.			trans	-71.7	146.6	-178.7	32.1	-36.8	0	0	0	111.4	R26 N28 Y118 Y119	R26-P208 HydrophobicContact CB-CB 4.31Å; R26-P208 HydrophobicContact CB-CG 4.16Å; N28-P208 VanDerWaalsContact OD1-CA 3.25Å; N28-P208 WeakPolarHBondContact OD1-CA 3.45Å; Y118-P208 WeakPolarHBondContact CA-O 3.48Å; Y118-P208 HydrophobicContact CD1-CB 3.84Å; Y118-P208 HydrophobicContact CD1-CG 4.15Å; Y118-P208 HydrophobicContact CD2-CG 4.14Å; Y118-P208 HydrophobicContact CE1-CB 3.61Å; Y118-P208 HydrophobicContact CE1-CG 4.14Å; Y118-P208 HydrophobicContact CE2-CB 4.4Å; Y118-P208 HydrophobicContact CE2-CG 4.1Å; Y118-P208 HydrophobicContact CG-CB 4.35Å; Y118-P208 HydrophobicContact CG-CG 4.16Å; Y119-P208 PolarHBondContact N-O 2.82Å
209	F	97.9	Very high	94.5	Very high	3 Å²	3	31.8 Å²	31.8	1%	0.013	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	151.5	178.1	67.6	-99.5	0	0	0	112.8	N28 V29 Y118 Y119 M121 L199 R202 L211 L313 T317	N28-F209 CarbonylContact C-O 3.59Å; N28-F209 WeakPolarHBondContact CA-O 3.41Å; N28-F209 HydrophobicContact CB-CD1 3.92Å; N28-F209 HydrophobicContact CB-CD2 4.15Å; N28-F209 HydrophobicContact CB-CE1 3.6Å; N28-F209 HydrophobicContact CB-CE2 3.84Å; N28-F209 HydrophobicContact CB-CG 4.19Å; N28-F209 HydrophobicContact CB-CZ 3.55Å; N28-F209 VanDerWaalsContact CG-CD1 3.5Å; N28-F209 WeakPolarHBondContact OD1-CD1 3.43Å; N28-F209 WeakPolarHBondContact OD1-CE1 3.43Å; N28-F209 PolarHBondContact OD1-N 2.84Å; V29-F209 PolarHBondContact N-O 2.86Å; Y118-F209 WeakPolarHBondContact CD1-O 3.32Å; Y119-F209 CarbonylContact O-C 3.43Å; Y119-F209 VanDerWaalsContact O-CA 3.31Å; Y119-F209 WeakPolarHBondContact O-CA 3.41Å; M121-F209 HydrophobicContact CE-CB 3.99Å; M121-F209 HydrophobicContact CE-CG 4.45Å; L199-F209 HydrophobicContact CD2-CE1 4.43Å; L199-F209 HydrophobicContact CD2-CE2 3.84Å; L199-F209 HydrophobicContact CD2-CZ 3.62Å; R202-F209 HydrophobicContact CB-CD1 3.91Å; R202-F209 HydrophobicContact CB-CE1 4.48Å; R202-F209 HydrophobicContact CG-CB 4.41Å; R202-F209 HydrophobicContact CG-CD1 4.45Å; F209-L211 HydrophobicContact CD2-CB 3.88Å; F209-L211 HydrophobicContact CE2-CB 4.13Å; F209-L313 HydrophobicContact CE1-CD1 4.23Å; F209-T317 HydrophobicContact CE2-CG2 4.48Å; F209-T317 HydrophobicContact CZ-CG2 4.28Å
210	F	98.8	Very high	94.5	Very high	1 Å²	1	32 Å²	32	0%	0.004	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	108	163.1	-179.7	-79.7	0	0	0	106.8	V29 F31 L109 P110 F113 Y118 Y119 T120 M121 W143 A212	V29-F210 HydrophobicContact CB-CD2 3.66Å; V29-F210 HydrophobicContact CB-CE2 4.2Å; V29-F210 HydrophobicContact CB-CG 4.4Å; V29-F210 HydrophobicContact CG1-CD2 3.73Å; V29-F210 HydrophobicContact CG1-CE2 3.73Å; V29-F210 HydrophobicContact CG2-CD2 4.24Å; V29-F210 CarbonylContact O-C 3.54Å; V29-F210 WeakPolarHBondContact O-CA 3.28Å; F31-F210 HydrophobicContact CB-CE1 4.39Å; F31-F210 HydrophobicContact CB-CE2 4.39Å; F31-F210 HydrophobicContact CB-CZ 3.89Å; F31-F210 HydrophobicContact CG-CZ 4.24Å; L109-F210 HydrophobicContact CD1-CE2 4.24Å; L109-F210 HydrophobicContact CD2-CE2 4.01Å; L109-F210 HydrophobicContact CD2-CZ 3.8Å; L109-F210 HydrophobicContact CG-CE2 3.89Å; L109-F210 HydrophobicContact CG-CZ 3.83Å; P110-F210 HydrophobicContact CB-CD1 4.17Å; P110-F210 HydrophobicContact CB-CE1 3.98Å; F113-F210 HydrophobicContact CB-CB 4.23Å; F113-F210 HydrophobicContact CB-CD2 4.27Å; F113-F210 HydrophobicContact CB-CG 4.38Å; F113-F210 HydrophobicContact CD1-CB 4.31Å; F113-F210 AromaticContact CD1-CD2 3.84Å; F113-F210 HydrophobicContact CD1-CD2 3.84Å; F113-F210 HydrophobicContact CD1-CG 4.48Å; F113-F210 HydrophobicContact CD2-CD2 4.08Å; F113-F210 HydrophobicContact CD2-CE2 4.32Å; F113-F210 HydrophobicContact CE1-CD2 4.2Å; F113-F210 HydrophobicContact CE2-CD2 4.43Å; F113-F210 HydrophobicContact CE2-CE2 4.48Å; F113-F210 HydrophobicContact CG-CB 4.43Å; F113-F210 AromaticContact CG-CD2 3.77Å; F113-F210 HydrophobicContact CG-CD2 3.77Å; F113-F210 HydrophobicContact CG-CE2 4.46Å; F113-F210 HydrophobicContact CG-CG 4.35Å; F113-F210 HydrophobicContact CZ-CD2 4.48Å; Y118-F210 HydrophobicContact CD1-CB 4.29Å; Y119-F210 PolarHBondContact O-N 2.85Å; T120-F210 CarbonylContact C-O 3.47Å; T120-F210 WeakPolarHBondContact CA-O 3.49Å; T120-F210 HydrophobicContact CG2-CB 3.95Å; M121-F210 PolarHBondContact N-O 2.72Å; W143-F210 HydrophobicContact CH2-CE1 4.42Å; W143-F210 HydrophobicContact CZ3-CD1 4.21Å; W143-F210 HydrophobicContact CZ3-CE1 4.17Å; F210-A212 HydrophobicContact CE1-CB 3.92Å
211	L	98.9	Very high	94.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	112.4	178.6	176.1	58.7	0	0	0	108.7	V29 L30 F31 M121 V123 A195 L198 L199 F209 V213	V29-L211 PolarHBondContact O-N 2.75Å; L30-L211 WeakPolarHBondContact CA-O 3.48Å; L30-L211 HydrophobicContact CD1-CB 4.3Å; L30-L211 HydrophobicContact CD1-CD2 4.05Å; L30-L211 HydrophobicContact CD1-CG 4.09Å; F31-L211 PolarHBondContact N-O 2.95Å; M121-L211 HydrophobicContact CB-CD1 3.78Å; M121-L211 HydrophobicContact CE-CB 4.22Å; M121-L211 HydrophobicContact CE-CD1 4.31Å; V123-L211 HydrophobicContact CG2-CD1 4Å; A195-L211 HydrophobicContact CB-CD2 4.34Å; L198-L211 HydrophobicContact CD1-CD1 3.95Å; L199-L211 HydrophobicContact CD2-CD2 3.84Å; L199-L211 HydrophobicContact CG-CD2 3.8Å; F209-L211 HydrophobicContact CD2-CB 3.88Å; F209-L211 HydrophobicContact CE2-CB 4.13Å; L211-V213 HydrophobicContact CD1-CG2 4.32Å; L211-V213 HydrophobicContact CD2-CG2 4.29Å; L211-V213 HydrophobicContact CG-CG2 3.94Å
212	A	98.9	Very high	94.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	126.6	170.4	0	0	0	0	0	110.6	F31 M121 S122 V123 V126 W143 F210	F31-A212 HydrophobicContact CB-CB 4.35Å; F31-A212 HydrophobicContact CD1-CB 4.25Å; F31-A212 CarbonylContact O-C 3.6Å; F31-A212 VanDerWaalsContact O-CA 3.24Å; F31-A212 WeakPolarHBondContact O-CA 3.43Å; M121-A212 PolarHBondContact O-N 2.99Å; S122-A212 WeakPolarHBondContact CA-O 3.23Å; V123-A212 PolarHBondContact N-O 3.42Å; V126-A212 HydrophobicContact CB-CB 4.39Å; V126-A212 HydrophobicContact CG1-CB 3.87Å; V126-A212 HydrophobicContact CG2-CB 3.64Å; W143-A212 HydrophobicContact CH2-CB 3.85Å; W143-A212 HydrophobicContact CZ3-CB 4.17Å; F210-A212 HydrophobicContact CE1-CB 3.92Å
213	V	98.9	Very high	94.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	115.4	176.6	-170.8	0	0	0	0	108.9	L30 F31 I32 M33 V123 A195 L211 F215 L304	L30-V213 HydrophobicContact CD1-CG2 4.05Å; F31-V213 PolarHBondContact O-N 3.08Å; I32-V213 WeakPolarHBondContact CA-O 3.46Å; M33-V213 PolarHBondContact N-O 3.38Å; V123-V213 WeakPolarHBondContact O-CA 3.37Å; A195-V213 HydrophobicContact CB-CG1 4.38Å; A195-V213 HydrophobicContact CB-CG2 3.74Å; L211-V213 HydrophobicContact CD1-CG2 4.32Å; L211-V213 HydrophobicContact CD2-CG2 4.29Å; L211-V213 HydrophobicContact CG-CG2 3.94Å; V213-F215 HydrophobicContact CG1-CE1 4.21Å; V213-F215 HydrophobicContact CG1-CE2 4.38Å; V213-F215 HydrophobicContact CG1-CZ 4.09Å; V213-L304 HydrophobicContact CB-CD1 4.24Å; V213-L304 HydrophobicContact CG1-CD1 4.04Å; V213-L304 HydrophobicContact CG2-CD1 4.16Å
214	G	98.9	Very high	95.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	102.4	179.5	0	0	0	0	0	112	M33 V123 G124 K125	M33-G214 CarbonylContact O-C 3.47Å; M33-G214 WeakPolarHBondContact O-CA 3.4Å; V123-G214 PolarHBondContact O-N 3.22Å; G124-G214 CarbonylContact C-O 3.57Å; G124-G214 WeakPolarHBondContact CA-O 3.22Å; K125-G214 PolarHBondContact N-O 3Å; K125-G214 WeakPolarHBondContact O-CA 2.94Å
215	F	98.9	Very high	96.1	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	144.6	174	-67.2	-59.6	0	0	0	111.6	I32 M33 D35 D188 T192 V213 M297 Q300 V301 L304	I32-F215 HydrophobicContact CG2-CD2 3.93Å; I32-F215 HydrophobicContact CG2-CE2 3.79Å; M33-F215 PolarHBondContact O-N 3.32Å; D35-F215 WeakPolarHBondContact CB-O 3.49Å; D35-F215 PolarHBondContact N-O 3.41Å; D188-F215 HydrophobicContact CB-CD1 3.8Å; D188-F215 HydrophobicContact CB-CE1 4.39Å; D188-F215 WeakPolarHBondContact OD1-CA 3.42Å; T192-F215 WeakPolarHBondContact OG1-CE1 3.41Å; V213-F215 HydrophobicContact CG1-CE1 4.21Å; V213-F215 HydrophobicContact CG1-CE2 4.38Å; V213-F215 HydrophobicContact CG1-CZ 4.09Å; F215-M297 HydrophobicContact CB-CG 4.01Å; F215-M297 HydrophobicContact CD2-CG 4.14Å; F215-M297 HydrophobicContact CD2-SD 4.33Å; F215-M297 HydrophobicContact CG-CG 4.15Å; F215-Q300 HydrophobicContact CD1-CB 4.39Å; F215-Q300 HydrophobicContact CE1-CB 3.65Å; F215-Q300 HydrophobicContact CE1-CG 4.38Å; F215-Q300 HydrophobicContact CE2-CB 4.47Å; F215-Q300 HydrophobicContact CZ-CB 3.68Å; F215-V301 HydrophobicContact CD2-CG2 4.2Å; F215-V301 HydrophobicContact CE2-CG2 3.68Å; F215-L304 HydrophobicContact CE2-CD1 4.07Å; F215-L304 HydrophobicContact CZ-CD1 3.69Å; F215-L304 HydrophobicContact CZ-CG 4.37Å
216	H	98.8	Very high	96.9	Very high	7 Å²	7	15.8 Å²	15.8	3%	0.032	11%	0.108	C	C	.	.			trans	-87.2	-37.2	-179.9	-65.3	81.7	0	0	0	112.5	F153 D188 H219	F153-H216 AromaticContact CD2-CD2 3.33Å; F153-H216 WeakPolarHBondContact CD2-CD2 3.39Å; F153-H216 AromaticContact CD2-NE2 3.43Å; F153-H216 WeakPolarHBondContact CD2-NE2 3.49Å; F153-H216 AromaticContact CE2-CD2 3.24Å; F153-H216 WeakPolarHBondContact CE2-CD2 3.33Å; F153-H216 AromaticContact CE2-NE2 3.66Å; F153-H216 AromaticContact CG-NE2 3.9Å; D188-H216 IonicContact OD1-CG 3.76Å; D188-H216 PolarHBondContact OD1-N 2.94Å; D188-H216 IonicContact OD1-ND1 3.18Å; D188-H216 PolarHBondContact OD1-ND1 3.06Å; D188-H216 PolarHBondContact OD2-N 3.16Å; H216-H219 WeakPolarHBondContact O-CA 3.46Å; H216-H219 WeakPolarHBondContact O-CB 3.23Å; H216-H219 PolarHBondContact O-N 3.31Å
217	K	98.6	Very high	97.8	Very high	4 Å²	4	15.9 Å²	15.9	2%	0.017	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	145.6	176.6	-63.8	-49	108.4	-177	0	110.1	S34 E156 D188 H219 P221 I224 A293 Y296 M297	S34-K217 PolarHBondContact OG-O 3.11Å; E156-K217 IonicContact OE2-NZ 2.76Å; E156-K217 PolarHBondContact OE2-NZ 3.14Å; D188-K217 WeakPolarHBondContact OD2-CB 3.29Å; D188-K217 WeakPolarHBondContact OD2-CG 3.47Å; D188-K217 PolarHBondContact OD2-N 3.36Å; K217-H219 PolarHBondContact NZ-O 3.46Å; K217-P221 PolarHBondContact NZ-O 3.41Å; K217-I224 HydrophobicContact CD-CG2 4.28Å; K217-I224 HydrophobicContact CG-CG2 4.34Å; K217-A293 HydrophobicContact CB-CB 4.29Å; K217-Y296 HydrophobicContact CB-CD1 4.29Å; K217-Y296 HydrophobicContact CB-CE1 4.48Å; K217-Y296 HydrophobicContact CG-CD1 3.92Å; K217-Y296 HydrophobicContact CG-CE1 3.84Å; K217-M297 HydrophobicContact CB-CB 4.46Å
218	P	98.6	Very high	98.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	cis	-87.5	11	10.5	36	-37.6	0	0	0	116.7	S34 D35 L37 I220 F222 Y290 A293 V294	S34-P218 VanDerWaalsContact OG-CD 3.25Å; S34-P218 WeakPolarHBondContact OG-CD 3.31Å; D35-P218 VanDerWaalsContact O-CD 3.27Å; D35-P218 WeakPolarHBondContact O-CD 3.3Å; L37-P218 HydrophobicContact CB-CG 4.23Å; L37-P218 HydrophobicContact CD1-CG 4.18Å; P218-I220 PolarHBondContact O-N 3.13Å; P218-F222 WeakPolarHBondContact O-CD1 3.07Å; P218-F222 WeakPolarHBondContact O-CE1 3.41Å; P218-Y290 HydrophobicContact CB-CD2 3.97Å; P218-Y290 HydrophobicContact CB-CE1 4.46Å; P218-Y290 HydrophobicContact CB-CE2 3.72Å; P218-Y290 HydrophobicContact CB-CG 4.42Å; P218-Y290 HydrophobicContact CG-CD2 4.36Å; P218-Y290 HydrophobicContact CG-CE1 4.24Å; P218-Y290 HydrophobicContact CG-CE2 3.61Å; P218-Y290 WeakPolarHBondContact CG-OH 3.43Å; P218-A293 HydrophobicContact CB-CB 3.93Å; P218-V294 HydrophobicContact CB-CG2 4.2Å; P218-V294 HydrophobicContact CG-CG2 4.16Å
219	H	98.8	Very high	98.5	Very high	36 Å²	36	15 Å²	15	17%	0.167	7%	0.071	C	C	.	.	S	Bend	trans	-51.3	141	177.2	-173	-69.8	0	0	0	112.8	D35 D36 H216 K217 K337	D35-H219 HydrophobicContact CB-CB 4Å; D35-H219 PolarHBondContact O-N 2.86Å; D35-H219 VanDerWaalsContact O-N 3.08Å; D35-H219 VanDerWaalsContact OD2-CB 3.22Å; D35-H219 WeakPolarHBondContact OD2-CB 3.28Å; D35-H219 IonicContact OD2-CD2 3.69Å; D35-H219 PolarHBondContact OD2-CD2 2.95Å; D35-H219 IonicContact OD2-CG 2.94Å; D35-H219 VanDerWaalsContact OD2-CG 3.23Å; D36-H219 HydrophobicContact CB-CB 4.04Å; D36-H219 IonicContact OD1-CD2 2.79Å; D36-H219 PolarHBondContact OD1-CD2 3.43Å; D36-H219 IonicContact OD1-CG 3.15Å; D36-H219 IonicContact OD2-CD2 3.8Å; D36-H219 PolarHBondContact OD2-CD2 3.25Å; D36-H219 IonicContact OD2-CG 2.8Å; D36-H219 IonicContact OD2-NE2 3.37Å; H216-H219 WeakPolarHBondContact O-CA 3.46Å; H216-H219 WeakPolarHBondContact O-CB 3.23Å; H216-H219 PolarHBondContact O-N 3.31Å; K217-H219 PolarHBondContact NZ-O 3.46Å; H219-K337 PolarHBondContact CD2-NZ 3.06Å; H219-K337 VanDerWaalsContact CD2-NZ 3.33Å; H219-K337 PolarHBondContact NE2-NZ 3.33Å
220	I	98	Very high	98.5	Very high	6 Å²	6	19.1 Å²	19.1	3%	0.031	10%	0.101	C	C	.	.	S	Bend	trans	-64.1	152.6	-177.8	61.2	176.6	0	0	0	114.2	L172 P218 F222 D259 V260 W327	L172-I220 HydrophobicContact CD1-CB 3.77Å; L172-I220 HydrophobicContact CD1-CG2 3.47Å; L172-I220 VanDerWaalsContact CD1-CG2 3.47Å; P218-I220 PolarHBondContact O-N 3.13Å; I220-F222 HydrophobicContact CG2-CE1 4.05Å; I220-F222 HydrophobicContact CG2-CE2 3.98Å; I220-F222 HydrophobicContact CG2-CZ 3.69Å; I220-D259 HydrophobicContact CD1-CB 4.45Å; I220-D259 WeakPolarHBondContact CD1-OD2 3.32Å; I220-V260 HydrophobicContact CD1-CG2 3.99Å; I220-W327 HydrophobicContact CG2-CZ2 3.92Å
221	P	98.1	Very high	98.5	Very high	10 Å²	10	20.2 Å²	20.2	7%	0.065	11%	0.107	C	C	.	.	S	Bend	cis	-68.3	161.7	-8.3	33.7	-37.5	0	0	0	111.6	E156 N171 K217 R223	E156-P221 WeakPolarHBondContact O-CG 3.41Å; E156-P221 WeakPolarHBondContact OE2-CD 3.35Å; N171-P221 VanDerWaalsContact O-CB 3.32Å; N171-P221 WeakPolarHBondContact O-CB 3.49Å; K217-P221 PolarHBondContact NZ-O 3.41Å; P221-R223 HydrophobicContact CG-CB 4.48Å; P221-R223 PolarHBondContact O-N 2.83Å
222	F	98.2	Very high	98.5	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	61.6	175.6	-53.7	-65.6	0	0	0	110	L172 L173 C174 P218 I220 I224 I286 H289 Y290 A293 W327	L172-F222 HydrophobicContact CD1-CD2 4.04Å; L172-F222 HydrophobicContact CD1-CE2 3.84Å; L172-F222 HydrophobicContact CD2-CE2 4.31Å; L172-F222 HydrophobicContact CG-CD2 3.97Å; L172-F222 HydrophobicContact CG-CE2 3.95Å; L172-F222 PolarHBondContact O-N 3.12Å; L173-F222 HydrophobicContact CD2-CD2 4.21Å; C174-F222 CarbonylContact C-O 3.54Å; C174-F222 WeakPolarHBondContact CA-O 3.35Å; C174-F222 WeakPolarHBondContact CB-O 3.36Å; C174-F222 PolarHBondContact N-O 2.79Å; C174-F222 VanDerWaalsContact O-O 3.11Å; P218-F222 WeakPolarHBondContact O-CD1 3.07Å; P218-F222 WeakPolarHBondContact O-CE1 3.41Å; I220-F222 HydrophobicContact CG2-CE1 4.05Å; I220-F222 HydrophobicContact CG2-CE2 3.98Å; I220-F222 HydrophobicContact CG2-CZ 3.69Å; F222-I224 PolarHBondContact O-N 3.35Å; F222-I286 HydrophobicContact CE2-CG2 3.99Å; F222-I286 HydrophobicContact CZ-CG2 4.35Å; F222-H289 HydrophobicContact CB-CB 3.68Å; F222-H289 HydrophobicContact CD2-CB 3.83Å; F222-H289 HydrophobicContact CG-CB 3.82Å; F222-Y290 AromaticContact CE1-CD2 3.69Å; F222-Y290 HydrophobicContact CE1-CD2 3.69Å; F222-Y290 HydrophobicContact CE1-CG 4.3Å; F222-Y290 HydrophobicContact CZ-CD2 4.03Å; F222-A293 HydrophobicContact CD1-CB 4.37Å; F222-W327 HydrophobicContact CZ-CH2 4.04Å; F222-W327 HydrophobicContact CZ-CZ2 4.05Å
223	R	98.4	Very high	98.5	Very high	3 Å²	3	22.6 Å²	22.6	1%	0.011	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	100.4	172.8	-169.3	172.7	65.8	148.5	-0.6	110.1	S152 F155 E156 C174 V176 L186 P221	S152-R223 PolarHBondContact O-NH2 3.06Å; F155-R223 VanDerWaalsContact CB-NH1 3.35Å; E156-R223 IonicContact OE1-CZ 3.21Å; E156-R223 IonicContact OE1-NE 2.8Å; E156-R223 PolarHBondContact OE1-NE 3.4Å; E156-R223 IonicContact OE1-NH2 2.75Å; E156-R223 PolarHBondContact OE1-NH2 3.2Å; C174-R223 HydrophobicContact CB-CB 4.05Å; C174-R223 HydrophobicContact CB-CG 4.41Å; C174-R223 VanDerWaalsContact O-CA 3.22Å; C174-R223 WeakPolarHBondContact O-CA 3.06Å; V176-R223 HydrophobicContact CG1-CG 4.28Å; V176-R223 HydrophobicContact CG2-CG 4.15Å; L186-R223 HydrophobicContact CD2-CG 4.05Å; P221-R223 HydrophobicContact CG-CB 4.48Å; P221-R223 PolarHBondContact O-N 2.83Å
224	I	98.4	Very high	98.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	157.2	-168.7	61.2	173.8	0	0	0	111.1	C174 A175 V176 K217 F222 Q226 L229 A292 A293 Y296	C174-I224 PolarHBondContact O-N 2.96Å; C174-I224 VanDerWaalsContact O-N 3.16Å; A175-I224 WeakPolarHBondContact CA-O 3.37Å; V176-I224 WeakPolarHBondContact CG2-O 3.31Å; V176-I224 PolarHBondContact N-O 3.16Å; K217-I224 HydrophobicContact CD-CG2 4.28Å; K217-I224 HydrophobicContact CG-CG2 4.34Å; F222-I224 PolarHBondContact O-N 3.35Å; I224-Q226 PolarHBondContact O-N 3.43Å; I224-L229 HydrophobicContact CD1-CD2 4.24Å; I224-A292 HydrophobicContact CD1-CB 3.43Å; I224-A292 VanDerWaalsContact CD1-CB 3.43Å; I224-A293 HydrophobicContact CG2-CB 3.65Å; I224-Y296 HydrophobicContact CG2-CD1 4.24Å
225	P	98.7	Very high	98.3	Very high	4 Å²	4	32.2 Å²	32.2	3%	0.026	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	128.5	170.8	-15.6	29.8	0	0	0	110	V178 L186 E227 Y228 Y296	V178-P225 HydrophobicContact CG2-CB 3.63Å; V178-P225 HydrophobicContact CG2-CG 3.72Å; L186-P225 HydrophobicContact CD1-CG 3.88Å; P225-E227 VanDerWaalsContact C-OE2 3.27Å; P225-E227 HydrophobicContact CB-CG 4.29Å; P225-E227 WeakPolarHBondContact CB-OE1 3.23Å; P225-E227 VanDerWaalsContact CB-OE2 3.25Å; P225-E227 WeakPolarHBondContact CB-OE2 3.43Å; P225-E227 PolarHBondContact O-N 2.89Å; P225-Y228 HydrophobicContact CB-CD2 3.76Å; P225-Y228 HydrophobicContact CB-CE2 3.87Å; P225-Y228 HydrophobicContact CG-CD2 3.96Å; P225-Y228 HydrophobicContact CG-CE2 3.8Å; P225-Y228 PolarHBondContact O-N 3.23Å; P225-Y296 HydrophobicContact CG-CD2 3.74Å; P225-Y296 HydrophobicContact CG-CE2 3.83Å; P225-Y296 HydrophobicContact CG-CG 4.35Å
226	Q	98.1	Very high	98.2	Very high	102 Å²	102	39 Å²	39	48%	0.477	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-62.2	-27.1	-170.2	65.3	-177.3	24.5	0	0	114.2	A175 V176 I224 Y228 L229	A175-Q226 HydrophobicContact CB-CB 3.92Å; V176-Q226 PolarHBondContact O-N 3.42Å; I224-Q226 PolarHBondContact O-N 3.43Å; Q226-Y228 PolarHBondContact O-N 3.2Å; Q226-L229 WeakPolarHBondContact O-CB 3.28Å; Q226-L229 PolarHBondContact O-N 3.32Å; Q226-L229 VanDerWaalsContact O-N 3.11Å
227	E	98.4	Very high	98.1	Very high	85 Å²	85	38.9 Å²	38.9	40%	0.397	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-59.5	-29.4	178.8	58.2	-90.4	-143.7	0	0	112.7	P225 L229 S230 L374	P225-E227 VanDerWaalsContact C-OE2 3.27Å; P225-E227 HydrophobicContact CB-CG 4.29Å; P225-E227 WeakPolarHBondContact CB-OE1 3.23Å; P225-E227 VanDerWaalsContact CB-OE2 3.25Å; P225-E227 WeakPolarHBondContact CB-OE2 3.43Å; P225-E227 PolarHBondContact O-N 2.89Å; E227-L229 PolarHBondContact O-N 2.98Å; E227-S230 WeakPolarHBondContact O-CB 3.4Å; E227-S230 PolarHBondContact O-N 3.17Å; E227-S230 VanDerWaalsContact O-N 3.11Å; E227-S230 PolarHBondContact O-OG 3.25Å; E227-L374 HydrophobicContact CB-CD1 4.43Å; E227-L374 HydrophobicContact CG-CD1 3.74Å; E227-L374 HydrophobicContact CG-CD2 4.46Å
228	Y	98.7	Very high	98.1	Very high	17 Å²	17	41.7 Å²	41.7	7%	0.067	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-68.2	-19.5	177.8	-71	-88.2	0	0	0	113.4	P225 Q226 S230 L231 Y296 A299 V373 L374	P225-Y228 HydrophobicContact CB-CD2 3.76Å; P225-Y228 HydrophobicContact CB-CE2 3.87Å; P225-Y228 HydrophobicContact CG-CD2 3.96Å; P225-Y228 HydrophobicContact CG-CE2 3.8Å; P225-Y228 PolarHBondContact O-N 3.23Å; Q226-Y228 PolarHBondContact O-N 3.2Å; Y228-S230 PolarHBondContact O-N 3.11Å; Y228-L231 HydrophobicContact CD1-CD1 4.06Å; Y228-L231 WeakPolarHBondContact O-CB 3.5Å; Y228-L231 PolarHBondContact O-N 2.61Å; Y228-Y296 HydrophobicContact CD2-CD2 4.42Å; Y228-Y296 VanDerWaalsContact CE1-CA 3.47Å; Y228-Y296 AromaticContact CE2-CD2 3.79Å; Y228-Y296 HydrophobicContact CE2-CD2 3.79Å; Y228-Y296 HydrophobicContact CE2-CG 4.3Å; Y228-A299 WeakPolarHBondContact OH-CB 3.24Å; Y228-V373 HydrophobicContact CD1-CG1 4.32Å; Y228-V373 HydrophobicContact CE1-CG1 3.69Å; Y228-L374 HydrophobicContact CD1-CD2 3.88Å; Y228-L374 HydrophobicContact CD1-CG 4.4Å; Y228-L374 HydrophobicContact CE1-CD1 4.46Å; Y228-L374 HydrophobicContact CE1-CD2 4.12Å; Y228-L374 HydrophobicContact CE1-CG 4.13Å; Y228-L374 HydrophobicContact CE2-CD1 4.47Å; Y228-L374 HydrophobicContact CG-CD2 4.2Å
229	L	98.5	Very high	98.1	Very high	36 Å²	36	43.4 Å²	43.4	19%	0.188	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-64.4	-26.1	172.9	-67	-176	0	0	0	112.5	A175 I224 Q226 E227 L231 Y232 Q288 A292	A175-L229 HydrophobicContact CB-CD1 3.41Å; A175-L229 VanDerWaalsContact CB-CD1 3.41Å; A175-L229 HydrophobicContact CB-CG 4.03Å; I224-L229 HydrophobicContact CD1-CD2 4.24Å; Q226-L229 WeakPolarHBondContact O-CB 3.28Å; Q226-L229 PolarHBondContact O-N 3.32Å; Q226-L229 VanDerWaalsContact O-N 3.11Å; E227-L229 PolarHBondContact O-N 2.98Å; L229-L231 PolarHBondContact O-N 3.26Å; L229-Y232 CarbonylContact O-C 3.48Å; L229-Y232 PolarHBondContact O-N 3.11Å; L229-Q288 HydrophobicContact CD2-CG 4.08Å; L229-A292 HydrophobicContact CD2-CB 3.88Å
230	S	98	Very high	98	Very high	90 Å²	90	42 Å²	42	63%	0.629	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-65.9	-20.6	-179.9	68.7	0	0	0	0	113.7	E227 Y228 Y232	E227-S230 WeakPolarHBondContact O-CB 3.4Å; E227-S230 PolarHBondContact O-N 3.17Å; E227-S230 VanDerWaalsContact O-N 3.11Å; E227-S230 PolarHBondContact O-OG 3.25Å; Y228-S230 PolarHBondContact O-N 3.11Å; S230-Y232 PolarHBondContact O-N 3.1Å
231	L	98.4	Very high	98	Very high	25 Å²	25	46.7 Å²	46.7	13%	0.131	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-70.2	-15.2	173.8	-63.9	176.4	0	0	0	112.7	Y228 L229 V373 L374 P377	Y228-L231 HydrophobicContact CD1-CD1 4.06Å; Y228-L231 WeakPolarHBondContact O-CB 3.5Å; Y228-L231 PolarHBondContact O-N 2.61Å; L229-L231 PolarHBondContact O-N 3.26Å; L231-V373 HydrophobicContact CD1-CG1 4.34Å; L231-V373 HydrophobicContact CD1-CG2 4.04Å; L231-L374 HydrophobicContact CD1-CD2 4.07Å; L231-L374 HydrophobicContact CD2-CD2 4.4Å; L231-L374 HydrophobicContact CG-CD2 4.09Å; L231-P377 HydrophobicContact CD2-CB 3.87Å; L231-P377 HydrophobicContact CD2-CG 4.34Å
232	Y	98.4	Very high	98	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.008	26%	0.257	C	S	.	.	S	Bend	trans	-135	75.9	-168.5	-61.6	-69.8	0	0	0	110.8	L48 K50 L229 S230 L234 M237 Q288 Y291 A292 S295	L48-Y232 HydrophobicContact CD1-CD1 4.04Å; L48-Y232 HydrophobicContact CD1-CE1 4.19Å; L48-Y232 HydrophobicContact CG-CD1 4.39Å; L48-Y232 HydrophobicContact CG-CE1 4.24Å; L48-Y232 VanDerWaalsContact O-CE1 3.28Å; L48-Y232 WeakPolarHBondContact O-CE1 3.4Å; K50-Y232 WeakPolarHBondContact CB-OH 3.24Å; K50-Y232 HydrophobicContact CG-CE1 4.19Å; K50-Y232 WeakPolarHBondContact CG-OH 3.38Å; K50-Y232 PolarHBondContact N-OH 3.2Å; L229-Y232 CarbonylContact O-C 3.48Å; L229-Y232 PolarHBondContact O-N 3.11Å; S230-Y232 PolarHBondContact O-N 3.1Å; Y232-L234 PolarHBondContact O-N 3.02Å; Y232-M237 HydrophobicContact CD1-SD 4.19Å; Y232-M237 HydrophobicContact CG-SD 4.44Å; Y232-Q288 WeakPolarHBondContact O-CG 3.33Å; Y232-Q288 PolarHBondContact O-NE2 3.43Å; Y232-Y291 HydrophobicContact CE1-CD1 4.36Å; Y232-Y291 HydrophobicContact CE1-CG 4.23Å; Y232-Y291 VanDerWaalsContact CE2-C 3.43Å; Y232-A292 HydrophobicContact CD2-CB 3.97Å; Y232-A292 HydrophobicContact CE2-CB 4.31Å; Y232-S295 PolarHBondContact OH-OG 3.14Å
233	P	98.1	Very high	98	Very high	48 Å²	48	48.2 Å²	48.2	31%	0.312	27%	0.267	S	S	.	.			trans	-54.6	127.2	176.3	-23.9	34.4	0	0	0	111.4	D235 E236 M237	P233-D235 WeakPolarHBondContact CB-OD1 3.24Å; P233-D235 PolarHBondContact O-N 3.18Å; P233-E236 HydrophobicContact CB-CB 4.33Å; P233-E236 HydrophobicContact CB-CG 4.12Å; P233-E236 PolarHBondContact O-N 3.47Å; P233-M237 WeakPolarHBondContact O-CG 3.25Å; P233-M237 PolarHBondContact O-N 2.81Å
234	L	97.4	Very high	97.9	Very high	57 Å²	57	54.1 Å²	54.1	30%	0.298	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-31.2	-170.2	-179.2	62.6	0	0	0	113.1	Y232 E236 M237 R284 R285	Y232-L234 PolarHBondContact O-N 3.02Å; L234-E236 VanDerWaalsContact C-N 3.27Å; L234-M237 WeakPolarHBondContact O-CB 3.07Å; L234-M237 PolarHBondContact O-N 3.3Å; L234-R284 HydrophobicContact CD1-CB 3.78Å; L234-R285 HydrophobicContact CD1-CB 4.46Å; L234-R285 HydrophobicContact CD1-CG 3.74Å; L234-R285 HydrophobicContact CD2-CG 3.88Å
235	D	96.5	Very high	97.9	Very high	144 Å²	144	56.8 Å²	56.8	77%	0.77	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-21.3	176.2	56.1	-40.3	0	0	0	113.3	P233	P233-D235 WeakPolarHBondContact CB-OD1 3.24Å; P233-D235 PolarHBondContact O-N 3.18Å
236	E	96.6	Very high	97.9	Very high	143 Å²	143	57.3 Å²	57.3	67%	0.668	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-10	174.1	-62.3	-179.8	-164	0	0	112.7	P233 L234 P238	P233-E236 HydrophobicContact CB-CB 4.33Å; P233-E236 HydrophobicContact CB-CG 4.12Å; P233-E236 PolarHBondContact O-N 3.47Å; L234-E236 VanDerWaalsContact C-N 3.27Å; E236-P238 VanDerWaalsContact O-CD 3.27Å; E236-P238 WeakPolarHBondContact O-CD 3.44Å
237	M	98.1	Very high	97.8	Very high	4 Å²	4	62.4 Å²	62.4	2%	0.02	34%	0.338	C	S	.	.			trans	-73.2	116.6	-177.8	-68	-59.4	-56.9	0	0	112	L48 Y232 P233 L234 R284 R287 Q288 Y291	L48-M237 HydrophobicContact CD1-SD 4.32Å; L48-M237 HydrophobicContact CD2-CE 3.73Å; L48-M237 HydrophobicContact CD2-SD 4.2Å; Y232-M237 HydrophobicContact CD1-SD 4.19Å; Y232-M237 HydrophobicContact CG-SD 4.44Å; P233-M237 WeakPolarHBondContact O-CG 3.25Å; P233-M237 PolarHBondContact O-N 2.81Å; L234-M237 WeakPolarHBondContact O-CB 3.07Å; L234-M237 PolarHBondContact O-N 3.3Å; M237-R284 HydrophobicContact CB-CB 4.18Å; M237-R284 HydrophobicContact CB-CG 4.49Å; M237-R284 VanDerWaalsContact O-CD 3.3Å; M237-R284 WeakPolarHBondContact O-CD 3.39Å; M237-R284 WeakPolarHBondContact O-CG 3.37Å; M237-R284 PolarHBondContact O-NE 3.48Å; M237-R287 HydrophobicContact CE-CB 3.78Å; M237-Q288 HydrophobicContact CE-CB 4.38Å; M237-Q288 HydrophobicContact CG-CB 4.07Å; M237-Q288 HydrophobicContact CG-CG 4.31Å; M237-Q288 HydrophobicContact SD-CB 4.43Å; M237-Y291 HydrophobicContact CE-CD2 3.86Å; M237-Y291 HydrophobicContact CE-CE2 4.41Å
238	P	98	Very high	97.7	Very high	64 Å²	64	61.9 Å²	61.9	42%	0.416	34%	0.338	S	S	.	.			trans	-74.5	161.1	175.9	32.7	-35.3	0	0	0	110.8	L48 E236 R287	L48-P238 HydrophobicContact CD2-CG 4.33Å; E236-P238 VanDerWaalsContact O-CD 3.27Å; E236-P238 WeakPolarHBondContact O-CD 3.44Å; P238-R287 VanDerWaalsContact O-CD 3.3Å; P238-R287 WeakPolarHBondContact O-CD 3.25Å; P238-R287 PolarHBondContact O-NE 2.9Å
239	L	98.4	Very high	97.7	Very high	35 Å²	35	61.9 Å²	61.9	18%	0.183	34%	0.339	C	S	.	.			trans	-73	176.6	160.2	-62.7	177.3	0	0	0	109.8	K280 Q283 R284	L239-K280 HydrophobicContact CD1-CB 4.43Å; L239-K280 HydrophobicContact CD1-CD 3.98Å; L239-K280 HydrophobicContact CD1-CG 4.02Å; L239-K280 HydrophobicContact CD2-CB 4.35Å; L239-Q283 HydrophobicContact CD2-CB 3.75Å; L239-R284 HydrophobicContact CD2-CG 3.88Å
240	A	97.8	Very high	97.7	Very high	6 Å²	6	61 Å²	61	5%	0.05	34%	0.336	C	S	.	.			trans	-59.4	151.5	161.7	0	0	0	0	0	110.3	D242 P243 E331	A240-D242 PolarHBondContact O-N 2.04Å; A240-P243 WeakPolarHBondContact O-CD 3.15Å; A240-E331 HydrophobicContact CB-CG 4.07Å
241	P	96.8	Very high	97.7	Very high	105 Å²	105	59.7 Å²	59.7	68%	0.682	33%	0.325	S	S	*	.	S	Bend	trans	-57	-32.9	174.9	-24.3	35.2	0	0	0	113.4	P243	P241-P243 WeakPolarHBondContact O-CD 3.35Å
242	D	97.7	Very high	97.7	Very high	13 Å²	13	58.7 Å²	58.7	7%	0.07	32%	0.32	C	S	.	.	S	Bend	trans	-129.4	61	-168.6	55.7	-20.9	0	0	0	111.1	A240 D244 E331 H332 D515	A240-D242 PolarHBondContact O-N 2.04Å; D242-D244 PolarHBondContact O-N 3.43Å; D242-E331 WeakPolarHBondContact OD1-CA 3.33Å; D242-E331 WeakPolarHBondContact OD1-CB 3.35Å; D242-E331 VanDerWaalsContact OD1-CG 3.29Å; D242-E331 WeakPolarHBondContact OD1-CG 3.32Å; D242-H332 PolarHBondContact O-N 3.06Å; D242-H332 IonicContact OD2-CD2 3.07Å; D242-H332 PolarHBondContact OD2-CD2 2.81Å; D242-H332 VanDerWaalsContact OD2-CD2 3.27Å; D242-H332 IonicContact OD2-CE1 2.71Å; D242-H332 IonicContact OD2-CG 3.59Å; D242-H332 IonicContact OD2-NE2 3.54Å; D242-H332 PolarHBondContact OD2-NE2 2.94Å; D242-D515 WeakPolarHBondContact CB-OD1 3.38Å
243	P	97.9	Very high	97.7	Very high	30 Å²	30	58.7 Å²	58.7	20%	0.195	32%	0.32	C	S	.	.			trans	-76.6	-4.7	-168.5	33.7	-37.2	0	0	0	114.8	A240 P241 G330 G333	A240-P243 WeakPolarHBondContact O-CD 3.15Å; P241-P243 WeakPolarHBondContact O-CD 3.35Å; P243-G330 WeakPolarHBondContact CA-O 3.34Å; P243-G333 WeakPolarHBondContact O-CA 3.44Å
244	D	97.9	Very high	97.8	Very high	127 Å²	127	56.5 Å²	56.5	68%	0.679	31%	0.305	S	S	*	.	S	Bend	trans	-100.3	148.3	-176.1	-68.6	-43.1	0	0	0	110.5	D242 P246 H332	D242-D244 PolarHBondContact O-N 3.43Å; D244-P246 VanDerWaalsContact O-CD 3.28Å; D244-P246 WeakPolarHBondContact O-CD 3.37Å; D244-H332 CarbonylContact O-C 3.46Å
245	V	98.4	Very high	97.8	Very high	55 Å²	55	53.8 Å²	53.8	33%	0.333	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-66.7	120.6	175.9	-177	0	0	0	0	109.8	K247 L249 Y254 Y275 H332	V245-K247 PolarHBondContact O-N 3.44Å; V245-L249 HydrophobicContact CG1-CD2 4.28Å; V245-Y254 HydrophobicContact CG1-CD2 4.37Å; V245-Y254 HydrophobicContact CG1-CE2 4.41Å; V245-Y254 HydrophobicContact CG2-CE2 3.96Å; V245-Y275 HydrophobicContact CG2-CD1 4.35Å; V245-H332 WeakPolarHBondContact CA-O 3.31Å
246	P	97.8	Very high	97.9	Very high	15 Å²	15	46.9 Å²	46.9	10%	0.097	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-62.2	136.5	-178.7	-23.6	33.6	0	0	0	111.8	D244 L248 L249 H332 D515	D244-P246 VanDerWaalsContact O-CD 3.28Å; D244-P246 WeakPolarHBondContact O-CD 3.37Å; P246-L248 PolarHBondContact O-N 3.42Å; P246-L248 VanDerWaalsContact O-N 3.11Å; P246-L249 HydrophobicContact CB-CB 4.18Å; P246-L249 WeakPolarHBondContact O-CB 3.29Å; P246-L249 PolarHBondContact O-N 2.86Å; P246-L249 VanDerWaalsContact O-N 3.12Å; P246-H332 HydrophobicContact CG-CB 4Å; P246-D515 WeakPolarHBondContact CB-O 3.41Å
247	K	96.1	Very high	98	Very high	209 Å²	209	40.1 Å²	40.1	91%	0.909	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-27.8	-174.3	-66.1	-179.9	-176.7	170.7	0	113.8	V245	V245-K247 PolarHBondContact O-N 3.44Å
248	L	96.8	Very high	98	Very high	75 Å²	75	41 Å²	41	39%	0.393	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	6.6	-176.7	-61.4	-179.2	0	0	0	113.1	P246 P250 N517	P246-L248 PolarHBondContact O-N 3.42Å; P246-L248 VanDerWaalsContact O-N 3.11Å; L248-P250 VanDerWaalsContact O-CD 3.28Å; L248-P250 WeakPolarHBondContact O-CD 3.29Å; L248-N517 HydrophobicContact CB-CB 4.04Å; L248-N517 PolarHBondContact O-ND2 3.42Å; L248-N517 VanDerWaalsContact O-ND2 3.15Å
249	L	98.2	Very high	97.8	Very high	16 Å²	16	39.5 Å²	39.5	8%	0.084	22%	0.217	C	C	.	.			trans	-67.2	116.5	169.6	-178.9	59.5	0	0	0	108.8	V245 P246 A253 Y254 F341	V245-L249 HydrophobicContact CG1-CD2 4.28Å; P246-L249 HydrophobicContact CB-CB 4.18Å; P246-L249 WeakPolarHBondContact O-CB 3.29Å; P246-L249 PolarHBondContact O-N 2.86Å; P246-L249 VanDerWaalsContact O-N 3.12Å; L249-A253 HydrophobicContact CD1-CB 3.7Å; L249-Y254 HydrophobicContact CD2-CD2 3.91Å; L249-F341 HydrophobicContact CD1-CE2 3.89Å; L249-F341 HydrophobicContact CD1-CZ 3.59Å; L249-F341 HydrophobicContact CD2-CE2 4.21Å; L249-F341 HydrophobicContact CD2-CZ 4.31Å
250	P	98.3	Very high	97.7	Very high	19 Å²	19	37.9 Å²	37.9	12%	0.123	21%	0.208	C	C	.	.			trans	-64.7	137.7	176.3	26.6	-35.8	0	0	0	110.5	L248 V252 A253 A502 E504	L248-P250 VanDerWaalsContact O-CD 3.28Å; L248-P250 WeakPolarHBondContact O-CD 3.29Å; P250-V252 HydrophobicContact CB-CG1 4.24Å; P250-V252 PolarHBondContact O-N 3.12Å; P250-A253 HydrophobicContact CG-CB 3.99Å; P250-A253 WeakPolarHBondContact O-CB 3.36Å; P250-A253 PolarHBondContact O-N 2.98Å; P250-A502 HydrophobicContact CB-CB 3.56Å; P250-A502 HydrophobicContact CG-CB 3.92Å; P250-E504 HydrophobicContact CG-CG 3.87Å
251	P	98.6	Very high	97.7	Very high	61 Å²	61	39.3 Å²	39.3	40%	0.396	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-29.4	-177.5	-29.3	35.9	0	0	0	115	A253 Y254 D454 P456	P251-A253 PolarHBondContact O-N 3.25Å; P251-Y254 PolarHBondContact O-N 2.75Å; P251-D454 CarbonylContact C-O 3.41Å; P251-P456 WeakPolarHBondContact O-CD 3.37Å; P251-P456 WeakPolarHBondContact O-CG 3.29Å
252	V	98.8	Very high	97.6	Very high	5 Å²	5	40.6 Å²	40.6	3%	0.03	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-27.9	178.4	67.6	0	0	0	0	112.1	P250 R451 D454 V470 W485 A502	P250-V252 HydrophobicContact CB-CG1 4.24Å; P250-V252 PolarHBondContact O-N 3.12Å; V252-R451 HydrophobicContact CG2-CB 4.12Å; V252-R451 HydrophobicContact CG2-CG 4.01Å; V252-R451 WeakPolarHBondContact O-CD 3.45Å; V252-R451 VanDerWaalsContact O-CG 3.32Å; V252-R451 WeakPolarHBondContact O-CG 3.45Å; V252-R451 PolarHBondContact O-NE 3.09Å; V252-D454 WeakPolarHBondContact CA-O 3.49Å; V252-D454 HydrophobicContact CB-CB 4.49Å; V252-D454 PolarHBondContact N-O 3.34Å; V252-V470 HydrophobicContact CG2-CB 4.44Å; V252-V470 HydrophobicContact CG2-CG1 4.07Å; V252-W485 HydrophobicContact CB-CD2 4.46Å; V252-W485 HydrophobicContact CG1-CB 3.85Å; V252-W485 HydrophobicContact CG1-CD2 3.75Å; V252-W485 HydrophobicContact CG1-CE3 4.35Å; V252-W485 HydrophobicContact CG1-CG 3.48Å; V252-W485 VanDerWaalsContact CG1-CG 3.48Å; V252-W485 HydrophobicContact CG2-CB 4.45Å; V252-W485 HydrophobicContact CG2-CD2 4.04Å; V252-W485 HydrophobicContact CG2-CE3 3.77Å; V252-W485 HydrophobicContact CG2-CG 4.34Å; V252-W485 HydrophobicContact CG2-CZ3 4.45Å; V252-A502 HydrophobicContact CG1-CB 3.68Å
253	A	98.7	Very high	97.6	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.008	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-30	176	0	0	0	0	0	112.7	L249 P250 P251 R451 W485	L249-A253 HydrophobicContact CD1-CB 3.7Å; P250-A253 HydrophobicContact CG-CB 3.99Å; P250-A253 WeakPolarHBondContact O-CB 3.36Å; P250-A253 PolarHBondContact O-N 2.98Å; P251-A253 PolarHBondContact O-N 3.25Å; A253-R451 PolarHBondContact O-NH2 2.76Å; A253-W485 HydrophobicContact CB-CZ2 3.6Å
254	Y	98.8	Very high	97.6	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.008	21%	0.21	C	C	.	.			trans	-70.2	130	-176.3	-169.7	-93.9	0	0	0	112.6	V245 L249 P251 W257 P274 Y275 G333 E334 P456	V245-Y254 HydrophobicContact CG1-CD2 4.37Å; V245-Y254 HydrophobicContact CG1-CE2 4.41Å; V245-Y254 HydrophobicContact CG2-CE2 3.96Å; L249-Y254 HydrophobicContact CD2-CD2 3.91Å; P251-Y254 PolarHBondContact O-N 2.75Å; Y254-W257 AromaticContact CZ-NE1 3.9Å; Y254-W257 PolarHBondContact OH-NE1 3.23Å; Y254-P274 WeakPolarHBondContact CE1-O 3.35Å; Y254-Y275 AromaticContact CD1-CD1 3.71Å; Y254-Y275 HydrophobicContact CD1-CD1 3.71Å; Y254-Y275 AromaticContact CD1-CE1 3.59Å; Y254-Y275 HydrophobicContact CD1-CE1 3.59Å; Y254-Y275 HydrophobicContact CD2-CD1 4.23Å; Y254-Y275 HydrophobicContact CD2-CE1 4.28Å; Y254-Y275 AromaticContact CE1-CD1 3.53Å; Y254-Y275 HydrophobicContact CE1-CD1 3.53Å; Y254-Y275 AromaticContact CE1-CE1 3.94Å; Y254-Y275 HydrophobicContact CE1-CE1 3.94Å; Y254-Y275 HydrophobicContact CE1-CG 4.47Å; Y254-Y275 HydrophobicContact CE2-CD1 4.08Å; Y254-Y275 HydrophobicContact CG-CD1 4.06Å; Y254-Y275 AromaticContact CG-CE1 3.78Å; Y254-Y275 HydrophobicContact CG-CE1 3.78Å; Y254-Y275 AromaticContact CZ-CD1 3.75Å; Y254-G333 PolarHBondContact OH-O 2.62Å; Y254-E334 WeakPolarHBondContact CA-OE1 3.44Å; Y254-E334 HydrophobicContact CD2-CG 3.8Å; Y254-E334 HydrophobicContact CE2-CG 3.58Å; Y254-P456 HydrophobicContact CD1-CG 4.06Å
255	N	98.4	Very high	97.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.182	C	C	.	.			trans	-99.7	132.4	172.3	82.3	-88.5	0	0	0	111.1	W257 E334 W335 K337 D461	N255-W257 VanDerWaalsContact C-N 3.32Å; N255-W257 VanDerWaalsContact O-CD1 3.23Å; N255-W257 PolarHBondContact O-N 3.41Å; N255-E334 VanDerWaalsContact OD1-CD 3.27Å; N255-E334 PolarHBondContact OD1-OE2 3.34Å; N255-E334 VanDerWaalsContact OD1-OE2 3.06Å; N255-W335 PolarHBondContact ND2-O 3.17Å; N255-K337 PolarHBondContact ND2-O 2.84Å; N255-K337 PolarHBondContact OD1-O 3.34Å; N255-D461 VanDerWaalsContact CB-OD1 3.31Å; N255-D461 WeakPolarHBondContact CB-OD1 3.46Å; N255-D461 PolarHBondContact ND2-OD1 2.95Å
256	P	98.4	Very high	97.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.167	C	C	.	.			trans	-84.2	3.3	-172.9	33	-37.1	0	0	0	115.5	T258 R261 F273 P274 P456 D461	P256-T258 HydrophobicContact CB-CG2 4.35Å; P256-T258 HydrophobicContact CG-CG2 3.96Å; P256-T258 PolarHBondContact O-N 3.48Å; P256-T258 VanDerWaalsContact O-N 3.14Å; P256-R261 PolarHBondContact O-NE 3.14Å; P256-F273 HydrophobicContact CB-CD2 4.35Å; P256-F273 HydrophobicContact CB-CE2 3.57Å; P256-F273 HydrophobicContact CB-CZ 4Å; P256-F273 HydrophobicContact CG-CE2 4.18Å; P256-F273 HydrophobicContact CG-CZ 4.41Å; P256-P274 HydrophobicContact CB-CB 3.84Å; P256-P456 HydrophobicContact CB-CB 4.33Å; P256-P456 HydrophobicContact CG-CB 4.45Å; P256-D461 WeakPolarHBondContact CD-OD1 3.45Å
257	W	98	Very high	97.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.189	C	C	.	.			trans	51.2	39.8	172.9	45.8	-90.7	0	0	0	114.2	Y254 N255 D259 V260 R261 V271 I278 W335 A336 D461	Y254-W257 AromaticContact CZ-NE1 3.9Å; Y254-W257 PolarHBondContact OH-NE1 3.23Å; N255-W257 VanDerWaalsContact C-N 3.32Å; N255-W257 VanDerWaalsContact O-CD1 3.23Å; N255-W257 PolarHBondContact O-N 3.41Å; W257-D259 PolarHBondContact O-N 2.91Å; W257-D259 VanDerWaalsContact O-N 3.15Å; W257-V260 HydrophobicContact CE3-CB 4.31Å; W257-V260 HydrophobicContact CE3-CG1 4.26Å; W257-V260 PolarHBondContact O-N 3.43Å; W257-V260 VanDerWaalsContact O-N 3.15Å; W257-R261 HydrophobicContact CD2-CG 4.41Å; W257-R261 VanDerWaalsContact CE2-NH2 3.27Å; W257-R261 HydrophobicContact CE3-CG 3.39Å; W257-R261 VanDerWaalsContact CE3-NE 3.33Å; W257-R261 HydrophobicContact CH2-CG 4.31Å; W257-R261 HydrophobicContact CZ3-CG 3.31Å; W257-R261 VanDerWaalsContact CZ3-NE 3.31Å; W257-R261 PolarHBondContact O-N 3.44Å; W257-V271 HydrophobicContact CH2-CB 4.3Å; W257-V271 HydrophobicContact CH2-CG1 3.66Å; W257-V271 HydrophobicContact CZ2-CG1 4.4Å; W257-I278 HydrophobicContact CE3-CD1 4.49Å; W257-I278 HydrophobicContact CH2-CD1 3.99Å; W257-I278 HydrophobicContact CH2-CG1 3.62Å; W257-I278 HydrophobicContact CZ2-CG1 4.21Å; W257-I278 HydrophobicContact CZ3-CD1 3.92Å; W257-I278 HydrophobicContact CZ3-CG1 4.04Å; W257-W335 HydrophobicContact CB-CB 3.91Å; W257-W335 WeakPolarHBondContact CB-O 3.41Å; W257-W335 HydrophobicContact CD2-CB 4.23Å; W257-W335 HydrophobicContact CD2-CG 4.44Å; W257-W335 AromaticContact CE2-CD1 3.82Å; W257-W335 HydrophobicContact CG-CB 3.86Å; W257-W335 HydrophobicContact CG-CG 4.47Å; W257-W335 AromaticContact NE1-CD1 3.96Å; W257-A336 HydrophobicContact CB-CB 4.45Å; W257-D461 WeakPolarHBondContact CA-OD2 3.14Å; W257-D461 PolarHBondContact N-OD1 3.08Å; W257-D461 PolarHBondContact N-OD2 3.33Å
258	T	97.4	Very high	97.5	Very high	22 Å²	22	36.1 Å²	36.1	14%	0.135	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-30.4	-179.6	58.6	0	0	0	0	114.1	P256 R261 K262 F273 N458 D461	P256-T258 HydrophobicContact CB-CG2 4.35Å; P256-T258 HydrophobicContact CG-CG2 3.96Å; P256-T258 PolarHBondContact O-N 3.48Å; P256-T258 VanDerWaalsContact O-N 3.14Å; T258-R261 PolarHBondContact O-N 2.84Å; T258-K262 WeakPolarHBondContact O-CG 3.35Å; T258-K262 PolarHBondContact O-N 3.06Å; T258-F273 HydrophobicContact CG2-CE2 4.12Å; T258-N458 WeakPolarHBondContact CG2-O 2.96Å; T258-D461 VanDerWaalsContact CB-OD2 3.3Å; T258-D461 WeakPolarHBondContact CB-OD2 3.39Å; T258-D461 WeakPolarHBondContact CG2-OD2 3.25Å; T258-D461 PolarHBondContact N-OD2 2.89Å; T258-D461 PolarHBondContact OG1-OD2 3.3Å
259	D	94.4	Very high	97.6	Very high	34 Å²	34	35.3 Å²	35.3	18%	0.182	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-51.4	177.6	-157.8	35.7	0	0	0	110.1	I220 W257 R261 K262 R263	I220-D259 HydrophobicContact CD1-CB 4.45Å; I220-D259 WeakPolarHBondContact CD1-OD2 3.32Å; W257-D259 PolarHBondContact O-N 2.91Å; W257-D259 VanDerWaalsContact O-N 3.15Å; D259-R261 PolarHBondContact O-N 3.35Å; D259-R261 VanDerWaalsContact O-N 3.17Å; D259-K262 WeakPolarHBondContact O-CB 3.3Å; D259-K262 PolarHBondContact O-N 3.17Å; D259-R263 WeakPolarHBondContact O-CD 3.37Å; D259-R263 PolarHBondContact O-NH1 3.06Å; D259-R263 IonicContact OD1-CZ 2.59Å; D259-R263 IonicContact OD1-NH1 3.23Å; D259-R263 PolarHBondContact OD1-NH1 3.37Å; D259-R263 IonicContact OD1-NH2 3.84Å; D259-R263 IonicContact OD2-CZ 3.17Å; D259-R263 IonicContact OD2-NH1 2.73Å; D259-R263 PolarHBondContact OD2-NH1 3.43Å; D259-R263 IonicContact OD2-NH2 3.76Å; D259-R263 PolarHBondContact OD2-NH2 2.93Å
260	V	96.6	Very high	97.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-53.4	-41.2	176.3	169.1	0	0	0	0	111.7	L172 I220 W257 K262 R263 V266 W327 A336	L172-V260 HydrophobicContact CD2-CG1 3.91Å; I220-V260 HydrophobicContact CD1-CG2 3.99Å; W257-V260 HydrophobicContact CE3-CB 4.31Å; W257-V260 HydrophobicContact CE3-CG1 4.26Å; W257-V260 PolarHBondContact O-N 3.43Å; W257-V260 VanDerWaalsContact O-N 3.15Å; V260-K262 PolarHBondContact O-N 2.68Å; V260-K262 VanDerWaalsContact O-N 3.13Å; V260-R263 PolarHBondContact O-N 3.31Å; V260-V266 HydrophobicContact CG1-CG1 4.33Å; V260-V266 HydrophobicContact CG1-CG2 4.16Å; V260-V266 WeakPolarHBondContact O-CG2 3.5Å; V260-W327 HydrophobicContact CG2-CZ2 4.18Å; V260-A336 HydrophobicContact CG2-CB 4.1Å
261	R	97.5	Very high	97.5	Very high	36 Å²	36	41.9 Å²	41.9	14%	0.136	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-63.2	-16.3	179	-62.1	175.5	-178.2	-93.4	9	115.3	P256 W257 T258 D259 R263 Q267 V271 S272 P274	P256-R261 PolarHBondContact O-NE 3.14Å; W257-R261 HydrophobicContact CD2-CG 4.41Å; W257-R261 VanDerWaalsContact CE2-NH2 3.27Å; W257-R261 HydrophobicContact CE3-CG 3.39Å; W257-R261 VanDerWaalsContact CE3-NE 3.33Å; W257-R261 HydrophobicContact CH2-CG 4.31Å; W257-R261 HydrophobicContact CZ3-CG 3.31Å; W257-R261 VanDerWaalsContact CZ3-NE 3.31Å; W257-R261 PolarHBondContact O-N 3.44Å; T258-R261 PolarHBondContact O-N 2.84Å; D259-R261 PolarHBondContact O-N 3.35Å; D259-R261 VanDerWaalsContact O-N 3.17Å; R261-R263 VanDerWaalsContact C-N 3.34Å; R261-Q267 WeakPolarHBondContact O-CG 3.44Å; R261-V271 PolarHBondContact NH1-O 3.46Å; R261-V271 VanDerWaalsContact NH1-O 3.15Å; R261-S272 PolarHBondContact NH1-O 2.67Å; R261-S272 PolarHBondContact NH2-O 2.87Å; R261-P274 PolarHBondContact NH2-O 3.38Å
262	K	95.9	Very high	97.4	Very high	132 Å²	132	42.2 Å²	42.2	57%	0.574	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-79.6	-13	-179.5	-69.1	168.4	-170.7	170.8	0	113.8	T258 D259 V260 Q267	T258-K262 WeakPolarHBondContact O-CG 3.35Å; T258-K262 PolarHBondContact O-N 3.06Å; D259-K262 WeakPolarHBondContact O-CB 3.3Å; D259-K262 PolarHBondContact O-N 3.17Å; V260-K262 PolarHBondContact O-N 2.68Å; V260-K262 VanDerWaalsContact O-N 3.13Å; K262-Q267 PolarHBondContact O-NE2 2.91Å
263	R	97	Very high	97.4	Very high	34 Å²	34	46.3 Å²	46.3	13%	0.128	23%	0.227	C	C	.	.	S	Bend	trans	-81	143.7	-175.5	-76.3	62.3	170.1	164.2	-4	110.6	L172 D259 V260 R261 D265 V266 Q267	L172-R263 HydrophobicContact CB-CB 3.85Å; L172-R263 HydrophobicContact CB-CG 3.9Å; D259-R263 WeakPolarHBondContact O-CD 3.37Å; D259-R263 PolarHBondContact O-NH1 3.06Å; D259-R263 IonicContact OD1-CZ 2.59Å; D259-R263 IonicContact OD1-NH1 3.23Å; D259-R263 PolarHBondContact OD1-NH1 3.37Å; D259-R263 IonicContact OD1-NH2 3.84Å; D259-R263 IonicContact OD2-CZ 3.17Å; D259-R263 IonicContact OD2-NH1 2.73Å; D259-R263 PolarHBondContact OD2-NH1 3.43Å; D259-R263 IonicContact OD2-NH2 3.76Å; D259-R263 PolarHBondContact OD2-NH2 2.93Å; V260-R263 PolarHBondContact O-N 3.31Å; R261-R263 VanDerWaalsContact C-N 3.34Å; R263-D265 WeakPolarHBondContact CB-OD1 3.4Å; R263-D265 PolarHBondContact O-N 3.34Å; R263-V266 HydrophobicContact CB-CG2 4.21Å; R263-V266 PolarHBondContact O-N 3.05Å; R263-V266 VanDerWaalsContact O-N 3.11Å; R263-Q267 WeakPolarHBondContact O-CG 3.31Å; R263-Q267 PolarHBondContact O-N 3.27Å
264	E	97	Very high	97.3	Very high	42 Å²	42	47.2 Å²	47.2	20%	0.196	23%	0.233	C	C	.	.	H	α-helix	trans	-59.7	-44.1	-168.5	-71.9	-177	-134.8	0	0	112.9	K159 H169 A170 Q267 K268	K159-E264 VanDerWaalsContact CE-OE1 3.27Å; K159-E264 WeakPolarHBondContact CE-OE1 3.24Å; K159-E264 IonicContact NZ-OE1 3.88Å; H169-E264 IonicContact CE1-OE2 3.18Å; H169-E264 IonicContact CG-OE2 3.24Å; H169-E264 IonicContact ND1-OE2 2.75Å; H169-E264 PolarHBondContact ND1-OE2 3.42Å; A170-E264 PolarHBondContact N-OE1 2.82Å; A170-E264 PolarHBondContact O-N 2.86Å; A170-E264 VanDerWaalsContact O-N 3.12Å; E264-Q267 PolarHBondContact O-N 3.32Å; E264-K268 VanDerWaalsContact O-CG 3.28Å; E264-K268 WeakPolarHBondContact O-CG 3.49Å; E264-K268 PolarHBondContact O-N 3Å; E264-K268 VanDerWaalsContact O-N 3.13Å
265	D	97	Very high	97.3	Very high	17 Å²	17	51.4 Å²	51.4	9%	0.091	25%	0.249	C	C	.	.	H	α-helix	trans	-62.2	-39	175.7	53.9	-11.7	0	0	0	112.8	N171 L172 L173 R263 L269 F282	N171-D265 WeakPolarHBondContact CA-OD1 3.36Å; N171-D265 HydrophobicContact CB-CB 4.22Å; N171-D265 WeakPolarHBondContact CB-OD2 3.47Å; N171-D265 PolarHBondContact OD1-N 3.12Å; L172-D265 VanDerWaalsContact N-CG 3.3Å; L172-D265 PolarHBondContact N-OD1 2.91Å; L172-D265 PolarHBondContact N-OD2 3.37Å; L173-D265 PolarHBondContact N-OD2 3.02Å; R263-D265 WeakPolarHBondContact CB-OD1 3.4Å; R263-D265 PolarHBondContact O-N 3.34Å; D265-L269 WeakPolarHBondContact O-CG 3.41Å; D265-F282 HydrophobicContact CB-CE2 4.26Å; D265-F282 HydrophobicContact CB-CZ 4.25Å
266	V	97.6	Very high	97.2	Very high	4 Å²	4	52 Å²	52	2%	0.024	26%	0.256	C	S	.	.	H	α-helix	trans	-71.9	-39.9	176.1	-173.6	0	0	0	0	111.7	L172 V260 R263 K268 L269 F282	L172-V266 HydrophobicContact CB-CG2 3.98Å; L172-V266 HydrophobicContact CD2-CG2 3.81Å; V260-V266 HydrophobicContact CG1-CG1 4.33Å; V260-V266 HydrophobicContact CG1-CG2 4.16Å; V260-V266 WeakPolarHBondContact O-CG2 3.5Å; R263-V266 HydrophobicContact CB-CG2 4.21Å; R263-V266 PolarHBondContact O-N 3.05Å; R263-V266 VanDerWaalsContact O-N 3.11Å; V266-K268 VanDerWaalsContact C-N 3.29Å; V266-K268 PolarHBondContact O-N 2.83Å; V266-L269 WeakPolarHBondContact O-CB 3.32Å; V266-L269 PolarHBondContact O-N 3.07Å; V266-F282 HydrophobicContact CG2-CE1 3.83Å; V266-F282 HydrophobicContact CG2-CZ 3.94Å
267	Q	97.5	Very high	97.1	Very high	118 Å²	118	56.4 Å²	56.4	55%	0.551	28%	0.284	S	S	*	.	H	α-helix	trans	-60.1	-40	176.8	-73.8	179.7	-11.9	0	0	111.9	R261 K262 R263 E264 L269 N270	R261-Q267 WeakPolarHBondContact O-CG 3.44Å; K262-Q267 PolarHBondContact O-NE2 2.91Å; R263-Q267 WeakPolarHBondContact O-CG 3.31Å; R263-Q267 PolarHBondContact O-N 3.27Å; E264-Q267 PolarHBondContact O-N 3.32Å; Q267-L269 PolarHBondContact O-N 2.86Å; Q267-N270 PolarHBondContact O-N 3.2Å
268	K	96.8	Very high	97.2	Very high	140 Å²	140	56.5 Å²	56.5	61%	0.609	28%	0.284	S	S	*	.	H	α-helix	trans	-60.2	-25	178	-74.1	170.1	-173.9	177.8	0	113.4	E264 V266 N270	E264-K268 VanDerWaalsContact O-CG 3.28Å; E264-K268 WeakPolarHBondContact O-CG 3.49Å; E264-K268 PolarHBondContact O-N 3Å; E264-K268 VanDerWaalsContact O-N 3.13Å; V266-K268 VanDerWaalsContact C-N 3.29Å; V266-K268 PolarHBondContact O-N 2.83Å; K268-N270 PolarHBondContact O-N 3.35Å
269	L	97.6	Very high	97.2	Very high	58 Å²	58	58.3 Å²	58.3	30%	0.304	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-14.3	178	-56.8	173.6	0	0	0	113	D265 V266 Q267 V271 P279 F282	D265-L269 WeakPolarHBondContact O-CG 3.41Å; V266-L269 WeakPolarHBondContact O-CB 3.32Å; V266-L269 PolarHBondContact O-N 3.07Å; Q267-L269 PolarHBondContact O-N 2.86Å; L269-V271 HydrophobicContact CB-CG2 3.59Å; L269-V271 HydrophobicContact CD1-CG2 4.25Å; L269-V271 PolarHBondContact O-N 3.49Å; L269-P279 HydrophobicContact CD2-CG 4.48Å; L269-F282 HydrophobicContact CD1-CB 3.94Å; L269-F282 HydrophobicContact CD1-CD1 3.56Å; L269-F282 HydrophobicContact CD1-CD2 3.71Å; L269-F282 HydrophobicContact CD1-CE1 3.92Å; L269-F282 HydrophobicContact CD1-CE2 4.05Å; L269-F282 HydrophobicContact CD1-CG 3.44Å; L269-F282 VanDerWaalsContact CD1-CG 3.44Å; L269-F282 HydrophobicContact CD1-CZ 4.14Å; L269-F282 HydrophobicContact CD2-CD2 4.24Å; L269-F282 HydrophobicContact CG-CD2 4.46Å
270	N	97.5	Very high	97.4	Very high	150 Å²	150	63.1 Å²	63.1	80%	0.802	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	43.5	-177.4	-167	34.7	0	0	0	113	Q267 K268 S272	Q267-N270 PolarHBondContact O-N 3.2Å; K268-N270 PolarHBondContact O-N 3.35Å; N270-S272 PolarHBondContact O-N 3.21Å
271	V	97.6	Very high	97.5	Very high	24 Å²	24	68.2 Å²	68.2	15%	0.145	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-68	130.5	-176.2	-173.2	0	0	0	0	110.6	W257 R261 L269 P277 I278	W257-V271 HydrophobicContact CH2-CB 4.3Å; W257-V271 HydrophobicContact CH2-CG1 3.66Å; W257-V271 HydrophobicContact CZ2-CG1 4.4Å; R261-V271 PolarHBondContact NH1-O 3.46Å; R261-V271 VanDerWaalsContact NH1-O 3.15Å; L269-V271 HydrophobicContact CB-CG2 3.59Å; L269-V271 HydrophobicContact CD1-CG2 4.25Å; L269-V271 PolarHBondContact O-N 3.49Å; V271-P277 WeakPolarHBondContact CG1-O 3.31Å; V271-I278 HydrophobicContact CG1-CG1 4.38Å; V271-I278 HydrophobicContact CG2-CG1 4.5Å
272	S	97.7	Very high	97.5	Very high	67 Å²	67	67.3 Å²	67.3	47%	0.469	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-59.1	143.8	-178.2	92.2	0	0	0	0	112.1	R261 N270 G276	R261-S272 PolarHBondContact NH1-O 2.67Å; R261-S272 PolarHBondContact NH2-O 2.87Å; N270-S272 PolarHBondContact O-N 3.21Å; S272-G276 VanDerWaalsContact O-CA 3.3Å; S272-G276 WeakPolarHBondContact O-CA 3.35Å; S272-G276 PolarHBondContact O-N 2.84Å; S272-G276 PolarHBondContact OG-N 3.33Å; S272-G276 PolarHBondContact OG-O 2.57Å
273	F	97.6	Very high	97.6	Very high	91 Å²	91	61.5 Å²	61.5	40%	0.399	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	141.7	173.1	177.5	-84.4	0	0	0	109.8	P256 T258	P256-F273 HydrophobicContact CB-CD2 4.35Å; P256-F273 HydrophobicContact CB-CE2 3.57Å; P256-F273 HydrophobicContact CB-CZ 4Å; P256-F273 HydrophobicContact CG-CE2 4.18Å; P256-F273 HydrophobicContact CG-CZ 4.41Å; T258-F273 HydrophobicContact CG2-CE2 4.12Å
274	P	97.8	Very high	97.7	Very high	21 Å²	21	63.6 Å²	63.6	14%	0.136	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	cis	-92	-12.8	-1.5	33.6	-32.6	0	0	0	114.3	Y254 P256 R261 P456	Y254-P274 WeakPolarHBondContact CE1-O 3.35Å; P256-P274 HydrophobicContact CB-CB 3.84Å; R261-P274 PolarHBondContact NH2-O 3.38Å; P274-P456 HydrophobicContact CB-CB 3.76Å; P274-P456 HydrophobicContact CB-CG 4.5Å; P274-P456 HydrophobicContact CG-CB 3.95Å; P274-P456 HydrophobicContact CG-CG 4.33Å
275	Y	97.9	Very high	97.8	Very high	90 Å²	90	66.6 Å²	66.6	35%	0.353	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-13.6	-164.2	-58.4	-68.3	0	0	0	115.5	V245 Y254 P456	V245-Y275 HydrophobicContact CG2-CD1 4.35Å; Y254-Y275 AromaticContact CD1-CD1 3.71Å; Y254-Y275 HydrophobicContact CD1-CD1 3.71Å; Y254-Y275 AromaticContact CD1-CE1 3.59Å; Y254-Y275 HydrophobicContact CD1-CE1 3.59Å; Y254-Y275 HydrophobicContact CD2-CD1 4.23Å; Y254-Y275 HydrophobicContact CD2-CE1 4.28Å; Y254-Y275 AromaticContact CE1-CD1 3.53Å; Y254-Y275 HydrophobicContact CE1-CD1 3.53Å; Y254-Y275 AromaticContact CE1-CE1 3.94Å; Y254-Y275 HydrophobicContact CE1-CE1 3.94Å; Y254-Y275 HydrophobicContact CE1-CG 4.47Å; Y254-Y275 HydrophobicContact CE2-CD1 4.08Å; Y254-Y275 HydrophobicContact CG-CD1 4.06Å; Y254-Y275 AromaticContact CG-CE1 3.78Å; Y254-Y275 HydrophobicContact CG-CE1 3.78Å; Y254-Y275 AromaticContact CZ-CD1 3.75Å; Y275-P456 HydrophobicContact CE1-CG 4.46Å
276	G	96.3	Very high	97.9	Very high	13 Å²	13	65.8 Å²	65.8	13%	0.134	33%	0.328	C	S	.	.			trans	72.5	-126.6	-174.4	0	0	0	0	0	113.4	S272	S272-G276 VanDerWaalsContact O-CA 3.3Å; S272-G276 WeakPolarHBondContact O-CA 3.35Å; S272-G276 PolarHBondContact O-N 2.84Å; S272-G276 PolarHBondContact OG-N 3.33Å; S272-G276 PolarHBondContact OG-O 2.57Å
277	P	97.1	Very high	98	Very high	92 Å²	92	66.2 Å²	66.2	60%	0.597	33%	0.329	S	S	*	.	P	Polyproline II helix	cis	-78.1	161.5	0.8	32.8	-35.9	0	0	0	112.4	V271	V271-P277 WeakPolarHBondContact CG1-O 3.31Å
278	I	98.4	Very high	98	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.005	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-65.5	138.3	166.2	-64.9	-171.8	0	0	0	108.7	W257 V271 K280 F282 Q283 I286 W335	W257-I278 HydrophobicContact CE3-CD1 4.49Å; W257-I278 HydrophobicContact CH2-CD1 3.99Å; W257-I278 HydrophobicContact CH2-CG1 3.62Å; W257-I278 HydrophobicContact CZ2-CG1 4.21Å; W257-I278 HydrophobicContact CZ3-CD1 3.92Å; W257-I278 HydrophobicContact CZ3-CG1 4.04Å; V271-I278 HydrophobicContact CG1-CG1 4.38Å; V271-I278 HydrophobicContact CG2-CG1 4.5Å; I278-K280 PolarHBondContact O-N 2.95Å; I278-F282 HydrophobicContact CG2-CB 3.9Å; I278-F282 HydrophobicContact CG2-CD1 3.76Å; I278-F282 HydrophobicContact CG2-CG 4.29Å; I278-Q283 HydrophobicContact CB-CG 3.9Å; I278-Q283 HydrophobicContact CG2-CG 3.79Å; I278-Q283 WeakPolarHBondContact O-CG 3.3Å; I278-Q283 PolarHBondContact O-NE2 2.91Å; I278-I286 HydrophobicContact CD1-CD1 3.83Å; I278-I286 HydrophobicContact CG2-CD1 4.38Å; I278-W335 HydrophobicContact CB-CZ2 4.33Å; I278-W335 HydrophobicContact CD1-CD2 3.82Å; I278-W335 HydrophobicContact CD1-CG 3.93Å; I278-W335 HydrophobicContact CD1-CZ2 4.2Å
279	P	98.4	Very high	98.1	Very high	61 Å²	61	55.6 Å²	55.6	40%	0.396	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-54.6	135.7	175.2	-27.2	35.1	0	0	0	112.7	L269 D281 F282 Q283	L269-P279 HydrophobicContact CD2-CG 4.48Å; P279-D281 VanDerWaalsContact C-N 3.27Å; P279-D281 PolarHBondContact O-N 3.41Å; P279-D281 VanDerWaalsContact O-N 3.13Å; P279-F282 WeakPolarHBondContact O-CA 3.45Å; P279-F282 WeakPolarHBondContact O-CB 3.08Å; P279-F282 PolarHBondContact O-N 3.02Å; P279-Q283 WeakPolarHBondContact O-CG 3.33Å; P279-Q283 PolarHBondContact O-N 3.12Å
280	K	98.3	Very high	98.2	Very high	135 Å²	135	52.9 Å²	52.9	59%	0.587	27%	0.268	S	S	*	.	H	α-helix	trans	-51.5	-41.2	-172.6	-69.8	-176.1	174.4	-173.3	0	113.8	L239 I278 F282 Q283 R284	L239-K280 HydrophobicContact CD1-CB 4.43Å; L239-K280 HydrophobicContact CD1-CD 3.98Å; L239-K280 HydrophobicContact CD1-CG 4.02Å; L239-K280 HydrophobicContact CD2-CB 4.35Å; I278-K280 PolarHBondContact O-N 2.95Å; K280-F282 VanDerWaalsContact C-N 3.32Å; K280-F282 PolarHBondContact O-N 2.91Å; K280-Q283 WeakPolarHBondContact O-CB 3.16Å; K280-Q283 PolarHBondContact O-N 2.66Å; K280-R284 PolarHBondContact O-N 3.17Å; K280-R284 VanDerWaalsContact O-N 3.09Å
281	D	98.1	Very high	98.2	Very high	107 Å²	107	46.2 Å²	46.2	57%	0.572	23%	0.231	S	C	*	.	H	α-helix	trans	-66.2	-36	179	-63.5	-23.2	0	0	0	112.1	P279 R284 R285	P279-D281 VanDerWaalsContact C-N 3.27Å; P279-D281 PolarHBondContact O-N 3.41Å; P279-D281 VanDerWaalsContact O-N 3.13Å; D281-R284 IonicContact OD1-NH1 3.98Å; D281-R284 PolarHBondContact OD1-NH1 3.11Å; D281-R285 WeakPolarHBondContact O-CG 3.45Å; D281-R285 PolarHBondContact O-N 2.8Å
282	F	98.5	Very high	98.3	Very high	17 Å²	17	45.1 Å²	45.1	8%	0.075	23%	0.225	C	C	.	.	H	α-helix	trans	-74	-33.3	175	-160.1	-91.3	0	0	0	111.8	L172 L173 D265 V266 L269 I278 P279 K280 R284 R285 I286	L172-F282 HydrophobicContact CD2-CE1 4.27Å; L173-F282 HydrophobicContact CD1-CD2 4.07Å; L173-F282 HydrophobicContact CD1-CE1 4.31Å; L173-F282 HydrophobicContact CD1-CE2 3.46Å; L173-F282 VanDerWaalsContact CD1-CE2 3.46Å; L173-F282 HydrophobicContact CD1-CZ 3.61Å; L173-F282 HydrophobicContact CG-CE2 4.21Å; L173-F282 HydrophobicContact CG-CZ 3.87Å; D265-F282 HydrophobicContact CB-CE2 4.26Å; D265-F282 HydrophobicContact CB-CZ 4.25Å; V266-F282 HydrophobicContact CG2-CE1 3.83Å; V266-F282 HydrophobicContact CG2-CZ 3.94Å; L269-F282 HydrophobicContact CD1-CB 3.94Å; L269-F282 HydrophobicContact CD1-CD1 3.56Å; L269-F282 HydrophobicContact CD1-CD2 3.71Å; L269-F282 HydrophobicContact CD1-CE1 3.92Å; L269-F282 HydrophobicContact CD1-CE2 4.05Å; L269-F282 HydrophobicContact CD1-CG 3.44Å; L269-F282 VanDerWaalsContact CD1-CG 3.44Å; L269-F282 HydrophobicContact CD1-CZ 4.14Å; L269-F282 HydrophobicContact CD2-CD2 4.24Å; L269-F282 HydrophobicContact CG-CD2 4.46Å; I278-F282 HydrophobicContact CG2-CB 3.9Å; I278-F282 HydrophobicContact CG2-CD1 3.76Å; I278-F282 HydrophobicContact CG2-CG 4.29Å; P279-F282 WeakPolarHBondContact O-CA 3.45Å; P279-F282 WeakPolarHBondContact O-CB 3.08Å; P279-F282 PolarHBondContact O-N 3.02Å; K280-F282 VanDerWaalsContact C-N 3.32Å; K280-F282 PolarHBondContact O-N 2.91Å; F282-R284 PolarHBondContact O-N 3.03Å; F282-R285 PolarHBondContact O-N 3.23Å; F282-I286 HydrophobicContact CD1-CD1 3.63Å; F282-I286 HydrophobicContact CD1-CG1 3.84Å; F282-I286 HydrophobicContact CE1-CD1 3.71Å; F282-I286 HydrophobicContact CE1-CG1 3.74Å; F282-I286 WeakPolarHBondContact O-CG1 3.46Å; F282-I286 PolarHBondContact O-N 2.87Å
283	Q	98.8	Very high	98.4	Very high	9 Å²	9	41.9 Å²	41.9	4%	0.042	20%	0.202	C	C	.	.	H	α-helix	trans	-57.5	-47.8	171.6	-59.7	-166.5	22.8	0	0	111.6	L239 I278 P279 K280 R285 I286 R287 W335	L239-Q283 HydrophobicContact CD2-CB 3.75Å; I278-Q283 HydrophobicContact CB-CG 3.9Å; I278-Q283 HydrophobicContact CG2-CG 3.79Å; I278-Q283 WeakPolarHBondContact O-CG 3.3Å; I278-Q283 PolarHBondContact O-NE2 2.91Å; P279-Q283 WeakPolarHBondContact O-CG 3.33Å; P279-Q283 PolarHBondContact O-N 3.12Å; K280-Q283 WeakPolarHBondContact O-CB 3.16Å; K280-Q283 PolarHBondContact O-N 2.66Å; Q283-R285 VanDerWaalsContact C-N 3.32Å; Q283-R285 PolarHBondContact O-N 2.66Å; Q283-I286 PolarHBondContact O-N 3.13Å; Q283-R287 WeakPolarHBondContact O-CG 3.41Å; Q283-R287 PolarHBondContact O-N 3Å; Q283-W335 HydrophobicContact CB-CH2 3.7Å; Q283-W335 HydrophobicContact CB-CZ2 3.93Å; Q283-W335 HydrophobicContact CG-CH2 3.86Å; Q283-W335 HydrophobicContact CG-CZ2 3.52Å
284	R	98.8	Very high	98.4	Very high	78 Å²	78	37.6 Å²	37.6	29%	0.294	18%	0.183	S	C	.	.	H	α-helix	trans	-60.1	-41.1	176.2	-68.5	-177.9	-179.8	115.2	-4.2	112	L234 M237 L239 K280 D281 F282 R287 Q288	L234-R284 HydrophobicContact CD1-CB 3.78Å; M237-R284 HydrophobicContact CB-CB 4.18Å; M237-R284 HydrophobicContact CB-CG 4.49Å; M237-R284 VanDerWaalsContact O-CD 3.3Å; M237-R284 WeakPolarHBondContact O-CD 3.39Å; M237-R284 WeakPolarHBondContact O-CG 3.37Å; M237-R284 PolarHBondContact O-NE 3.48Å; L239-R284 HydrophobicContact CD2-CG 3.88Å; K280-R284 PolarHBondContact O-N 3.17Å; K280-R284 VanDerWaalsContact O-N 3.09Å; D281-R284 IonicContact OD1-NH1 3.98Å; D281-R284 PolarHBondContact OD1-NH1 3.11Å; F282-R284 PolarHBondContact O-N 3.03Å; R284-R287 PolarHBondContact O-N 3.03Å; R284-Q288 WeakPolarHBondContact O-CB 3.5Å; R284-Q288 PolarHBondContact O-N 2.86Å
285	R	98.6	Very high	98.5	Very high	105 Å²	105	36.6 Å²	36.6	40%	0.396	18%	0.177	S	C	.	.	H	α-helix	trans	-66	-39.8	177	-68.5	176.8	-170.9	-162.3	1.5	112.8	L173 L234 D281 F282 Q283 R287 Q288 H289	L173-R285 HydrophobicContact CD1-CB 3.61Å; L234-R285 HydrophobicContact CD1-CB 4.46Å; L234-R285 HydrophobicContact CD1-CG 3.74Å; L234-R285 HydrophobicContact CD2-CG 3.88Å; D281-R285 WeakPolarHBondContact O-CG 3.45Å; D281-R285 PolarHBondContact O-N 2.8Å; F282-R285 PolarHBondContact O-N 3.23Å; Q283-R285 VanDerWaalsContact C-N 3.32Å; Q283-R285 PolarHBondContact O-N 2.66Å; R285-R287 VanDerWaalsContact C-N 3.34Å; R285-Q288 WeakPolarHBondContact O-CB 3.33Å; R285-Q288 PolarHBondContact O-N 3.48Å; R285-H289 PolarHBondContact O-N 3.15Å; R285-H289 PolarHBondContact O-ND1 3.42Å
286	I	98.8	Very high	98.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-58.1	-49.8	172.6	-68.7	167.8	0	0	0	109.6	L172 L173 F222 I278 F282 Q283 Q288 H289 Y290 W327 L329 W335	L172-I286 HydrophobicContact CD2-CD1 4.14Å; L172-I286 HydrophobicContact CD2-CG1 3.91Å; L173-I286 HydrophobicContact CD2-CG1 4.05Å; F222-I286 HydrophobicContact CE2-CG2 3.99Å; F222-I286 HydrophobicContact CZ-CG2 4.35Å; I278-I286 HydrophobicContact CD1-CD1 3.83Å; I278-I286 HydrophobicContact CG2-CD1 4.38Å; F282-I286 HydrophobicContact CD1-CD1 3.63Å; F282-I286 HydrophobicContact CD1-CG1 3.84Å; F282-I286 HydrophobicContact CE1-CD1 3.71Å; F282-I286 HydrophobicContact CE1-CG1 3.74Å; F282-I286 WeakPolarHBondContact O-CG1 3.46Å; F282-I286 PolarHBondContact O-N 2.87Å; Q283-I286 PolarHBondContact O-N 3.13Å; I286-Q288 PolarHBondContact O-N 3.49Å; I286-H289 PolarHBondContact O-N 3.17Å; I286-Y290 PolarHBondContact O-N 3.34Å; I286-W327 HydrophobicContact CG2-CH2 3.8Å; I286-W327 HydrophobicContact CG2-CZ3 3.96Å; I286-L329 HydrophobicContact CG2-CD2 4.32Å; I286-W335 HydrophobicContact CB-CH2 4.46Å; I286-W335 HydrophobicContact CB-CZ3 3.83Å; I286-W335 HydrophobicContact CD1-CD2 4.41Å; I286-W335 HydrophobicContact CD1-CE3 3.9Å; I286-W335 HydrophobicContact CD1-CH2 4.13Å; I286-W335 HydrophobicContact CD1-CZ3 3.74Å; I286-W335 HydrophobicContact CG1-CZ3 4.41Å; I286-W335 HydrophobicContact CG2-CE3 3.86Å; I286-W335 HydrophobicContact CG2-CZ3 3.47Å; I286-W335 VanDerWaalsContact CG2-CZ3 3.47Å
287	R	98.8	Very high	98.6	Very high	13 Å²	13	31.8 Å²	31.8	5%	0.049	15%	0.154	C	C	.	.	H	α-helix	trans	-58.5	-48.4	178.2	-68.6	171.8	64.2	79.9	5.4	111.2	M237 P238 Q283 R284 R285 H289 Y290 Y291 L329	M237-R287 HydrophobicContact CE-CB 3.78Å; P238-R287 VanDerWaalsContact O-CD 3.3Å; P238-R287 WeakPolarHBondContact O-CD 3.25Å; P238-R287 PolarHBondContact O-NE 2.9Å; Q283-R287 WeakPolarHBondContact O-CG 3.41Å; Q283-R287 PolarHBondContact O-N 3Å; R284-R287 PolarHBondContact O-N 3.03Å; R285-R287 VanDerWaalsContact C-N 3.34Å; R287-H289 VanDerWaalsContact C-N 3.3Å; R287-H289 PolarHBondContact O-N 2.99Å; R287-Y290 PolarHBondContact O-N 3.08Å; R287-Y290 VanDerWaalsContact O-N 3.16Å; R287-Y291 VanDerWaalsContact O-CD2 3.24Å; R287-Y291 WeakPolarHBondContact O-CD2 3.27Å; R287-Y291 PolarHBondContact O-N 2.96Å; R287-L329 HydrophobicContact CG-CB 4.12Å; R287-L329 HydrophobicContact CG-CD2 4.18Å; R287-L329 PolarHBondContact NH1-O 2.96Å
288	Q	98.8	Very high	98.7	Very high	20 Å²	20	27.4 Å²	27.4	9%	0.093	13%	0.125	C	C	.	.	H	α-helix	trans	-53.4	-47.7	177.3	-170.1	-167	30.3	0	0	111.6	L229 Y232 M237 R284 R285 I286 A292	L229-Q288 HydrophobicContact CD2-CG 4.08Å; Y232-Q288 WeakPolarHBondContact O-CG 3.33Å; Y232-Q288 PolarHBondContact O-NE2 3.43Å; M237-Q288 HydrophobicContact CE-CB 4.38Å; M237-Q288 HydrophobicContact CG-CB 4.07Å; M237-Q288 HydrophobicContact CG-CG 4.31Å; M237-Q288 HydrophobicContact SD-CB 4.43Å; R284-Q288 WeakPolarHBondContact O-CB 3.5Å; R284-Q288 PolarHBondContact O-N 2.86Å; R285-Q288 WeakPolarHBondContact O-CB 3.33Å; R285-Q288 PolarHBondContact O-N 3.48Å; I286-Q288 PolarHBondContact O-N 3.49Å; Q288-A292 VanDerWaalsContact O-CB 3.26Å; Q288-A292 WeakPolarHBondContact O-CB 3.47Å; Q288-A292 PolarHBondContact O-N 3.12Å
289	H	98.8	Very high	98.7	Very high	16 Å²	16	27.5 Å²	27.5	7%	0.074	13%	0.126	C	C	.	.	H	α-helix	trans	-70.2	-35.9	-179.2	-77.5	69.1	0	0	0	112.6	L173 F222 R285 I286 R287 A293	L173-H289 HydrophobicContact CD2-CB 4.05Å; F222-H289 HydrophobicContact CB-CB 3.68Å; F222-H289 HydrophobicContact CD2-CB 3.83Å; F222-H289 HydrophobicContact CG-CB 3.82Å; R285-H289 PolarHBondContact O-N 3.15Å; R285-H289 PolarHBondContact O-ND1 3.42Å; I286-H289 PolarHBondContact O-N 3.17Å; R287-H289 VanDerWaalsContact C-N 3.3Å; R287-H289 PolarHBondContact O-N 2.99Å; H289-A293 VanDerWaalsContact O-CB 3.25Å; H289-A293 WeakPolarHBondContact O-CB 3.38Å; H289-A293 PolarHBondContact O-N 3.15Å
290	Y	98.9	Very high	98.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-62.3	-51.7	173.8	-173.5	-82.3	0	0	0	110.7	D36 L37 R38 P218 F222 I286 R287 A292 A293 V294 W327 L329	D36-Y290 PolarHBondContact O-OH 2.98Å; L37-Y290 WeakPolarHBondContact CA-OH 3.28Å; R38-Y290 HydrophobicContact CG-CE1 4.13Å; R38-Y290 PolarHBondContact N-OH 3.3Å; P218-Y290 HydrophobicContact CB-CD2 3.97Å; P218-Y290 HydrophobicContact CB-CE1 4.46Å; P218-Y290 HydrophobicContact CB-CE2 3.72Å; P218-Y290 HydrophobicContact CB-CG 4.42Å; P218-Y290 HydrophobicContact CG-CD2 4.36Å; P218-Y290 HydrophobicContact CG-CE1 4.24Å; P218-Y290 HydrophobicContact CG-CE2 3.61Å; P218-Y290 WeakPolarHBondContact CG-OH 3.43Å; F222-Y290 AromaticContact CE1-CD2 3.69Å; F222-Y290 HydrophobicContact CE1-CD2 3.69Å; F222-Y290 HydrophobicContact CE1-CG 4.3Å; F222-Y290 HydrophobicContact CZ-CD2 4.03Å; I286-Y290 PolarHBondContact O-N 3.34Å; R287-Y290 PolarHBondContact O-N 3.08Å; R287-Y290 VanDerWaalsContact O-N 3.16Å; Y290-A292 PolarHBondContact O-N 3.42Å; Y290-A293 WeakPolarHBondContact O-CB 3.2Å; Y290-A293 PolarHBondContact O-N 3.25Å; Y290-A293 VanDerWaalsContact O-N 3.12Å; Y290-V294 HydrophobicContact CD1-CG2 3.98Å; Y290-V294 HydrophobicContact CE1-CG2 3.71Å; Y290-V294 WeakPolarHBondContact O-CG2 3.14Å; Y290-V294 PolarHBondContact O-N 2.81Å; Y290-W327 HydrophobicContact CD2-CD2 4.2Å; Y290-W327 AromaticContact CD2-CE3 3.96Å; Y290-W327 HydrophobicContact CD2-CE3 3.96Å; Y290-W327 HydrophobicContact CE2-CB 3.81Å; Y290-W327 HydrophobicContact CE2-CD2 4.02Å; Y290-W327 HydrophobicContact CE2-CE3 4.08Å; Y290-W327 AromaticContact CE2-CG 3.95Å; Y290-W327 HydrophobicContact CE2-CG 3.95Å; Y290-L329 HydrophobicContact CD1-CD1 3.72Å; Y290-L329 HydrophobicContact CD1-CD2 4.16Å; Y290-L329 HydrophobicContact CD1-CG 4.44Å; Y290-L329 HydrophobicContact CD2-CD2 3.84Å; Y290-L329 HydrophobicContact CE1-CD1 4.04Å; Y290-L329 HydrophobicContact CG-CD1 4.04Å; Y290-L329 HydrophobicContact CG-CD2 3.58Å; Y290-L329 HydrophobicContact CG-CG 4.29Å
291	Y	98.9	Very high	98.8	Very high	11 Å²	11	18.4 Å²	18.4	4%	0.043	8%	0.081	C	C	.	.	H	α-helix	trans	-62.4	-42.1	178.9	-81.9	-76.7	0	0	0	112.3	D46 L48 A49 Y232 M237 R287 A293 V294 S295 L329	D46-Y291 VanDerWaalsContact OD2-CE1 3.28Å; D46-Y291 WeakPolarHBondContact OD2-CE1 3.09Å; D46-Y291 PolarHBondContact OD2-OH 2.94Å; L48-Y291 HydrophobicContact CB-CE1 4.07Å; L48-Y291 HydrophobicContact CD2-CD1 4.45Å; L48-Y291 HydrophobicContact CD2-CD2 3.81Å; L48-Y291 HydrophobicContact CD2-CE1 4.15Å; L48-Y291 HydrophobicContact CD2-CE2 3.5Å; L48-Y291 HydrophobicContact CD2-CG 4.3Å; L48-Y291 HydrophobicContact CG-CD1 4.2Å; L48-Y291 HydrophobicContact CG-CD2 4.36Å; L48-Y291 HydrophobicContact CG-CE1 4.05Å; L48-Y291 HydrophobicContact CG-CE2 4.26Å; L48-Y291 HydrophobicContact CG-CG 4.35Å; A49-Y291 HydrophobicContact CB-CD1 4.42Å; A49-Y291 HydrophobicContact CB-CE1 4.23Å; Y232-Y291 HydrophobicContact CE1-CD1 4.36Å; Y232-Y291 HydrophobicContact CE1-CG 4.23Å; Y232-Y291 VanDerWaalsContact CE2-C 3.43Å; M237-Y291 HydrophobicContact CE-CD2 3.86Å; M237-Y291 HydrophobicContact CE-CE2 4.41Å; R287-Y291 VanDerWaalsContact O-CD2 3.24Å; R287-Y291 WeakPolarHBondContact O-CD2 3.27Å; R287-Y291 PolarHBondContact O-N 2.96Å; Y291-A293 VanDerWaalsContact C-N 3.3Å; Y291-A293 PolarHBondContact O-N 3.47Å; Y291-V294 WeakPolarHBondContact O-CB 3.14Å; Y291-V294 PolarHBondContact O-N 3.44Å; Y291-V294 VanDerWaalsContact O-N 3.12Å; Y291-S295 PolarHBondContact O-N 2.93Å; Y291-S295 PolarHBondContact O-OG 3.13Å; Y291-L329 HydrophobicContact CE2-CD1 4.34Å
292	A	98.9	Very high	98.8	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-61.5	-37.3	173.2	0	0	0	0	0	112.6	I224 L229 Y232 Q288 Y290 S295 Y296	I224-A292 HydrophobicContact CD1-CB 3.43Å; I224-A292 VanDerWaalsContact CD1-CB 3.43Å; L229-A292 HydrophobicContact CD2-CB 3.88Å; Y232-A292 HydrophobicContact CD2-CB 3.97Å; Y232-A292 HydrophobicContact CE2-CB 4.31Å; Q288-A292 VanDerWaalsContact O-CB 3.26Å; Q288-A292 WeakPolarHBondContact O-CB 3.47Å; Q288-A292 PolarHBondContact O-N 3.12Å; Y290-A292 PolarHBondContact O-N 3.42Å; A292-S295 PolarHBondContact O-N 3.12Å; A292-Y296 WeakPolarHBondContact O-CB 3.43Å; A292-Y296 PolarHBondContact O-N 2.79Å
293	A	98.9	Very high	98.8	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-66.4	-36	173.8	0	0	0	0	0	112.6	K217 P218 F222 I224 H289 Y290 Y291 M297	K217-A293 HydrophobicContact CB-CB 4.29Å; P218-A293 HydrophobicContact CB-CB 3.93Å; F222-A293 HydrophobicContact CD1-CB 4.37Å; I224-A293 HydrophobicContact CG2-CB 3.65Å; H289-A293 VanDerWaalsContact O-CB 3.25Å; H289-A293 WeakPolarHBondContact O-CB 3.38Å; H289-A293 PolarHBondContact O-N 3.15Å; Y290-A293 WeakPolarHBondContact O-CB 3.2Å; Y290-A293 PolarHBondContact O-N 3.25Å; Y290-A293 VanDerWaalsContact O-N 3.12Å; Y291-A293 VanDerWaalsContact C-N 3.3Å; Y291-A293 PolarHBondContact O-N 3.47Å; A293-M297 WeakPolarHBondContact O-CB 3.25Å; A293-M297 PolarHBondContact O-N 3.41Å
294	V	98.9	Very high	98.8	Very high	0 Å²	0	16 Å²	16	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-64	-48.1	173.3	174.6	0	0	0	0	110.8	L37 L41 P218 Y290 Y291 Y296 M297 D298	L37-V294 HydrophobicContact CD1-CG1 4.25Å; L37-V294 HydrophobicContact CD1-CG2 3.77Å; L41-V294 HydrophobicContact CD2-CG1 3.91Å; P218-V294 HydrophobicContact CB-CG2 4.2Å; P218-V294 HydrophobicContact CG-CG2 4.16Å; Y290-V294 HydrophobicContact CD1-CG2 3.98Å; Y290-V294 HydrophobicContact CE1-CG2 3.71Å; Y290-V294 WeakPolarHBondContact O-CG2 3.14Å; Y290-V294 PolarHBondContact O-N 2.81Å; Y291-V294 WeakPolarHBondContact O-CB 3.14Å; Y291-V294 PolarHBondContact O-N 3.44Å; Y291-V294 VanDerWaalsContact O-N 3.12Å; V294-Y296 VanDerWaalsContact C-N 3.32Å; V294-Y296 PolarHBondContact O-N 3.41Å; V294-M297 HydrophobicContact CG1-CE 4.35Å; V294-M297 PolarHBondContact O-N 3.18Å; V294-D298 WeakPolarHBondContact O-CB 3.46Å; V294-D298 PolarHBondContact O-N 3.17Å
295	S	98.9	Very high	98.8	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-63.6	-35.9	176.9	-61.6	0	0	0	0	113.4	K50 Y232 Y291 A292 D298 A299	K50-S295 WeakPolarHBondContact O-CB 3.4Å; K50-S295 PolarHBondContact O-OG 2.81Å; Y232-S295 PolarHBondContact OH-OG 3.14Å; Y291-S295 PolarHBondContact O-N 2.93Å; Y291-S295 PolarHBondContact O-OG 3.13Å; A292-S295 PolarHBondContact O-N 3.12Å; S295-D298 PolarHBondContact O-N 3.4Å; S295-A299 PolarHBondContact O-N 3Å; S295-A299 VanDerWaalsContact O-N 3.11Å
296	Y	98.9	Very high	98.8	Very high	2 Å²	2	8.9 Å²	8.9	1%	0.008	4%	0.041	C	C	.	.	H	α-helix	trans	-62.7	-45.5	173.2	162	-117.8	0	0	0	112.1	D188 L189 K217 I224 P225 Y228 A292 V294 A299 Q300	D188-Y296 HydrophobicContact CB-CE1 4.05Å; D188-Y296 WeakPolarHBondContact CB-OH 3.37Å; L189-Y296 HydrophobicContact CD2-CE2 4.21Å; L189-Y296 HydrophobicContact CG-CE2 4.23Å; L189-Y296 PolarHBondContact N-OH 2.81Å; K217-Y296 HydrophobicContact CB-CD1 4.29Å; K217-Y296 HydrophobicContact CB-CE1 4.48Å; K217-Y296 HydrophobicContact CG-CD1 3.92Å; K217-Y296 HydrophobicContact CG-CE1 3.84Å; I224-Y296 HydrophobicContact CG2-CD1 4.24Å; P225-Y296 HydrophobicContact CG-CD2 3.74Å; P225-Y296 HydrophobicContact CG-CE2 3.83Å; P225-Y296 HydrophobicContact CG-CG 4.35Å; Y228-Y296 HydrophobicContact CD2-CD2 4.42Å; Y228-Y296 VanDerWaalsContact CE1-CA 3.47Å; Y228-Y296 AromaticContact CE2-CD2 3.79Å; Y228-Y296 HydrophobicContact CE2-CD2 3.79Å; Y228-Y296 HydrophobicContact CE2-CG 4.3Å; A292-Y296 WeakPolarHBondContact O-CB 3.43Å; A292-Y296 PolarHBondContact O-N 2.79Å; V294-Y296 VanDerWaalsContact C-N 3.32Å; V294-Y296 PolarHBondContact O-N 3.41Å; Y296-A299 PolarHBondContact O-N 3.13Å; Y296-Q300 HydrophobicContact CE2-CG 4.14Å; Y296-Q300 PolarHBondContact O-N 3.29Å; Y296-Q300 PolarHBondContact O-NE2 2.91Å
297	M	98.8	Very high	98.8	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-66.4	-38.9	176	177.7	-78.5	-53.3	0	0	111.6	L37 I54 F215 K217 A293 V294 A299 Q300 V301 F321	L37-M297 HydrophobicContact CD1-CE 4.28Å; L37-M297 HydrophobicContact CD2-CE 3.78Å; I54-M297 HydrophobicContact CD1-CE 3.65Å; I54-M297 HydrophobicContact CD1-SD 4.03Å; F215-M297 HydrophobicContact CB-CG 4.01Å; F215-M297 HydrophobicContact CD2-CG 4.14Å; F215-M297 HydrophobicContact CD2-SD 4.33Å; F215-M297 HydrophobicContact CG-CG 4.15Å; K217-M297 HydrophobicContact CB-CB 4.46Å; A293-M297 WeakPolarHBondContact O-CB 3.25Å; A293-M297 PolarHBondContact O-N 3.41Å; V294-M297 HydrophobicContact CG1-CE 4.35Å; V294-M297 PolarHBondContact O-N 3.18Å; M297-A299 VanDerWaalsContact C-N 3.32Å; M297-A299 PolarHBondContact O-N 2.9Å; M297-Q300 WeakPolarHBondContact O-CA 3.48Å; M297-Q300 WeakPolarHBondContact O-CB 3.44Å; M297-Q300 PolarHBondContact O-N 3.04Å; M297-V301 PolarHBondContact O-N 3.19Å; M297-V301 HydrophobicContact SD-CG2 3.62Å; M297-F321 HydrophobicContact CE-CZ 4.29Å; M297-F321 HydrophobicContact SD-CE2 4.18Å; M297-F321 HydrophobicContact SD-CZ 4.26Å
298	D	98.9	Very high	98.7	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-55.8	-45.4	173.8	176.5	81.2	0	0	0	111.9	S51 P52 N53 I54 V294 S295 Q300 V301 G302	S51-D298 VanDerWaalsContact C-CG 3.42Å; S51-D298 VanDerWaalsContact CA-CG 3.42Å; S51-D298 WeakPolarHBondContact CA-OD1 3.26Å; S51-D298 VanDerWaalsContact O-OD1 3.09Å; P52-D298 VanDerWaalsContact CD-OD2 3.26Å; P52-D298 WeakPolarHBondContact CD-OD2 3.33Å; N53-D298 PolarHBondContact N-OD1 2.9Å; N53-D298 VanDerWaalsContact N-OD1 3.13Å; N53-D298 PolarHBondContact N-OD2 3.31Å; N53-D298 VanDerWaalsContact N-OD2 3.14Å; N53-D298 PolarHBondContact ND2-OD2 3.25Å; I54-D298 WeakPolarHBondContact CB-OD1 3.43Å; I54-D298 HydrophobicContact CD1-CB 4.1Å; I54-D298 VanDerWaalsContact CG1-OD1 3.28Å; I54-D298 WeakPolarHBondContact CG1-OD1 3.39Å; I54-D298 PolarHBondContact N-OD1 2.92Å; V294-D298 WeakPolarHBondContact O-CB 3.46Å; V294-D298 PolarHBondContact O-N 3.17Å; S295-D298 PolarHBondContact O-N 3.4Å; D298-Q300 PolarHBondContact O-N 2.92Å; D298-V301 WeakPolarHBondContact O-CB 3.33Å; D298-V301 PolarHBondContact O-N 2.72Å; D298-V301 VanDerWaalsContact O-N 3.16Å; D298-G302 PolarHBondContact O-N 3.16Å
299	A	98.9	Very high	98.5	Very high	3 Å²	3	9.5 Å²	9.5	3%	0.025	5%	0.047	C	C	.	.	H	α-helix	trans	-60.9	-35.5	175.6	0	0	0	0	0	112	Y228 S295 Y296 M297 G302 R303 F370 V373	Y228-A299 WeakPolarHBondContact OH-CB 3.24Å; S295-A299 PolarHBondContact O-N 3Å; S295-A299 VanDerWaalsContact O-N 3.11Å; Y296-A299 PolarHBondContact O-N 3.13Å; M297-A299 VanDerWaalsContact C-N 3.32Å; M297-A299 PolarHBondContact O-N 2.9Å; A299-G302 PolarHBondContact O-N 3.39Å; A299-R303 WeakPolarHBondContact O-CG 3.38Å; A299-R303 PolarHBondContact O-N 3.44Å; A299-F370 HydrophobicContact CB-CE2 4.42Å; A299-F370 WeakPolarHBondContact O-CE2 3.47Å; A299-V373 HydrophobicContact CB-CG1 4.47Å
300	Q	98.9	Very high	98.3	Very high	5 Å²	5	12.9 Å²	12.9	2%	0.023	8%	0.078	C	C	.	.	H	α-helix	trans	-67.7	-41.7	175.4	-63	-26.4	-70.3	0	0	111.9	D188 T192 F215 Y296 M297 D298 G302 R303 L304	D188-Q300 HydrophobicContact CB-CG 4.29Å; T192-Q300 VanDerWaalsContact OG1-CB 3.32Å; T192-Q300 WeakPolarHBondContact OG1-CB 3.43Å; T192-Q300 PolarHBondContact OG1-OE1 3.33Å; F215-Q300 HydrophobicContact CD1-CB 4.39Å; F215-Q300 HydrophobicContact CE1-CB 3.65Å; F215-Q300 HydrophobicContact CE1-CG 4.38Å; F215-Q300 HydrophobicContact CE2-CB 4.47Å; F215-Q300 HydrophobicContact CZ-CB 3.68Å; Y296-Q300 HydrophobicContact CE2-CG 4.14Å; Y296-Q300 PolarHBondContact O-N 3.29Å; Y296-Q300 PolarHBondContact O-NE2 2.91Å; M297-Q300 WeakPolarHBondContact O-CA 3.48Å; M297-Q300 WeakPolarHBondContact O-CB 3.44Å; M297-Q300 PolarHBondContact O-N 3.04Å; D298-Q300 PolarHBondContact O-N 2.92Å; Q300-G302 VanDerWaalsContact C-N 3.33Å; Q300-G302 PolarHBondContact O-N 3.49Å; Q300-R303 PolarHBondContact O-N 3Å; Q300-R303 VanDerWaalsContact OE1-NH1 3.16Å; Q300-L304 PolarHBondContact O-N 3.34Å
301	V	98.9	Very high	98.1	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-58.1	-46.9	171.4	175.1	0	0	0	0	110.4	I32 I54 F215 M297 D298 R303 L304 L305 F321	I32-V301 HydrophobicContact CD1-CG1 4.34Å; I32-V301 HydrophobicContact CG2-CG2 4.32Å; I54-V301 HydrophobicContact CD1-CG2 4.35Å; I54-V301 HydrophobicContact CG1-CB 4.21Å; I54-V301 HydrophobicContact CG1-CG1 4.01Å; I54-V301 HydrophobicContact CG1-CG2 4.27Å; F215-V301 HydrophobicContact CD2-CG2 4.2Å; F215-V301 HydrophobicContact CE2-CG2 3.68Å; M297-V301 PolarHBondContact O-N 3.19Å; M297-V301 HydrophobicContact SD-CG2 3.62Å; D298-V301 WeakPolarHBondContact O-CB 3.33Å; D298-V301 PolarHBondContact O-N 2.72Å; D298-V301 VanDerWaalsContact O-N 3.16Å; V301-R303 VanDerWaalsContact C-N 3.3Å; V301-R303 PolarHBondContact O-N 3.05Å; V301-L304 WeakPolarHBondContact O-CB 3.48Å; V301-L304 PolarHBondContact O-N 3.49Å; V301-L305 HydrophobicContact CG1-CD1 3.82Å; V301-L305 HydrophobicContact CG1-CG 4.12Å; V301-L305 WeakPolarHBondContact O-CG 3.26Å; V301-L305 PolarHBondContact O-N 3.26Å; V301-F321 HydrophobicContact CG2-CD2 4.33Å; V301-F321 HydrophobicContact CG2-CE2 3.79Å
302	G	98.8	Very high	97.8	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-55.8	-41.4	177.4	0	0	0	0	0	113.5	N53 D298 A299 Q300 L304 L305 S306	N53-G302 VanDerWaalsContact CG-CA 3.45Å; N53-G302 VanDerWaalsContact OD1-CA 3.32Å; N53-G302 WeakPolarHBondContact OD1-CA 3.26Å; D298-G302 PolarHBondContact O-N 3.16Å; A299-G302 PolarHBondContact O-N 3.39Å; Q300-G302 VanDerWaalsContact C-N 3.33Å; Q300-G302 PolarHBondContact O-N 3.49Å; G302-L304 VanDerWaalsContact C-N 3.34Å; G302-L304 PolarHBondContact O-N 3.08Å; G302-L305 PolarHBondContact O-N 2.84Å; G302-S306 WeakPolarHBondContact O-CB 3.46Å; G302-S306 PolarHBondContact O-N 2.94Å
303	R	98.8	Very high	97.5	Very high	81 Å²	81	18.5 Å²	18.5	31%	0.306	12%	0.123	S	C	.	.	H	α-helix	trans	-63.2	-38	175.9	-69.8	175.2	71.3	-147.8	-1.4	112.4	T192 D193 A299 Q300 V301 T307 F370	T192-R303 HydrophobicContact CG2-CB 3.69Å; D193-R303 IonicContact OD1-CZ 3.36Å; D193-R303 IonicContact OD1-NH1 3.16Å; D193-R303 PolarHBondContact OD1-NH1 3.26Å; D193-R303 VanDerWaalsContact OD1-NH1 3.16Å; D193-R303 IonicContact OD1-NH2 2.67Å; D193-R303 PolarHBondContact OD1-NH2 3.32Å; A299-R303 WeakPolarHBondContact O-CG 3.38Å; A299-R303 PolarHBondContact O-N 3.44Å; Q300-R303 PolarHBondContact O-N 3Å; Q300-R303 VanDerWaalsContact OE1-NH1 3.16Å; V301-R303 VanDerWaalsContact C-N 3.3Å; V301-R303 PolarHBondContact O-N 3.05Å; R303-T307 VanDerWaalsContact O-CB 3.32Å; R303-T307 WeakPolarHBondContact O-CB 3.37Å; R303-T307 PolarHBondContact O-N 2.86Å; R303-T307 VanDerWaalsContact O-N 3.09Å; R303-T307 PolarHBondContact O-OG1 2.87Å; R303-F370 HydrophobicContact CG-CD2 4.27Å; R303-F370 HydrophobicContact CG-CE2 3.98Å
304	L	98.8	Very high	97.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-67.2	-49.3	175.6	-61	-175.9	0	0	0	111.6	I32 T192 A195 V196 V213 F215 Q300 V301 G302 T307 L308	I32-L304 HydrophobicContact CD1-CD1 4.33Å; T192-L304 HydrophobicContact CG2-CD2 3.92Å; T192-L304 HydrophobicContact CG2-CG 4.36Å; A195-L304 HydrophobicContact CB-CD2 3.61Å; V196-L304 HydrophobicContact CG2-CD2 4.07Å; V213-L304 HydrophobicContact CB-CD1 4.24Å; V213-L304 HydrophobicContact CG1-CD1 4.04Å; V213-L304 HydrophobicContact CG2-CD1 4.16Å; F215-L304 HydrophobicContact CE2-CD1 4.07Å; F215-L304 HydrophobicContact CZ-CD1 3.69Å; F215-L304 HydrophobicContact CZ-CG 4.37Å; Q300-L304 PolarHBondContact O-N 3.34Å; V301-L304 WeakPolarHBondContact O-CB 3.48Å; V301-L304 PolarHBondContact O-N 3.49Å; G302-L304 VanDerWaalsContact C-N 3.34Å; G302-L304 PolarHBondContact O-N 3.08Å; L304-T307 WeakPolarHBondContact O-CB 3.42Å; L304-T307 PolarHBondContact O-N 3.18Å; L304-L308 PolarHBondContact O-N 3.39Å
305	L	98.7	Very high	97	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.8	-44.6	-178.8	-62.1	178.2	0	0	0	111.6	L57 V301 G302 T307 L308 D309 V319 F368	L57-L305 HydrophobicContact CB-CD1 3.9Å; L57-L305 HydrophobicContact CD1-CD1 4.39Å; L57-L305 HydrophobicContact CD1-CD2 4.34Å; L57-L305 HydrophobicContact CD2-CD1 4.38Å; L57-L305 HydrophobicContact CG-CD1 4.45Å; V301-L305 HydrophobicContact CG1-CD1 3.82Å; V301-L305 HydrophobicContact CG1-CG 4.12Å; V301-L305 WeakPolarHBondContact O-CG 3.26Å; V301-L305 PolarHBondContact O-N 3.26Å; G302-L305 PolarHBondContact O-N 2.84Å; L305-T307 VanDerWaalsContact C-N 3.29Å; L305-T307 PolarHBondContact O-N 3.39Å; L305-L308 VanDerWaalsContact O-CB 3.32Å; L305-L308 WeakPolarHBondContact O-CB 3.49Å; L305-L308 PolarHBondContact O-N 2.86Å; L305-L308 VanDerWaalsContact O-N 3.15Å; L305-D309 PolarHBondContact O-N 2.85Å; L305-V319 HydrophobicContact CD2-CG1 4.04Å; L305-V319 HydrophobicContact CD2-CG2 4.19Å; L305-F368 HydrophobicContact CB-CB 3.7Å; L305-F368 HydrophobicContact CB-CD2 4.36Å; L305-F368 HydrophobicContact CB-CG 4.11Å
306	S	98.4	Very high	96.8	Very high	34 Å²	34	24.1 Å²	24.1	24%	0.238	16%	0.156	C	C	.	.	H	α-helix	trans	-65.4	-32.5	176.9	-176.9	0	0	0	0	112.5	G302 D309 A310 F368	G302-S306 WeakPolarHBondContact O-CB 3.46Å; G302-S306 PolarHBondContact O-N 2.94Å; S306-D309 WeakPolarHBondContact O-CB 3.48Å; S306-A310 WeakPolarHBondContact O-CB 3.02Å; S306-A310 PolarHBondContact O-N 3.08Å; S306-F368 VanDerWaalsContact CA-O 3.25Å; S306-F368 WeakPolarHBondContact CA-O 3.41Å; S306-F368 WeakPolarHBondContact CB-O 3.42Å
307	T	98.3	Very high	96.7	Very high	23 Å²	23	24 Å²	24	14%	0.141	16%	0.156	C	C	.	.	H	α-helix	trans	-67.6	-42.5	172.2	-63.7	0	0	0	0	111.5	V196 L199 R303 L304 L305 D309 A310 L311	V196-T307 HydrophobicContact CB-CG2 4.42Å; V196-T307 HydrophobicContact CG1-CG2 4Å; V196-T307 HydrophobicContact CG2-CG2 4.19Å; V196-T307 WeakPolarHBondContact CG2-OG1 3.5Å; L199-T307 HydrophobicContact CB-CG2 4.43Å; L199-T307 HydrophobicContact CD1-CG2 4.27Å; R303-T307 VanDerWaalsContact O-CB 3.32Å; R303-T307 WeakPolarHBondContact O-CB 3.37Å; R303-T307 PolarHBondContact O-N 2.86Å; R303-T307 VanDerWaalsContact O-N 3.09Å; R303-T307 PolarHBondContact O-OG1 2.87Å; L304-T307 WeakPolarHBondContact O-CB 3.42Å; L304-T307 PolarHBondContact O-N 3.18Å; L305-T307 VanDerWaalsContact C-N 3.29Å; L305-T307 PolarHBondContact O-N 3.39Å; T307-D309 VanDerWaalsContact C-N 3.27Å; T307-D309 PolarHBondContact O-N 2.84Å; T307-A310 PolarHBondContact O-N 3.4Å; T307-L311 HydrophobicContact CG2-CD1 3.8Å; T307-L311 HydrophobicContact CG2-CG 4.34Å; T307-L311 WeakPolarHBondContact O-CB 3.36Å; T307-L311 VanDerWaalsContact O-CG 3.25Å; T307-L311 WeakPolarHBondContact O-CG 3.49Å; T307-L311 PolarHBondContact O-N 3Å
308	L	95.8	Very high	96.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-57.7	-44.4	176.7	-167.6	74.9	0	0	0	111.1	L199 L304 L305 L311 G312 L313 T317 V319	L199-L308 HydrophobicContact CD2-CD1 4.1Å; L304-L308 PolarHBondContact O-N 3.39Å; L305-L308 VanDerWaalsContact O-CB 3.32Å; L305-L308 WeakPolarHBondContact O-CB 3.49Å; L305-L308 PolarHBondContact O-N 2.86Å; L305-L308 VanDerWaalsContact O-N 3.15Å; L308-L311 PolarHBondContact O-N 3.19Å; L308-G312 PolarHBondContact O-N 3.32Å; L308-L313 HydrophobicContact CD1-CB 3.57Å; L308-L313 HydrophobicContact CD1-CD1 4.22Å; L308-L313 HydrophobicContact CG-CB 4Å; L308-L313 PolarHBondContact O-N 3.38Å; L308-T317 HydrophobicContact CD1-CG2 3.89Å; L308-T317 HydrophobicContact CD2-CG2 3.97Å; L308-V319 HydrophobicContact CD2-CG2 3.94Å
309	D	94.9	Very high	96.6	Very high	24 Å²	24	24.1 Å²	24.1	13%	0.128	16%	0.156	C	C	.	.	H	α-helix	trans	-60.1	-52.1	173.7	-107	28.6	0	0	0	112.7	L305 S306 T307 L311 G312 T314 S366 T367 F368	L305-D309 PolarHBondContact O-N 2.85Å; S306-D309 WeakPolarHBondContact O-CB 3.48Å; T307-D309 VanDerWaalsContact C-N 3.27Å; T307-D309 PolarHBondContact O-N 2.84Å; D309-L311 PolarHBondContact O-N 2.85Å; D309-G312 PolarHBondContact O-N 3.42Å; D309-T314 VanDerWaalsContact CA-OG1 3.3Å; D309-T314 WeakPolarHBondContact CA-OG1 3.47Å; D309-T314 PolarHBondContact N-OG1 3.34Å; D309-T314 WeakPolarHBondContact OD1-CB 3.3Å; D309-T314 WeakPolarHBondContact OD1-CG2 3.33Å; D309-T314 PolarHBondContact OD1-OG1 3.32Å; D309-S366 WeakPolarHBondContact OD2-CA 3.42Å; D309-S366 WeakPolarHBondContact OD2-CB 3.31Å; D309-S366 PolarHBondContact OD2-OG 2.8Å; D309-T367 WeakPolarHBondContact OD1-CB 3.44Å; D309-T367 WeakPolarHBondContact OD2-CA 3.36Å; D309-T367 PolarHBondContact OD2-N 2.84Å; D309-F368 PolarHBondContact OD2-N 3.32Å
310	A	95.7	Very high	96.6	Very high	86 Å²	86	24 Å²	24	71%	0.711	16%	0.155	S	C	*	.	H	α-helix	trans	-63.4	-24.5	-178.4	0	0	0	0	0	113	S306 T307 G312	S306-A310 WeakPolarHBondContact O-CB 3.02Å; S306-A310 PolarHBondContact O-N 3.08Å; T307-A310 PolarHBondContact O-N 3.4Å; A310-G312 VanDerWaalsContact C-N 3.34Å
311	L	94.4	Very high	96.6	Very high	55 Å²	55	23.8 Å²	23.8	29%	0.288	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-2.3	175	-67	172.9	0	0	0	113.4	L199 K200 A203 T307 L308 D309 L313	L199-L311 HydrophobicContact CB-CD1 3.92Å; K200-L311 HydrophobicContact CG-CD1 4.05Å; K200-L311 HydrophobicContact CG-CD2 4.14Å; A203-L311 HydrophobicContact CB-CB 4.36Å; A203-L311 HydrophobicContact CB-CD1 4.31Å; A203-L311 HydrophobicContact CB-CD2 4.1Å; A203-L311 HydrophobicContact CB-CG 4.5Å; T307-L311 HydrophobicContact CG2-CD1 3.8Å; T307-L311 HydrophobicContact CG2-CG 4.34Å; T307-L311 WeakPolarHBondContact O-CB 3.36Å; T307-L311 VanDerWaalsContact O-CG 3.25Å; T307-L311 WeakPolarHBondContact O-CG 3.49Å; T307-L311 PolarHBondContact O-N 3Å; L308-L311 PolarHBondContact O-N 3.19Å; D309-L311 PolarHBondContact O-N 2.85Å; L311-L313 HydrophobicContact CB-CD1 3.88Å; L311-L313 HydrophobicContact CB-CG 3.89Å; L311-L313 HydrophobicContact CD1-CD1 4.02Å; L311-L313 PolarHBondContact O-N 2.99Å
312	G	92.3	Very high	96.6	Very high	61 Å²	61	23.8 Å²	23.8	63%	0.629	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.8	21.8	-175.3	0	0	0	0	0	113.4	L308 D309 A310	L308-G312 PolarHBondContact O-N 3.32Å; D309-G312 PolarHBondContact O-N 3.42Å; A310-G312 VanDerWaalsContact C-N 3.34Å
313	L	93.7	Very high	96.6	Very high	14 Å²	14	23.7 Å²	23.7	7%	0.073	15%	0.154	C	C	.	.			trans	-91.1	-12.1	-176.5	-69.8	175.2	0	0	0	113.1	A203 F209 L308 L311 D315 S316 T317	A203-L313 HydrophobicContact CB-CD1 4.15Å; F209-L313 HydrophobicContact CE1-CD1 4.23Å; L308-L313 HydrophobicContact CD1-CB 3.57Å; L308-L313 HydrophobicContact CD1-CD1 4.22Å; L308-L313 HydrophobicContact CG-CB 4Å; L308-L313 PolarHBondContact O-N 3.38Å; L311-L313 HydrophobicContact CB-CD1 3.88Å; L311-L313 HydrophobicContact CB-CG 3.89Å; L311-L313 HydrophobicContact CD1-CD1 4.02Å; L311-L313 PolarHBondContact O-N 2.99Å; L313-D315 VanDerWaalsContact C-N 3.34Å; L313-D315 PolarHBondContact O-N 2.87Å; L313-S316 CarbonylContact O-C 3.55Å; L313-S316 PolarHBondContact O-N 3.11Å; L313-S316 PolarHBondContact O-OG 2.92Å; L313-S316 VanDerWaalsContact O-OG 3.08Å; L313-T317 VanDerWaalsContact O-CB 3.27Å; L313-T317 WeakPolarHBondContact O-CB 3.3Å; L313-T317 PolarHBondContact O-N 3.42Å; L313-T317 VanDerWaalsContact O-N 3.1Å; L313-T317 PolarHBondContact O-OG1 3.25Å
314	T	94.6	Very high	96.6	Very high	5 Å²	5	19.9 Å²	19.9	3%	0.031	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-57.2	-43.9	-175.2	-61.9	0	0	0	0	112.8	D309 S316 T317 F352 P354 T367 F368	D309-T314 VanDerWaalsContact CA-OG1 3.3Å; D309-T314 WeakPolarHBondContact CA-OG1 3.47Å; D309-T314 PolarHBondContact N-OG1 3.34Å; D309-T314 WeakPolarHBondContact OD1-CB 3.3Å; D309-T314 WeakPolarHBondContact OD1-CG2 3.33Å; D309-T314 PolarHBondContact OD1-OG1 3.32Å; T314-S316 PolarHBondContact O-N 3.17Å; T314-S316 VanDerWaalsContact O-N 3.13Å; T314-T317 PolarHBondContact O-N 2.66Å; T314-F352 HydrophobicContact CG2-CE1 3.87Å; T314-F352 HydrophobicContact CG2-CZ 3.82Å; T314-P354 WeakPolarHBondContact O-CG 3.36Å; T314-T367 HydrophobicContact CG2-CG2 4.03Å; T314-F368 HydrophobicContact CG2-CD2 4Å; T314-F368 HydrophobicContact CG2-CE2 3.67Å
315	D	92.6	Very high	96.6	Very high	71 Å²	71	19.9 Å²	19.9	38%	0.38	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-71.3	-8.9	-178.8	-67.8	-21	0	0	0	113.9	L313 P354 Y360	L313-D315 VanDerWaalsContact C-N 3.34Å; L313-D315 PolarHBondContact O-N 2.87Å; D315-P354 VanDerWaalsContact O-CB 3.27Å; D315-P354 WeakPolarHBondContact O-CB 3.28Å; D315-Y360 HydrophobicContact CB-CD1 3.69Å; D315-Y360 HydrophobicContact CB-CE1 4.06Å; D315-Y360 WeakPolarHBondContact OD1-CD1 3.2Å
316	S	93.4	Very high	96.6	Very high	42 Å²	42	19.9 Å²	19.9	29%	0.294	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-120.1	7.2	179.8	64.2	0	0	0	0	113.5	S27 N28 L313 T314	S27-S316 CarbonylContact C-O 3.45Å; S27-S316 WeakPolarHBondContact CA-O 3.09Å; N28-S316 PolarHBondContact N-O 3.41Å; N28-S316 PolarHBondContact ND2-O 3.09Å; N28-S316 PolarHBondContact ND2-OG 3.1Å; L313-S316 CarbonylContact O-C 3.55Å; L313-S316 PolarHBondContact O-N 3.11Å; L313-S316 PolarHBondContact O-OG 2.92Å; L313-S316 VanDerWaalsContact O-OG 3.08Å; T314-S316 PolarHBondContact O-N 3.17Å; T314-S316 VanDerWaalsContact O-N 3.13Å
317	T	96.6	Very high	96.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	120	-173.3	-53.9	0	0	0	0	111.7	N28 L30 F209 L308 L313 T314 P354	N28-T317 HydrophobicContact CB-CG2 3.93Å; N28-T317 WeakPolarHBondContact CB-OG1 2.93Å; N28-T317 WeakPolarHBondContact O-CA 3.46Å; L30-T317 HydrophobicContact CB-CG2 4Å; F209-T317 HydrophobicContact CE2-CG2 4.48Å; F209-T317 HydrophobicContact CZ-CG2 4.28Å; L308-T317 HydrophobicContact CD1-CG2 3.89Å; L308-T317 HydrophobicContact CD2-CG2 3.97Å; L313-T317 VanDerWaalsContact O-CB 3.27Å; L313-T317 WeakPolarHBondContact O-CB 3.3Å; L313-T317 PolarHBondContact O-N 3.42Å; L313-T317 VanDerWaalsContact O-N 3.1Å; L313-T317 PolarHBondContact O-OG1 3.25Å; T314-T317 PolarHBondContact O-N 2.66Å; T317-P354 WeakPolarHBondContact O-CD 3.25Å; T317-P354 VanDerWaalsContact O-CG 3.31Å; T317-P354 WeakPolarHBondContact O-CG 3.31Å
318	M	98.1	Very high	96.7	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.01	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	135.2	165.4	179.7	-173.1	-49.9	0	0	109.7	N28 V29 L30 V320 F352 V353 V400 M403 A404	N28-M318 PolarHBondContact O-N 3.08Å; V29-M318 WeakPolarHBondContact CA-O 3.4Å; L30-M318 PolarHBondContact N-O 2.92Å; M318-V320 HydrophobicContact CG-CG2 4.24Å; M318-V320 HydrophobicContact SD-CG2 4.08Å; M318-F352 WeakPolarHBondContact CA-O 3.46Å; M318-F352 VanDerWaalsContact CG-O 3.31Å; M318-F352 WeakPolarHBondContact CG-O 3.24Å; M318-V353 HydrophobicContact CE-CG2 4.38Å; M318-V353 HydrophobicContact CG-CG2 4.16Å; M318-V400 HydrophobicContact SD-CG1 4.12Å; M318-M403 VanDerWaalsContact CE-C 3.48Å; M318-M403 HydrophobicContact CE-CB 3.32Å; M318-M403 HydrophobicContact SD-CB 4.3Å; M318-A404 HydrophobicContact CE-CB 4.41Å
319	V	98.8	Very high	96.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	126.6	171.8	-174.4	0	0	0	0	109.1	L30 I32 L57 L305 L308 M351 F352	L30-V319 HydrophobicContact CB-CG2 4.29Å; L30-V319 HydrophobicContact CD2-CG1 4.46Å; L30-V319 HydrophobicContact CD2-CG2 4.33Å; L30-V319 WeakPolarHBondContact O-CA 3.13Å; I32-V319 HydrophobicContact CD1-CG1 4.02Å; L57-V319 HydrophobicContact CD1-CB 4.28Å; L57-V319 HydrophobicContact CD1-CG1 4.25Å; L57-V319 HydrophobicContact CD2-CG1 4.17Å; L305-V319 HydrophobicContact CD2-CG1 4.04Å; L305-V319 HydrophobicContact CD2-CG2 4.19Å; L308-V319 HydrophobicContact CD2-CG2 3.94Å; V319-M351 WeakPolarHBondContact O-CA 3.48Å; V319-F352 HydrophobicContact CB-CB 4.02Å; V319-F352 HydrophobicContact CB-CD1 4.34Å; V319-F352 HydrophobicContact CG2-CD1 4.02Å; V319-F352 PolarHBondContact N-O 3.34Å; V319-F352 PolarHBondContact O-N 3.27Å
320	V	98.9	Very high	97	Very high	0 Å²	0	16 Å²	16	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	122.8	173	-177.8	0	0	0	0	107.3	L30 F31 I32 M318 L349 I350 M351 V400	L30-V320 PolarHBondContact O-N 3.3Å; F31-V320 HydrophobicContact CD2-CB 3.82Å; F31-V320 HydrophobicContact CD2-CG1 3.86Å; F31-V320 HydrophobicContact CD2-CG2 4.45Å; F31-V320 HydrophobicContact CE2-CB 4.25Å; F31-V320 HydrophobicContact CE2-CG1 3.75Å; I32-V320 PolarHBondContact N-O 3.29Å; M318-V320 HydrophobicContact CG-CG2 4.24Å; M318-V320 HydrophobicContact SD-CG2 4.08Å; V320-L349 HydrophobicContact CG1-CD1 4.38Å; V320-I350 WeakPolarHBondContact CA-O 3.26Å; V320-M351 HydrophobicContact CG1-CE 4.38Å; V320-M351 HydrophobicContact CG1-CG 4.35Å; V320-M351 HydrophobicContact CG2-CG 4.44Å; V320-V400 HydrophobicContact CG2-CG2 3.7Å
321	F	98.9	Very high	97.1	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	127.3	175.6	178.2	-87.7	0	0	0	110	I32 L37 L41 I54 L57 M297 V301 P348 L349 I350	I32-F321 HydrophobicContact CB-CD2 3.95Å; I32-F321 HydrophobicContact CG2-CD2 3.64Å; I32-F321 HydrophobicContact CG2-CE2 3.97Å; I32-F321 WeakPolarHBondContact O-CA 3.41Å; L37-F321 HydrophobicContact CD2-CE1 3.89Å; L37-F321 HydrophobicContact CD2-CZ 3.59Å; L41-F321 HydrophobicContact CD1-CE1 4.17Å; I54-F321 HydrophobicContact CD1-CE1 4.25Å; I54-F321 HydrophobicContact CD1-CE2 3.97Å; I54-F321 HydrophobicContact CD1-CZ 3.58Å; I54-F321 HydrophobicContact CG1-CE2 4.18Å; I54-F321 HydrophobicContact CG1-CZ 4.1Å; I54-F321 HydrophobicContact CG2-CD1 4.32Å; I54-F321 HydrophobicContact CG2-CE1 4.08Å; I54-F321 HydrophobicContact CG2-CZ 4.43Å; L57-F321 HydrophobicContact CD2-CB 3.85Å; M297-F321 HydrophobicContact CE-CZ 4.29Å; M297-F321 HydrophobicContact SD-CE2 4.18Å; M297-F321 HydrophobicContact SD-CZ 4.26Å; V301-F321 HydrophobicContact CG2-CD2 4.33Å; V301-F321 HydrophobicContact CG2-CE2 3.79Å; F321-P348 HydrophobicContact CD1-CB 4.48Å; F321-P348 HydrophobicContact CE1-CB 4.19Å; F321-P348 HydrophobicContact CE1-CG 4.09Å; F321-L349 WeakPolarHBondContact O-CA 3.36Å; F321-I350 HydrophobicContact CB-CB 4.29Å; F321-I350 HydrophobicContact CD1-CD1 4.03Å; F321-I350 PolarHBondContact N-O 3.39Å; F321-I350 PolarHBondContact O-N 2.8Å
322	T	98.9	Very high	97.3	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	-173.2	178.4	-162.6	0	0	0	0	113.7	F31 I32 M33 S34 M81 P348 L393 I396	F31-T322 HydrophobicContact CE2-CG2 4.5Å; F31-T322 HydrophobicContact CZ-CG2 3.94Å; I32-T322 PolarHBondContact O-N 3.02Å; M33-T322 VanDerWaalsContact CA-O 3.29Å; M33-T322 WeakPolarHBondContact CA-O 3.12Å; M33-T322 HydrophobicContact CE-CG2 3.87Å; S34-T322 PolarHBondContact N-O 3.24Å; M81-T322 HydrophobicContact SD-CG2 4.27Å; T322-P348 WeakPolarHBondContact CA-O 3.29Å; T322-P348 WeakPolarHBondContact CB-O 3.49Å; T322-P348 PolarHBondContact OG1-O 3.11Å; T322-L393 WeakPolarHBondContact OG1-CD2 3.09Å; T322-I396 HydrophobicContact CG2-CD1 4.03Å
323	S	98.9	Very high	97.6	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	158.3	173.3	-176.7	0	0	0	0	109.9	S34 L37 H325 L393	S34-S323 WeakPolarHBondContact O-CA 3.4Å; S34-S323 PolarHBondContact O-OG 2.99Å; S34-S323 VanDerWaalsContact O-OG 3.11Å; L37-S323 PolarHBondContact N-OG 2.72Å; L37-S323 VanDerWaalsContact N-OG 3.13Å; L37-S323 WeakPolarHBondContact O-CB 3.4Å; L37-S323 PolarHBondContact O-OG 3.31Å; S323-H325 PolarHBondContact OG-N 2.87Å; S323-H325 PolarHBondContact OG-O 2.91Å; S323-L393 WeakPolarHBondContact O-CD1 3.14Å
324	D	98.8	Very high	97.8	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.04	C	C	.	.	S	Bend	trans	-75.7	-33.8	171.4	61.9	-20.2	0	0	0	112.7	M33 S34 D35 D36 A69 C74 S77 R78	M33-D324 HydrophobicContact CE-CB 4.41Å; M33-D324 HydrophobicContact SD-CB 3.96Å; S34-D324 PolarHBondContact O-N 3.46Å; D35-D324 VanDerWaalsContact OD1-OD2 3.1Å; D36-D324 PolarHBondContact N-OD1 2.54Å; A69-D324 VanDerWaalsContact CB-O 3.22Å; A69-D324 WeakPolarHBondContact CB-O 3.43Å; C74-D324 VanDerWaalsContact CA-OD2 3.3Å; C74-D324 WeakPolarHBondContact CA-OD2 3.45Å; C74-D324 WeakPolarHBondContact CB-OD2 3.3Å; C74-D324 PolarHBondContact SG-OD2 2.85Å; S77-D324 VanDerWaalsContact CB-O 3.31Å; S77-D324 WeakPolarHBondContact CB-O 3.46Å; S77-D324 PolarHBondContact OG-O 3.43Å; R78-D324 HydrophobicContact CG-CB 3.75Å; R78-D324 IonicContact CZ-OD2 3.68Å; R78-D324 IonicContact NE-OD2 3.24Å; R78-D324 PolarHBondContact NE-OD2 3.47Å; R78-D324 IonicContact NH2-OD1 3.12Å; R78-D324 IonicContact NH2-OD2 3.84Å; R78-D324 PolarHBondContact NH2-OD2 3.07Å
325	H	98.9	Very high	98	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.039	C	C	.	.			trans	-167.5	174.1	171.9	56.9	76.5	0	0	0	111.1	D36 L37 A69 A72 V73 C74 S323 K337	D36-H325 CarbonylContact C-O 3.57Å; D36-H325 IonicContact OD1-CE1 3.28Å; D36-H325 PolarHBondContact OD1-CE1 2.71Å; D36-H325 IonicContact OD1-ND1 2.73Å; D36-H325 IonicContact OD1-NE2 3.62Å; L37-H325 CarbonylContact C-O 3.52Å; L37-H325 PolarHBondContact N-O 2.84Å; L37-H325 VanDerWaalsContact O-O 3.09Å; A69-H325 HydrophobicContact CB-CB 4.21Å; A72-H325 HydrophobicContact CB-CB 4.25Å; V73-H325 VanDerWaalsContact C-CD2 3.47Å; V73-H325 WeakPolarHBondContact CA-NE2 3.48Å; V73-H325 PolarHBondContact N-CD2 2.84Å; C74-H325 PolarHBondContact N-NE2 3.03Å; S323-H325 PolarHBondContact OG-N 2.87Å; S323-H325 PolarHBondContact OG-O 2.91Å; H325-K337 VanDerWaalsContact CE1-CG 3.45Å; H325-K337 WeakPolarHBondContact CE1-CG 3.36Å
326	G	98.6	Very high	98.3	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.022	C	C	.	.			trans	-84.9	-165.5	174.9	0	0	0	0	0	114.2	V344	G326-V344 WeakPolarHBondContact CA-O 3.34Å; G326-V344 PolarHBondContact N-O 3.49Å
327	W	98.8	Very high	98.5	Very high	0 Å²	0	1.3 Å²	1.3	0%	0	1%	0.008	C	C	.	.			trans	-157	126.6	-177.5	-155.2	93.1	0	0	0	110.9	D36 R38 I220 F222 V260 I286 Y290 L329 W335 A336 V343	D36-W327 HydrophobicContact CB-CG 4.42Å; D36-W327 WeakPolarHBondContact O-CB 3.41Å; D36-W327 VanDerWaalsContact OD2-CD1 3.23Å; D36-W327 PolarHBondContact OD2-NE1 2.93Å; R38-W327 WeakPolarHBondContact CD-O 3.42Å; R38-W327 PolarHBondContact NH1-O 2.93Å; I220-W327 HydrophobicContact CG2-CZ2 3.92Å; F222-W327 HydrophobicContact CZ-CH2 4.04Å; F222-W327 HydrophobicContact CZ-CZ2 4.05Å; V260-W327 HydrophobicContact CG2-CZ2 4.18Å; I286-W327 HydrophobicContact CG2-CH2 3.8Å; I286-W327 HydrophobicContact CG2-CZ3 3.96Å; Y290-W327 HydrophobicContact CD2-CD2 4.2Å; Y290-W327 AromaticContact CD2-CE3 3.96Å; Y290-W327 HydrophobicContact CD2-CE3 3.96Å; Y290-W327 HydrophobicContact CE2-CB 3.81Å; Y290-W327 HydrophobicContact CE2-CD2 4.02Å; Y290-W327 HydrophobicContact CE2-CE3 4.08Å; Y290-W327 AromaticContact CE2-CG 3.95Å; Y290-W327 HydrophobicContact CE2-CG 3.95Å; W327-L329 HydrophobicContact CE3-CD2 3.48Å; W327-L329 VanDerWaalsContact CE3-CD2 3.48Å; W327-L329 HydrophobicContact CE3-CG 3.72Å; W327-L329 HydrophobicContact CH2-CD2 4.5Å; W327-L329 HydrophobicContact CZ3-CD2 3.31Å; W327-L329 HydrophobicContact CZ3-CG 3.95Å; W327-W335 AromaticContact CH2-CE3 3.96Å; W327-W335 HydrophobicContact CH2-CE3 3.96Å; W327-W335 AromaticContact CZ3-CE3 3.91Å; W327-W335 HydrophobicContact CZ3-CE3 3.91Å; W327-W335 HydrophobicContact CZ3-CZ3 4.42Å; W327-A336 CarbonylContact C-O 3.57Å; W327-A336 VanDerWaalsContact CA-O 3.29Å; W327-A336 WeakPolarHBondContact CA-O 3.22Å; W327-A336 VanDerWaalsContact CE2-CA 3.42Å; W327-A336 HydrophobicContact CZ2-CB 4.27Å; W327-V343 PolarHBondContact N-O 3.18Å; W327-V343 VanDerWaalsContact N-O 3.14Å
328	S	98.8	Very high	98.6	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.011	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	128.2	175.1	179.1	0	0	0	0	111.1	E331 E334 W335 A336	S328-E331 PolarHBondContact OG-O 2.67Å; S328-E331 PolarHBondContact OG-OE2 3.06Å; S328-E334 PolarHBondContact OG-O 2.74Å; S328-W335 WeakPolarHBondContact O-CA 3.46Å; S328-A336 PolarHBondContact N-O 3.14Å; S328-A336 PolarHBondContact O-N 2.85Å
329	L	98.7	Very high	98.6	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.011	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	31.3	-176.6	-76.6	167.7	0	0	0	111.7	I286 R287 Y290 Y291 W327 E331 W335	I286-L329 HydrophobicContact CG2-CD2 4.32Å; R287-L329 HydrophobicContact CG-CB 4.12Å; R287-L329 HydrophobicContact CG-CD2 4.18Å; R287-L329 PolarHBondContact NH1-O 2.96Å; Y290-L329 HydrophobicContact CD1-CD1 3.72Å; Y290-L329 HydrophobicContact CD1-CD2 4.16Å; Y290-L329 HydrophobicContact CD1-CG 4.44Å; Y290-L329 HydrophobicContact CD2-CD2 3.84Å; Y290-L329 HydrophobicContact CE1-CD1 4.04Å; Y290-L329 HydrophobicContact CG-CD1 4.04Å; Y290-L329 HydrophobicContact CG-CD2 3.58Å; Y290-L329 HydrophobicContact CG-CG 4.29Å; Y291-L329 HydrophobicContact CE2-CD1 4.34Å; W327-L329 HydrophobicContact CE3-CD2 3.48Å; W327-L329 VanDerWaalsContact CE3-CD2 3.48Å; W327-L329 HydrophobicContact CE3-CG 3.72Å; W327-L329 HydrophobicContact CH2-CD2 4.5Å; W327-L329 HydrophobicContact CZ3-CD2 3.31Å; W327-L329 HydrophobicContact CZ3-CG 3.95Å; L329-E331 WeakPolarHBondContact CA-OE2 3.24Å; L329-E331 PolarHBondContact N-OE2 3.2Å; L329-W335 VanDerWaalsContact C-CZ3 3.45Å; L329-W335 WeakPolarHBondContact O-CH2 3.43Å
330	G	98.4	Very high	98.6	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.011	C	C	.	.	S	Bend	trans	112.4	-10.1	-179.8	0	0	0	0	0	114.1	P243 H332 G333 E334	P243-G330 WeakPolarHBondContact CA-O 3.34Å; G330-H332 PolarHBondContact O-N 3.27Å; G330-G333 WeakPolarHBondContact O-CA 3.14Å; G330-G333 PolarHBondContact O-N 2.83Å; G330-E334 VanDerWaalsContact CA-O 3.25Å; G330-E334 WeakPolarHBondContact CA-O 3.48Å; G330-E334 PolarHBondContact N-O 3.05Å
331	E	98.8	Very high	98.6	Very high	12 Å²	12	2 Å²	2	6%	0.056	1%	0.011	C	C	.	.	G	3₁₀ helix	trans	-54.5	134.4	173.1	-63.2	90.7	165.2	0	0	110	R38 A240 D242 S328 L329 G333 E334 V343	R38-E331 IonicContact CZ-OE1 3.88Å; R38-E331 IonicContact NH1-OE1 2.91Å; R38-E331 PolarHBondContact NH1-OE1 2.83Å; R38-E331 IonicContact NH1-OE2 2.69Å; R38-E331 PolarHBondContact NH1-OE2 2.94Å; R38-E331 IonicContact NH2-OE1 3.95Å; R38-E331 PolarHBondContact NH2-OE1 3.4Å; A240-E331 HydrophobicContact CB-CG 4.07Å; D242-E331 WeakPolarHBondContact OD1-CA 3.33Å; D242-E331 WeakPolarHBondContact OD1-CB 3.35Å; D242-E331 VanDerWaalsContact OD1-CG 3.29Å; D242-E331 WeakPolarHBondContact OD1-CG 3.32Å; S328-E331 PolarHBondContact OG-O 2.67Å; S328-E331 PolarHBondContact OG-OE2 3.06Å; L329-E331 WeakPolarHBondContact CA-OE2 3.24Å; L329-E331 PolarHBondContact N-OE2 3.2Å; E331-G333 PolarHBondContact O-N 2.81Å; E331-G333 VanDerWaalsContact O-N 3.11Å; E331-E334 WeakPolarHBondContact O-CB 3.31Å; E331-E334 PolarHBondContact O-N 3.13Å; E331-V343 HydrophobicContact CB-CG1 4.29Å; E331-V343 HydrophobicContact CB-CG2 4.42Å; E331-V343 HydrophobicContact CG-CG1 4Å
332	H	98.6	Very high	98.6	Very high	1 Å²	1	2.9 Å²	2.9	1%	0.005	2%	0.016	C	C	.	.	G	3₁₀ helix	trans	56.8	20.7	-175.3	-45.8	116.2	0	0	0	115	D242 D244 V245 P246 G330 E334 F341 E513 E514 D515	D242-H332 PolarHBondContact O-N 3.06Å; D242-H332 IonicContact OD2-CD2 3.07Å; D242-H332 PolarHBondContact OD2-CD2 2.81Å; D242-H332 VanDerWaalsContact OD2-CD2 3.27Å; D242-H332 IonicContact OD2-CE1 2.71Å; D242-H332 IonicContact OD2-CG 3.59Å; D242-H332 IonicContact OD2-NE2 3.54Å; D242-H332 PolarHBondContact OD2-NE2 2.94Å; D244-H332 CarbonylContact O-C 3.46Å; V245-H332 WeakPolarHBondContact CA-O 3.31Å; P246-H332 HydrophobicContact CG-CB 4Å; G330-H332 PolarHBondContact O-N 3.27Å; H332-E334 HydrophobicContact CB-CG 4.44Å; H332-E334 PolarHBondContact O-N 3.27Å; H332-F341 HydrophobicContact CB-CE2 4.22Å; H332-F341 HydrophobicContact CB-CZ 4.35Å; H332-F341 AromaticContact CE1-CD1 3.69Å; H332-F341 AromaticContact CE1-CE1 3.64Å; H332-F341 AromaticContact CE1-CZ 3.99Å; H332-F341 AromaticContact CG-CE2 3.97Å; H332-F341 AromaticContact CG-CZ 3.79Å; H332-F341 AromaticContact ND1-CD1 3.78Å; H332-F341 AromaticContact ND1-CD2 3.68Å; H332-F341 AromaticContact ND1-CE1 3.67Å; H332-F341 AromaticContact ND1-CE2 3.58Å; H332-F341 AromaticContact ND1-CG 3.79Å; H332-F341 AromaticContact ND1-CZ 3.56Å; H332-E513 PolarHBondContact CE1-O 3.34Å; H332-E513 PolarHBondContact NE2-O 3.11Å; H332-E514 PolarHBondContact NE2-O 3.01Å; H332-D515 IonicContact CD2-OD1 3.27Å; H332-D515 PolarHBondContact CD2-OD1 3.15Å; H332-D515 VanDerWaalsContact CD2-OD1 3.25Å; H332-D515 IonicContact NE2-OD1 2.94Å; H332-D515 PolarHBondContact NE2-OD1 2.93Å
333	G	98.2	Very high	98.6	Very high	7 Å²	7	4.1 Å²	4.1	7%	0.072	2%	0.023	C	C	.	.	G	3₁₀ helix	trans	63.7	16.5	-170	0	0	0	0	0	113.6	P243 Y254 G330 E331	P243-G333 WeakPolarHBondContact O-CA 3.44Å; Y254-G333 PolarHBondContact OH-O 2.62Å; G330-G333 WeakPolarHBondContact O-CA 3.14Å; G330-G333 PolarHBondContact O-N 2.83Å; E331-G333 PolarHBondContact O-N 2.81Å; E331-G333 VanDerWaalsContact O-N 3.11Å
334	E	98.6	Very high	98.5	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.023	C	C	.	.			trans	-90.1	158.5	174.7	-68.4	-166.2	170.3	0	0	111.4	Y254 N255 S328 G330 E331 H332 S339	Y254-E334 WeakPolarHBondContact CA-OE1 3.44Å; Y254-E334 HydrophobicContact CD2-CG 3.8Å; Y254-E334 HydrophobicContact CE2-CG 3.58Å; N255-E334 VanDerWaalsContact OD1-CD 3.27Å; N255-E334 PolarHBondContact OD1-OE2 3.34Å; N255-E334 VanDerWaalsContact OD1-OE2 3.06Å; S328-E334 PolarHBondContact OG-O 2.74Å; G330-E334 VanDerWaalsContact CA-O 3.25Å; G330-E334 WeakPolarHBondContact CA-O 3.48Å; G330-E334 PolarHBondContact N-O 3.05Å; E331-E334 WeakPolarHBondContact O-CB 3.31Å; E331-E334 PolarHBondContact O-N 3.13Å; H332-E334 HydrophobicContact CB-CG 4.44Å; H332-E334 PolarHBondContact O-N 3.27Å; E334-S339 WeakPolarHBondContact OE2-CB 3.46Å; E334-S339 PolarHBondContact OE2-OG 2.73Å
335	W	98.7	Very high	98.5	Very high	3 Å²	3	4.1 Å²	4.1	1%	0.011	2%	0.023	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	159.7	172.6	-61.8	84.8	0	0	0	108.7	N255 W257 I278 Q283 I286 W327 S328 L329	N255-W335 PolarHBondContact ND2-O 3.17Å; W257-W335 HydrophobicContact CB-CB 3.91Å; W257-W335 WeakPolarHBondContact CB-O 3.41Å; W257-W335 HydrophobicContact CD2-CB 4.23Å; W257-W335 HydrophobicContact CD2-CG 4.44Å; W257-W335 AromaticContact CE2-CD1 3.82Å; W257-W335 HydrophobicContact CG-CB 3.86Å; W257-W335 HydrophobicContact CG-CG 4.47Å; W257-W335 AromaticContact NE1-CD1 3.96Å; I278-W335 HydrophobicContact CB-CZ2 4.33Å; I278-W335 HydrophobicContact CD1-CD2 3.82Å; I278-W335 HydrophobicContact CD1-CG 3.93Å; I278-W335 HydrophobicContact CD1-CZ2 4.2Å; Q283-W335 HydrophobicContact CB-CH2 3.7Å; Q283-W335 HydrophobicContact CB-CZ2 3.93Å; Q283-W335 HydrophobicContact CG-CH2 3.86Å; Q283-W335 HydrophobicContact CG-CZ2 3.52Å; I286-W335 HydrophobicContact CB-CH2 4.46Å; I286-W335 HydrophobicContact CB-CZ3 3.83Å; I286-W335 HydrophobicContact CD1-CD2 4.41Å; I286-W335 HydrophobicContact CD1-CE3 3.9Å; I286-W335 HydrophobicContact CD1-CH2 4.13Å; I286-W335 HydrophobicContact CD1-CZ3 3.74Å; I286-W335 HydrophobicContact CG1-CZ3 4.41Å; I286-W335 HydrophobicContact CG2-CE3 3.86Å; I286-W335 HydrophobicContact CG2-CZ3 3.47Å; I286-W335 VanDerWaalsContact CG2-CZ3 3.47Å; W327-W335 AromaticContact CH2-CE3 3.96Å; W327-W335 HydrophobicContact CH2-CE3 3.96Å; W327-W335 AromaticContact CZ3-CE3 3.91Å; W327-W335 HydrophobicContact CZ3-CE3 3.91Å; W327-W335 HydrophobicContact CZ3-CZ3 4.42Å; S328-W335 WeakPolarHBondContact O-CA 3.46Å; L329-W335 VanDerWaalsContact C-CZ3 3.45Å; L329-W335 WeakPolarHBondContact O-CH2 3.43Å
336	A	98.3	Very high	98.5	Very high	1 Å²	1	7.2 Å²	7.2	1%	0.008	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	68.5	-139	179.1	0	0	0	0	0	113.4	W257 V260 W327 S328 Y338 V344	W257-A336 HydrophobicContact CB-CB 4.45Å; V260-A336 HydrophobicContact CG2-CB 4.1Å; W327-A336 CarbonylContact C-O 3.57Å; W327-A336 VanDerWaalsContact CA-O 3.29Å; W327-A336 WeakPolarHBondContact CA-O 3.22Å; W327-A336 VanDerWaalsContact CE2-CA 3.42Å; W327-A336 HydrophobicContact CZ2-CB 4.27Å; S328-A336 PolarHBondContact N-O 3.14Å; S328-A336 PolarHBondContact O-N 2.85Å; A336-Y338 HydrophobicContact CB-CD2 4.46Å; A336-Y338 HydrophobicContact CB-CE2 4.11Å; A336-V344 WeakPolarHBondContact O-CG1 3.4Å
337	K	97.4	Very high	98.6	Very high	1 Å²	1	7.2 Å²	7.2	0%	0.004	4%	0.035	C	C	.	.	S	Bend	trans	-125.2	-142.6	-177.1	56.7	-85.2	-161	162	0	108	D36 A72 H219 N255 H325 S339 V344	D36-K337 VanDerWaalsContact CG-NZ 3.25Å; D36-K337 IonicContact OD1-NZ 3.47Å; D36-K337 PolarHBondContact OD1-NZ 2.73Å; D36-K337 IonicContact OD2-NZ 3.84Å; D36-K337 PolarHBondContact OD2-NZ 3.25Å; A72-K337 WeakPolarHBondContact O-CB 3.41Å; A72-K337 WeakPolarHBondContact O-CG 3.37Å; H219-K337 PolarHBondContact CD2-NZ 3.06Å; H219-K337 VanDerWaalsContact CD2-NZ 3.33Å; H219-K337 PolarHBondContact NE2-NZ 3.33Å; N255-K337 PolarHBondContact ND2-O 2.84Å; N255-K337 PolarHBondContact OD1-O 3.34Å; H325-K337 VanDerWaalsContact CE1-CG 3.45Å; H325-K337 WeakPolarHBondContact CE1-CG 3.36Å; K337-S339 PolarHBondContact O-N 2.97Å; K337-V344 HydrophobicContact CB-CG1 4.5Å
338	Y	98.5	Very high	98.6	Very high	15 Å²	15	7.2 Å²	7.2	6%	0.059	4%	0.035	C	C	.	.			trans	70.4	20.4	174.8	-33.8	-64.1	0	0	0	114.8	A72 V73 A336 Y449 R451 D461	A72-Y338 PolarHBondContact O-N 3.23Å; V73-Y338 HydrophobicContact CB-CD1 4.24Å; V73-Y338 HydrophobicContact CB-CE1 4.4Å; V73-Y338 HydrophobicContact CG2-CD1 4.14Å; V73-Y338 HydrophobicContact CG2-CE1 3.83Å; A336-Y338 HydrophobicContact CB-CD2 4.46Å; A336-Y338 HydrophobicContact CB-CE2 4.11Å; Y338-Y449 VanDerWaalsContact CA-CE2 3.49Å; Y338-Y449 VanDerWaalsContact CA-CZ 3.41Å; Y338-Y449 HydrophobicContact CD1-CE2 4.5Å; Y338-Y449 AromaticContact CD1-CZ 3.95Å; Y338-Y449 WeakPolarHBondContact CD1-OH 3.3Å; Y338-Y449 VanDerWaalsContact O-CD1 3.31Å; Y338-Y449 WeakPolarHBondContact O-CD1 3.46Å; Y338-Y449 WeakPolarHBondContact O-CE1 3.4Å; Y338-R451 PolarHBondContact O-NH1 3.25Å; Y338-R451 PolarHBondContact O-NH2 3.24Å; Y338-D461 VanDerWaalsContact CB-O 3.31Å; Y338-D461 WeakPolarHBondContact CB-O 3.43Å; Y338-D461 HydrophobicContact CD1-CB 4.38Å; Y338-D461 VanDerWaalsContact CD1-O 3.24Å; Y338-D461 WeakPolarHBondContact CD1-O 3.5Å; Y338-D461 HydrophobicContact CD2-CB 3.48Å; Y338-D461 VanDerWaalsContact CD2-CB 3.48Å; Y338-D461 WeakPolarHBondContact CD2-OD1 3.36Å; Y338-D461 HydrophobicContact CE2-CB 3.83Å; Y338-D461 HydrophobicContact CG-CB 3.75Å
339	S	98.7	Very high	98.6	Very high	2 Å²	2	7.2 Å²	7.2	1%	0.014	4%	0.035	C	C	.	.	S	Bend	trans	-123.5	-174.7	178.4	-172.1	0	0	0	0	108.6	A72 E334 K337 F341 V344	A72-S339 WeakPolarHBondContact CB-O 3.34Å; E334-S339 WeakPolarHBondContact OE2-CB 3.46Å; E334-S339 PolarHBondContact OE2-OG 2.73Å; K337-S339 PolarHBondContact O-N 2.97Å; S339-F341 VanDerWaalsContact OG-CD2 3.3Å; S339-F341 WeakPolarHBondContact OG-CD2 3.37Å; S339-V344 VanDerWaalsContact C-CG2 3.44Å; S339-V344 WeakPolarHBondContact O-CG2 3.5Å
340	N	98.8	Very high	98.6	Very high	1 Å²	1	7.2 Å²	7.2	1%	0.005	4%	0.035	C	C	.	.			trans	-121.8	-16.3	-170.4	-128.5	-5.4	0	0	0	109.3	T345 G472 R481 W485	N340-T345 WeakPolarHBondContact O-CG2 3.48Å; N340-G472 PolarHBondContact ND2-O 2.95Å; N340-R481 PolarHBondContact O-NE 3.37Å; N340-R481 PolarHBondContact O-NH2 2.91Å; N340-W485 HydrophobicContact CB-CZ2 4.43Å
341	F	98.8	Very high	98.6	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.035	C	C	.	.	S	Bend	trans	-50	157.1	173.7	-75.7	-67.2	0	0	0	114.1	L249 H332 S339 V343 V344 T345 Y506 E514	L249-F341 HydrophobicContact CD1-CE2 3.89Å; L249-F341 HydrophobicContact CD1-CZ 3.59Å; L249-F341 HydrophobicContact CD2-CE2 4.21Å; L249-F341 HydrophobicContact CD2-CZ 4.31Å; H332-F341 HydrophobicContact CB-CE2 4.22Å; H332-F341 HydrophobicContact CB-CZ 4.35Å; H332-F341 AromaticContact CE1-CD1 3.69Å; H332-F341 AromaticContact CE1-CE1 3.64Å; H332-F341 AromaticContact CE1-CZ 3.99Å; H332-F341 AromaticContact CG-CE2 3.97Å; H332-F341 AromaticContact CG-CZ 3.79Å; H332-F341 AromaticContact ND1-CD1 3.78Å; H332-F341 AromaticContact ND1-CD2 3.68Å; H332-F341 AromaticContact ND1-CE1 3.67Å; H332-F341 AromaticContact ND1-CE2 3.58Å; H332-F341 AromaticContact ND1-CG 3.79Å; H332-F341 AromaticContact ND1-CZ 3.56Å; S339-F341 VanDerWaalsContact OG-CD2 3.3Å; S339-F341 WeakPolarHBondContact OG-CD2 3.37Å; F341-V343 VanDerWaalsContact C-N 3.27Å; F341-V343 HydrophobicContact CB-CG2 3.98Å; F341-V343 PolarHBondContact O-N 3.45Å; F341-V344 VanDerWaalsContact O-CG2 3.31Å; F341-V344 WeakPolarHBondContact O-CG2 3.31Å; F341-V344 PolarHBondContact O-N 2.87Å; F341-T345 PolarHBondContact O-N 3.12Å; F341-T345 PolarHBondContact O-OG1 2.65Å; F341-Y506 HydrophobicContact CD1-CE2 4.5Å; F341-Y506 AromaticContact CE1-CE2 3.92Å; F341-Y506 HydrophobicContact CE1-CE2 3.92Å; F341-Y506 AromaticContact CE1-CZ 3.76Å; F341-E514 HydrophobicContact CD1-CB 3.92Å; F341-E514 WeakPolarHBondContact CD1-OE2 3.3Å; F341-E514 HydrophobicContact CE1-CB 3.91Å
342	D	98.6	Very high	98.6	Very high	17 Å²	17	6.9 Å²	6.9	9%	0.091	3%	0.033	C	C	.	.	H	α-helix	trans	-57.4	-39.9	177.6	-88.8	11.3	0	0	0	111.6	F68 V344 T345 R346 R476 E514	F68-D342 WeakPolarHBondContact CE1-OD1 3.41Å; D342-V344 PolarHBondContact O-N 3.29Å; D342-T345 PolarHBondContact O-N 3.07Å; D342-R346 WeakPolarHBondContact O-CA 3.49Å; D342-R346 WeakPolarHBondContact O-CB 3.4Å; D342-R346 PolarHBondContact O-N 3.27Å; D342-R476 VanDerWaalsContact CG-NE 3.31Å; D342-R476 WeakPolarHBondContact OD1-CD 3.29Å; D342-R476 IonicContact OD1-CZ 3.41Å; D342-R476 IonicContact OD1-NE 3.53Å; D342-R476 PolarHBondContact OD1-NE 2.87Å; D342-R476 IonicContact OD2-CZ 2.73Å; D342-R476 IonicContact OD2-NE 3.45Å; D342-R476 PolarHBondContact OD2-NE 2.86Å; D342-R476 IonicContact OD2-NH2 3.25Å; D342-R476 PolarHBondContact OD2-NH2 2.84Å; D342-E514 WeakPolarHBondContact CB-OE2 3.37Å; D342-E514 PolarHBondContact N-OE2 3.01Å
343	V	98.2	Very high	98.4	Very high	26 Å²	26	7.3 Å²	7.3	16%	0.158	4%	0.036	C	C	.	.	H	α-helix	trans	-59.2	-23.8	-177.7	-65.6	0	0	0	0	114.4	W327 E331 F341	W327-V343 PolarHBondContact N-O 3.18Å; W327-V343 VanDerWaalsContact N-O 3.14Å; E331-V343 HydrophobicContact CB-CG1 4.29Å; E331-V343 HydrophobicContact CB-CG2 4.42Å; E331-V343 HydrophobicContact CG-CG1 4Å; F341-V343 VanDerWaalsContact C-N 3.27Å; F341-V343 HydrophobicContact CB-CG2 3.98Å; F341-V343 PolarHBondContact O-N 3.45Å
344	V	98.4	Very high	98.2	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-109.2	-18.5	177.5	-62.1	0	0	0	0	113.8	A72 G326 A336 K337 S339 F341 D342	A72-V344 HydrophobicContact CB-CB 4.01Å; A72-V344 HydrophobicContact CB-CG2 3.93Å; A72-V344 WeakPolarHBondContact CB-O 3.34Å; G326-V344 WeakPolarHBondContact CA-O 3.34Å; G326-V344 PolarHBondContact N-O 3.49Å; A336-V344 WeakPolarHBondContact O-CG1 3.4Å; K337-V344 HydrophobicContact CB-CG1 4.5Å; S339-V344 VanDerWaalsContact C-CG2 3.44Å; S339-V344 WeakPolarHBondContact O-CG2 3.5Å; F341-V344 VanDerWaalsContact O-CG2 3.31Å; F341-V344 WeakPolarHBondContact O-CG2 3.31Å; F341-V344 PolarHBondContact O-N 2.87Å; D342-V344 PolarHBondContact O-N 3.29Å
345	T	98.8	Very high	97.9	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.006	6%	0.057	C	C	.	.	H	α-helix	trans	-100.3	-30	-180	55.6	0	0	0	0	113	F68 A69 A72 N340 F341 D342	F68-T345 CarbonylContact C-O 3.19Å; F68-T345 VanDerWaalsContact CA-O 3.25Å; F68-T345 WeakPolarHBondContact CA-O 3.36Å; A69-T345 PolarHBondContact N-O 3.08Å; A72-T345 HydrophobicContact CB-CG2 4.29Å; N340-T345 WeakPolarHBondContact O-CG2 3.48Å; F341-T345 PolarHBondContact O-N 3.12Å; F341-T345 PolarHBondContact O-OG1 2.65Å; D342-T345 PolarHBondContact O-N 3.07Å
346	R	98.8	Very high	97.6	Very high	64 Å²	64	11.6 Å²	11.6	24%	0.242	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	128	177.3	-168.6	-179.5	173.4	-160.3	-5.7	110.4	T39 L65 A67 F68 D342	T39-R346 HydrophobicContact CG2-CG 4.1Å; L65-R346 PolarHBondContact O-NE 3.2Å; L65-R346 PolarHBondContact O-NH2 2.94Å; A67-R346 WeakPolarHBondContact O-CA 3.47Å; F68-R346 HydrophobicContact CD1-CB 3.96Å; F68-R346 HydrophobicContact CE1-CB 3.61Å; F68-R346 HydrophobicContact CE1-CG 3.99Å; F68-R346 HydrophobicContact CZ-CB 4.26Å; F68-R346 HydrophobicContact CZ-CG 4.14Å; D342-R346 WeakPolarHBondContact O-CA 3.49Å; D342-R346 WeakPolarHBondContact O-CB 3.4Å; D342-R346 PolarHBondContact O-N 3.27Å
347	V	98.9	Very high	97.4	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	152.9	-174.5	-69.2	0	0	0	0	111	A67 A69 L393	A67-V347 HydrophobicContact CB-CG2 4.16Å; A67-V347 WeakPolarHBondContact O-CG2 3.43Å; A67-V347 PolarHBondContact O-N 3.48Å; A69-V347 HydrophobicContact CB-CG1 4.4Å; V347-L393 HydrophobicContact CG2-CD1 4.27Å; V347-L393 HydrophobicContact CG2-CD2 3.77Å; V347-L393 HydrophobicContact CG2-CG 4.02Å
348	P	98.8	Very high	97	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.082	C	C	.	.			trans	-64.7	140	167.1	27.8	-33.4	0	0	0	110.2	L37 L41 Y44 F321 T322	L37-P348 HydrophobicContact CD2-CG 3.89Å; L37-P348 HydrophobicContact CG-CG 4.12Å; L37-P348 WeakPolarHBondContact O-CD 3.48Å; L41-P348 HydrophobicContact CD1-CB 3.81Å; L41-P348 HydrophobicContact CD1-CG 4.18Å; Y44-P348 HydrophobicContact CD2-CB 4.49Å; Y44-P348 HydrophobicContact CE2-CB 3.78Å; Y44-P348 WeakPolarHBondContact OH-CA 3.22Å; F321-P348 HydrophobicContact CD1-CB 4.48Å; F321-P348 HydrophobicContact CE1-CB 4.19Å; F321-P348 HydrophobicContact CE1-CG 4.09Å; T322-P348 WeakPolarHBondContact CA-O 3.29Å; T322-P348 WeakPolarHBondContact CB-O 3.49Å; T322-P348 PolarHBondContact OG1-O 3.11Å
349	L	98.9	Very high	96.3	Very high	0 Å²	0	18 Å²	18	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	113.4	166.6	179.9	62.3	0	0	0	109.6	Y44 F64 A67 V320 F321 M351 V391 I396	Y44-L349 PolarHBondContact OH-N 3.15Å; Y44-L349 PolarHBondContact OH-O 2.9Å; Y44-L349 VanDerWaalsContact OH-O 3.11Å; F64-L349 HydrophobicContact CB-CB 4.17Å; F64-L349 HydrophobicContact CB-CD2 4.28Å; F64-L349 HydrophobicContact CB-CG 4.41Å; F64-L349 HydrophobicContact CD2-CB 4.35Å; F64-L349 HydrophobicContact CD2-CD2 3.86Å; F64-L349 HydrophobicContact CD2-CG 3.79Å; F64-L349 HydrophobicContact CE2-CD2 4.36Å; F64-L349 HydrophobicContact CE2-CG 4.43Å; F64-L349 HydrophobicContact CG-CD2 4.09Å; F64-L349 HydrophobicContact CG-CG 4.35Å; F64-L349 PolarHBondContact N-O 3.31Å; A67-L349 HydrophobicContact CB-CB 3.61Å; A67-L349 HydrophobicContact CB-CD2 4Å; A67-L349 HydrophobicContact CB-CG 4.48Å; V320-L349 HydrophobicContact CG1-CD1 4.38Å; F321-L349 WeakPolarHBondContact O-CA 3.36Å; L349-M351 HydrophobicContact CD1-CE 3.73Å; L349-M351 HydrophobicContact CD2-CE 4.1Å; L349-M351 HydrophobicContact CG-CE 4.13Å; L349-V391 HydrophobicContact CD2-CG2 4.05Å; L349-I396 HydrophobicContact CD1-CD1 3.78Å; L349-I396 HydrophobicContact CD1-CG1 4.06Å; L349-I396 HydrophobicContact CD2-CG1 4.46Å
350	I	98.9	Very high	95.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	131.2	-178.3	-54.1	168.5	0	0	0	107.9	Y44 I54 L57 A58 Q62 V63 V320 F321	Y44-I350 HydrophobicContact CE2-CD1 4.22Å; Y44-I350 HydrophobicContact CE2-CG1 4.21Å; I54-I350 HydrophobicContact CG2-CD1 3.69Å; L57-I350 HydrophobicContact CD2-CG2 4.34Å; L57-I350 HydrophobicContact CG-CG2 4.11Å; A58-I350 HydrophobicContact CB-CD1 4.24Å; Q62-I350 WeakPolarHBondContact O-CA 3.39Å; V63-I350 HydrophobicContact CG1-CG1 4.4Å; V63-I350 HydrophobicContact CG2-CG1 4.46Å; V63-I350 HydrophobicContact CG2-CG2 4.42Å; V320-I350 WeakPolarHBondContact CA-O 3.26Å; F321-I350 HydrophobicContact CB-CB 4.29Å; F321-I350 HydrophobicContact CD1-CD1 4.03Å; F321-I350 PolarHBondContact N-O 3.39Å; F321-I350 PolarHBondContact O-N 2.8Å
351	M	98.6	Very high	94.6	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	113.4	179	-63.6	-170.4	-174.2	0	0	110.8	S61 Q62 F64 V319 V320 L349 I396 T399 F432	S61-M351 WeakPolarHBondContact CB-O 3.29Å; Q62-M351 PolarHBondContact N-O 2.81Å; Q62-M351 PolarHBondContact O-N 3.08Å; F64-M351 HydrophobicContact CE2-CG 4.26Å; F64-M351 HydrophobicContact CE2-SD 4.21Å; V319-M351 WeakPolarHBondContact O-CA 3.48Å; V320-M351 HydrophobicContact CG1-CE 4.38Å; V320-M351 HydrophobicContact CG1-CG 4.35Å; V320-M351 HydrophobicContact CG2-CG 4.44Å; L349-M351 HydrophobicContact CD1-CE 3.73Å; L349-M351 HydrophobicContact CD2-CE 4.1Å; L349-M351 HydrophobicContact CG-CE 4.13Å; M351-I396 HydrophobicContact CE-CG1 4.28Å; M351-T399 HydrophobicContact CE-CG2 4.32Å; M351-T399 HydrophobicContact SD-CG2 4.01Å; M351-F432 HydrophobicContact CB-CE1 3.99Å; M351-F432 HydrophobicContact CB-CZ 3.74Å; M351-F432 HydrophobicContact CG-CZ 4.29Å; M351-F432 HydrophobicContact SD-CE2 4.29Å; M351-F432 HydrophobicContact SD-CZ 3.7Å
352	F	98.1	Very high	93.7	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.018	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	126	168.8	173.3	-110.5	0	0	0	109.2	L57 K60 S61 T314 M318 V319 P354 A358 F368	L57-F352 HydrophobicContact CD1-CB 3.87Å; K60-F352 HydrophobicContact CB-CD2 4.06Å; K60-F352 HydrophobicContact CB-CE2 4.14Å; K60-F352 WeakPolarHBondContact O-CD2 3.49Å; S61-F352 WeakPolarHBondContact OG-CA 3.37Å; S61-F352 WeakPolarHBondContact OG-CB 3.48Å; S61-F352 PolarHBondContact OG-N 3.4Å; T314-F352 HydrophobicContact CG2-CE1 3.87Å; T314-F352 HydrophobicContact CG2-CZ 3.82Å; M318-F352 WeakPolarHBondContact CA-O 3.46Å; M318-F352 VanDerWaalsContact CG-O 3.31Å; M318-F352 WeakPolarHBondContact CG-O 3.24Å; V319-F352 HydrophobicContact CB-CB 4.02Å; V319-F352 HydrophobicContact CB-CD1 4.34Å; V319-F352 HydrophobicContact CG2-CD1 4.02Å; V319-F352 PolarHBondContact N-O 3.34Å; V319-F352 PolarHBondContact O-N 3.27Å; F352-P354 HydrophobicContact CD1-CG 4.33Å; F352-P354 HydrophobicContact CE1-CG 3.63Å; F352-P354 HydrophobicContact CZ-CB 4.47Å; F352-P354 HydrophobicContact CZ-CG 4.03Å; F352-A358 HydrophobicContact CE2-CB 4.19Å; F352-F368 HydrophobicContact CD1-CE2 4.21Å; F352-F368 HydrophobicContact CD1-CZ 4.2Å; F352-F368 AromaticContact CD2-CZ 3.83Å; F352-F368 HydrophobicContact CD2-CZ 3.83Å; F352-F368 AromaticContact CE1-CE2 3.98Å; F352-F368 HydrophobicContact CE1-CE2 3.98Å; F352-F368 HydrophobicContact CE1-CZ 4.2Å; F352-F368 HydrophobicContact CE2-CE2 4.36Å; F352-F368 AromaticContact CE2-CZ 3.86Å; F352-F368 HydrophobicContact CE2-CZ 3.86Å; F352-F368 HydrophobicContact CG-CE2 4.48Å; F352-F368 HydrophobicContact CG-CZ 4.01Å; F352-F368 HydrophobicContact CZ-CE2 4.07Å; F352-F368 HydrophobicContact CZ-CZ 4.04Å
353	V	96.3	Very high	92.6	Very high	10 Å²	10	35.1 Å²	35.1	6%	0.061	21%	0.214	C	C	.	.			trans	-130.4	111.8	175.4	-176.6	0	0	0	0	108.5	M318 G355 V356 T357 M403 F432	M318-V353 HydrophobicContact CE-CG2 4.38Å; M318-V353 HydrophobicContact CG-CG2 4.16Å; V353-G355 PolarHBondContact O-N 2.91Å; V353-V356 HydrophobicContact CB-CB 3.95Å; V353-V356 HydrophobicContact CB-CG2 4.47Å; V353-V356 HydrophobicContact CG1-CB 3.74Å; V353-V356 HydrophobicContact CG1-CG2 3.72Å; V353-V356 PolarHBondContact O-N 2.92Å; V353-T357 HydrophobicContact CB-CG2 4.2Å; V353-T357 HydrophobicContact CG2-CG2 4.47Å; V353-T357 PolarHBondContact N-OG1 3.05Å; V353-T357 PolarHBondContact O-N 3.25Å; V353-T357 PolarHBondContact O-OG1 3.41Å; V353-M403 HydrophobicContact CB-CE 4.11Å; V353-M403 HydrophobicContact CG1-CE 3.74Å; V353-M403 HydrophobicContact CG2-CE 3.72Å; V353-F432 HydrophobicContact CG2-CD1 4.38Å; V353-F432 HydrophobicContact CG2-CE1 3.99Å
354	P	93.5	Very high	91.5	Very high	13 Å²	13	38 Å²	38	8%	0.084	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-55.2	133.8	-179	-25.3	33.3	0	0	0	112.4	T314 D315 T317 F352 V356 Y360	T314-P354 WeakPolarHBondContact O-CG 3.36Å; D315-P354 VanDerWaalsContact O-CB 3.27Å; D315-P354 WeakPolarHBondContact O-CB 3.28Å; T317-P354 WeakPolarHBondContact O-CD 3.25Å; T317-P354 VanDerWaalsContact O-CG 3.31Å; T317-P354 WeakPolarHBondContact O-CG 3.31Å; F352-P354 HydrophobicContact CD1-CG 4.33Å; F352-P354 HydrophobicContact CE1-CG 3.63Å; F352-P354 HydrophobicContact CZ-CB 4.47Å; F352-P354 HydrophobicContact CZ-CG 4.03Å; P354-V356 PolarHBondContact O-N 3.27Å; P354-V356 VanDerWaalsContact O-N 3.12Å; P354-Y360 HydrophobicContact CB-CD1 4.39Å; P354-Y360 HydrophobicContact CB-CE1 3.76Å
355	G	91.8	Very high	90.9	Very high	42 Å²	42	44 Å²	44	43%	0.433	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.9	-3.2	-178.7	0	0	0	0	0	115.2	V353 A358	V353-G355 PolarHBondContact O-N 2.91Å; G355-A358 WeakPolarHBondContact CA-O 3.46Å; G355-A358 PolarHBondContact N-O 3.42Å
356	V	93.3	Very high	90.5	Very high	45 Å²	45	47.1 Å²	47.1	27%	0.273	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-52.3	177.3	179.4	0	0	0	0	111.5	V353 P354 M403 F432 Y433	V353-V356 HydrophobicContact CB-CB 3.95Å; V353-V356 HydrophobicContact CB-CG2 4.47Å; V353-V356 HydrophobicContact CG1-CB 3.74Å; V353-V356 HydrophobicContact CG1-CG2 3.72Å; V353-V356 PolarHBondContact O-N 2.92Å; P354-V356 PolarHBondContact O-N 3.27Å; P354-V356 VanDerWaalsContact O-N 3.12Å; V356-M403 HydrophobicContact CG1-CE 4.16Å; V356-F432 HydrophobicContact CG1-CB 3.98Å; V356-F432 HydrophobicContact CG1-CD1 4.3Å; V356-Y433 HydrophobicContact CG1-CE1 3.97Å; V356-Y433 HydrophobicContact CG2-CE1 4.44Å
357	T	93.1	Very high	90.3	Very high	18 Å²	18	44.8 Å²	44.8	11%	0.11	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-24.1	179.7	60.7	0	0	0	0	113	K60 Q62 V353 F432	K60-T357 CarbonylContact O-C 3.57Å; K60-T357 VanDerWaalsContact O-CB 3.3Å; K60-T357 WeakPolarHBondContact O-CB 3.42Å; K60-T357 PolarHBondContact O-OG1 3.04Å; Q62-T357 HydrophobicContact CB-CG2 4.14Å; V353-T357 HydrophobicContact CB-CG2 4.2Å; V353-T357 HydrophobicContact CG2-CG2 4.47Å; V353-T357 PolarHBondContact N-OG1 3.05Å; V353-T357 PolarHBondContact O-N 3.25Å; V353-T357 PolarHBondContact O-OG1 3.41Å; T357-F432 HydrophobicContact CG2-CD1 3.73Å; T357-F432 HydrophobicContact CG2-CE1 3.83Å
358	A	88.9	Confident	90.2	Very high	20 Å²	20	44.8 Å²	44.8	17%	0.165	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-145	148.5	172.1	0	0	0	0	0	110.4	K60 F352 G355	K60-A358 HydrophobicContact CB-CB 4.03Å; K60-A358 HydrophobicContact CD-CB 4.16Å; F352-A358 HydrophobicContact CE2-CB 4.19Å; G355-A358 WeakPolarHBondContact CA-O 3.46Å; G355-A358 PolarHBondContact N-O 3.42Å
359	S	85.1	Confident	90.1	Very high	114 Å²	114	47.5 Å²	47.5	80%	0.797	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-61.1	148.5	167.9	-59.3	0	0	0	0	110.3
360	Y	83.9	Confident	90.1	Very high	141 Å²	141	51.5 Å²	51.5	55%	0.553	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-57.1	141.6	171.4	-58.6	-63.3	0	0	0	110.7	D315 P354	D315-Y360 HydrophobicContact CB-CD1 3.69Å; D315-Y360 HydrophobicContact CB-CE1 4.06Å; D315-Y360 WeakPolarHBondContact OD1-CD1 3.2Å; P354-Y360 HydrophobicContact CB-CD1 4.39Å; P354-Y360 HydrophobicContact CB-CE1 3.76Å
361	S	77.9	Confident	90	Very high	34 Å²	34	51.7 Å²	51.7	24%	0.238	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-69.1	148	179.2	-70.1	0	0	0	0	110.9	T367	S361-T367 PolarHBondContact OG-OG1 2.94Å
362	S	79.3	Confident	90	Very high	63 Å²	63	54 Å²	54	44%	0.441	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-65.5	150.5	174.5	-47.4	0	0	0	0	109.5	G364 E365	S362-G364 PolarHBondContact O-N 3.23Å; S362-E365 WeakPolarHBondContact CB-OE2 3.36Å; S362-E365 PolarHBondContact N-OE2 3.48Å; S362-E365 PolarHBondContact O-N 3.47Å; S362-E365 PolarHBondContact OG-OE2 3.39Å
363	P	75.4	Confident	90	Very high	141 Å²	141	53.8 Å²	53.8	92%	0.916	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	119.4	176	-26.5	34.5	0	0	0	111.7
364	G	74.6	Confident	90.1	Very high	88 Å²	88	56 Å²	56	91%	0.907	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.1	-3.7	-179.3	0	0	0	0	0	115.8	S362	S362-G364 PolarHBondContact O-N 3.23Å
365	E	85.8	Confident	90.2	Very high	126 Å²	126	59.9 Å²	59.9	59%	0.589	37%	0.374	S	S	*	.			trans	-89.3	138.9	170.9	-67.9	-178.8	153.6	0	0	111.2	S362	S362-E365 WeakPolarHBondContact CB-OE2 3.36Å; S362-E365 PolarHBondContact N-OE2 3.48Å; S362-E365 PolarHBondContact O-N 3.47Å; S362-E365 PolarHBondContact OG-OE2 3.39Å
366	S	91.3	Very high	90.3	Very high	65 Å²	65	62 Å²	62	46%	0.455	37%	0.373	S	S	.	.			trans	-91.5	128.2	173.3	-176.4	0	0	0	0	109.3	D309 P369	D309-S366 WeakPolarHBondContact OD2-CA 3.42Å; D309-S366 WeakPolarHBondContact OD2-CB 3.31Å; D309-S366 PolarHBondContact OD2-OG 2.8Å; S366-P369 WeakPolarHBondContact OG-CA 3.26Å; S366-P369 WeakPolarHBondContact OG-CD 3.22Å
367	T	94.2	Very high	90	Very high	15 Å²	15	61.5 Å²	61.5	9%	0.092	37%	0.371	C	S	.	.	S	Bend	trans	-76.8	-42.4	176.4	-45.6	0	0	0	0	111.3	K60 D309 T314 S361 P369	K60-T367 HydrophobicContact CG-CG2 4.24Å; D309-T367 WeakPolarHBondContact OD1-CB 3.44Å; D309-T367 WeakPolarHBondContact OD2-CA 3.36Å; D309-T367 PolarHBondContact OD2-N 2.84Å; T314-T367 HydrophobicContact CG2-CG2 4.03Å; S361-T367 PolarHBondContact OG-OG1 2.94Å; T367-P369 VanDerWaalsContact C-CD 3.49Å
368	F	96.8	Very high	89.6	Confident	1 Å²	1	67.3 Å²	67.3	0%	0.004	40%	0.397	C	S	.	.	S	Bend	trans	-128.6	62.4	-176.6	-52.4	-60	0	0	0	112.4	Q56 L57 K60 L305 S306 D309 T314 F352 F370	Q56-F368 HydrophobicContact CG-CD1 4.32Å; Q56-F368 VanDerWaalsContact OE1-C 3.31Å; L57-F368 HydrophobicContact CD1-CE1 3.99Å; L57-F368 HydrophobicContact CD1-CZ 3.91Å; K60-F368 HydrophobicContact CB-CE1 4Å; K60-F368 HydrophobicContact CB-CZ 4.22Å; K60-F368 HydrophobicContact CG-CE1 3.95Å; L305-F368 HydrophobicContact CB-CB 3.7Å; L305-F368 HydrophobicContact CB-CD2 4.36Å; L305-F368 HydrophobicContact CB-CG 4.11Å; S306-F368 VanDerWaalsContact CA-O 3.25Å; S306-F368 WeakPolarHBondContact CA-O 3.41Å; S306-F368 WeakPolarHBondContact CB-O 3.42Å; D309-F368 PolarHBondContact OD2-N 3.32Å; T314-F368 HydrophobicContact CG2-CD2 4Å; T314-F368 HydrophobicContact CG2-CE2 3.67Å; F352-F368 HydrophobicContact CD1-CE2 4.21Å; F352-F368 HydrophobicContact CD1-CZ 4.2Å; F352-F368 AromaticContact CD2-CZ 3.83Å; F352-F368 HydrophobicContact CD2-CZ 3.83Å; F352-F368 AromaticContact CE1-CE2 3.98Å; F352-F368 HydrophobicContact CE1-CE2 3.98Å; F352-F368 HydrophobicContact CE1-CZ 4.2Å; F352-F368 HydrophobicContact CE2-CE2 4.36Å; F352-F368 AromaticContact CE2-CZ 3.86Å; F352-F368 HydrophobicContact CE2-CZ 3.86Å; F352-F368 HydrophobicContact CG-CE2 4.48Å; F352-F368 HydrophobicContact CG-CZ 4.01Å; F352-F368 HydrophobicContact CZ-CE2 4.07Å; F352-F368 HydrophobicContact CZ-CZ 4.04Å; F368-F370 PolarHBondContact O-N 3.33Å
369	P	96.8	Very high	89.5	Confident	56 Å²	56	71.7 Å²	71.7	36%	0.364	41%	0.41	S	S	.	.			trans	-62.8	135.7	173.9	27	-33.6	0	0	0	109.7	Q56 S366 T367 I371	Q56-P369 PolarHBondContact NE2-O 2.84Å; Q56-P369 PolarHBondContact OE1-O 2.98Å; S366-P369 WeakPolarHBondContact OG-CA 3.26Å; S366-P369 WeakPolarHBondContact OG-CD 3.22Å; T367-P369 VanDerWaalsContact C-CD 3.49Å; P369-I371 PolarHBondContact O-N 3.46Å
370	F	98.1	Very high	89.5	Confident	85 Å²	85	71 Å²	71	37%	0.373	41%	0.405	S	S	.	.			trans	-58.3	129.3	178.8	177	-112.4	0	0	0	111.3	A299 R303 F368 D372	A299-F370 HydrophobicContact CB-CE2 4.42Å; A299-F370 WeakPolarHBondContact O-CE2 3.47Å; R303-F370 HydrophobicContact CG-CD2 4.27Å; R303-F370 HydrophobicContact CG-CE2 3.98Å; F368-F370 PolarHBondContact O-N 3.33Å; F370-D372 HydrophobicContact CE1-CB 3.86Å; F370-D372 HydrophobicContact CZ-CB 4.35Å
371	I	98.3	Very high	89.9	Confident	4 Å²	4	67 Å²	67	2%	0.021	39%	0.39	C	S	.	.			trans	-108.9	116.5	173.1	-55.8	174.4	0	0	0	108.2	P52 N53 Q56 P369 V373 Q376 Y379 F381	P52-I371 HydrophobicContact CB-CB 4.2Å; P52-I371 HydrophobicContact CB-CD1 4.13Å; P52-I371 HydrophobicContact CB-CG2 3.8Å; P52-I371 HydrophobicContact CG-CB 4.26Å; P52-I371 HydrophobicContact CG-CG2 3.82Å; N53-I371 PolarHBondContact ND2-O 3.25Å; N53-I371 PolarHBondContact OD1-N 3.23Å; N53-I371 PolarHBondContact OD1-O 2.76Å; Q56-I371 HydrophobicContact CB-CD1 4.48Å; P369-I371 PolarHBondContact O-N 3.46Å; I371-V373 PolarHBondContact O-N 3.44Å; I371-V373 VanDerWaalsContact O-N 3.17Å; I371-Q376 HydrophobicContact CG2-CB 3.89Å; I371-Y379 HydrophobicContact CD1-CD1 3.94Å; I371-Y379 HydrophobicContact CD1-CD2 4.33Å; I371-Y379 HydrophobicContact CD1-CE1 4.18Å; I371-Y379 HydrophobicContact CD1-CG 4.01Å; I371-Y379 HydrophobicContact CG2-CD2 4.36Å; I371-Y379 HydrophobicContact CG2-CG 4.46Å; I371-F381 HydrophobicContact CD1-CE2 3.72Å; I371-F381 HydrophobicContact CD1-CZ 3.66Å
372	D	97.9	Very high	90.6	Very high	48 Å²	48	71.5 Å²	71.5	26%	0.257	42%	0.417	S	S	.	.			trans	-76.8	102.5	171.7	175.8	16.2	0	0	0	109.9	F370 L374 T375 Q376	F370-D372 HydrophobicContact CE1-CB 3.86Å; F370-D372 HydrophobicContact CZ-CB 4.35Å; D372-L374 PolarHBondContact O-N 2.76Å; D372-L374 WeakPolarHBondContact OD1-CB 3.4Å; D372-L374 PolarHBondContact OD1-N 3.2Å; D372-L374 VanDerWaalsContact OD1-N 3.1Å; D372-T375 WeakPolarHBondContact CB-OG1 3.24Å; D372-T375 PolarHBondContact O-N 3.27Å; D372-T375 VanDerWaalsContact O-N 3.08Å; D372-T375 PolarHBondContact O-OG1 2.74Å; D372-T375 VanDerWaalsContact OD2-CG2 3.31Å; D372-T375 WeakPolarHBondContact OD2-CG2 3.39Å; D372-T375 PolarHBondContact OD2-OG1 3.31Å; D372-Q376 PolarHBondContact O-N 3Å
373	V	97.6	Very high	91.2	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-25.4	-178.8	66.3	0	0	0	0	113.4	K50 P52 Y228 L231 A299 I371 T375 P377	K50-V373 HydrophobicContact CB-CG2 3.76Å; P52-V373 HydrophobicContact CG-CB 3.81Å; P52-V373 HydrophobicContact CG-CG2 3.89Å; Y228-V373 HydrophobicContact CD1-CG1 4.32Å; Y228-V373 HydrophobicContact CE1-CG1 3.69Å; L231-V373 HydrophobicContact CD1-CG1 4.34Å; L231-V373 HydrophobicContact CD1-CG2 4.04Å; A299-V373 HydrophobicContact CB-CG1 4.47Å; I371-V373 PolarHBondContact O-N 3.44Å; I371-V373 VanDerWaalsContact O-N 3.17Å; V373-T375 VanDerWaalsContact C-N 3.31Å; V373-T375 PolarHBondContact O-N 3.33Å; V373-P377 WeakPolarHBondContact O-CA 3.38Å; V373-P377 WeakPolarHBondContact O-CB 3.4Å; V373-P377 WeakPolarHBondContact O-CD 3.45Å
374	L	97.6	Very high	91.7	Very high	57 Å²	57	66.3 Å²	66.3	30%	0.298	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-28.3	178	-65.8	172.8	0	0	0	112.3	E227 Y228 L231 D372	E227-L374 HydrophobicContact CB-CD1 4.43Å; E227-L374 HydrophobicContact CG-CD1 3.74Å; E227-L374 HydrophobicContact CG-CD2 4.46Å; Y228-L374 HydrophobicContact CD1-CD2 3.88Å; Y228-L374 HydrophobicContact CD1-CG 4.4Å; Y228-L374 HydrophobicContact CE1-CD1 4.46Å; Y228-L374 HydrophobicContact CE1-CD2 4.12Å; Y228-L374 HydrophobicContact CE1-CG 4.13Å; Y228-L374 HydrophobicContact CE2-CD1 4.47Å; Y228-L374 HydrophobicContact CG-CD2 4.2Å; L231-L374 HydrophobicContact CD1-CD2 4.07Å; L231-L374 HydrophobicContact CD2-CD2 4.4Å; L231-L374 HydrophobicContact CG-CD2 4.09Å; D372-L374 PolarHBondContact O-N 2.76Å; D372-L374 WeakPolarHBondContact OD1-CB 3.4Å; D372-L374 PolarHBondContact OD1-N 3.2Å; D372-L374 VanDerWaalsContact OD1-N 3.1Å
375	T	96.7	Very high	92.6	Very high	94 Å²	94	64.8 Å²	64.8	58%	0.577	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	-22.9	-179.9	55.9	0	0	0	0	113.1	D372 V373	D372-T375 WeakPolarHBondContact CB-OG1 3.24Å; D372-T375 PolarHBondContact O-N 3.27Å; D372-T375 VanDerWaalsContact O-N 3.08Å; D372-T375 PolarHBondContact O-OG1 2.74Å; D372-T375 VanDerWaalsContact OD2-CG2 3.31Å; D372-T375 WeakPolarHBondContact OD2-CG2 3.39Å; D372-T375 PolarHBondContact OD2-OG1 3.31Å; V373-T375 VanDerWaalsContact C-N 3.31Å; V373-T375 PolarHBondContact O-N 3.33Å
376	Q	93.9	Very high	93	Very high	86 Å²	86	61.6 Å²	61.6	40%	0.402	34%	0.341	S	S	.	.			trans	-128.8	54.4	-178.5	-63.1	174.4	65	0	0	112.5	I371 D372 E378 Y379	I371-Q376 HydrophobicContact CG2-CB 3.89Å; D372-Q376 PolarHBondContact O-N 3Å; Q376-E378 PolarHBondContact O-N 3.23Å; Q376-Y379 HydrophobicContact CB-CD2 4.47Å; Q376-Y379 PolarHBondContact O-N 2.92Å
377	P	86.3	Confident	93.1	Very high	35 Å²	35	58.7 Å²	58.7	23%	0.227	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-16.2	-176.1	29.1	-36	0	0	0	114.2	K50 L231 V373	K50-P377 HydrophobicContact CD-CB 4.34Å; K50-P377 WeakPolarHBondContact CD-O 3.48Å; K50-P377 HydrophobicContact CG-CB 4.42Å; K50-P377 PolarHBondContact NZ-O 2.79Å; L231-P377 HydrophobicContact CD2-CB 3.87Å; L231-P377 HydrophobicContact CD2-CG 4.34Å; V373-P377 WeakPolarHBondContact O-CA 3.38Å; V373-P377 WeakPolarHBondContact O-CB 3.4Å; V373-P377 WeakPolarHBondContact O-CD 3.45Å
378	E	85.7	Confident	92.9	Very high	140 Å²	140	61.5 Å²	61.5	65%	0.654	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	4.9	-179	-56.7	-51.2	140.9	0	0	113.6	K50 Q376 S380	K50-E378 IonicContact NZ-OE1 3.54Å; K50-E378 PolarHBondContact NZ-OE1 2.87Å; K50-E378 IonicContact NZ-OE2 3.53Å; K50-E378 PolarHBondContact NZ-OE2 2.83Å; Q376-E378 PolarHBondContact O-N 3.23Å; E378-S380 PolarHBondContact O-N 3Å
379	Y	86.3	Confident	92.6	Very high	113 Å²	113	62 Å²	62	44%	0.443	34%	0.335	S	S	.	.			trans	-63.2	128.7	176.4	-139.4	-72.8	0	0	0	109.6	I371 Q376 F381	I371-Y379 HydrophobicContact CD1-CD1 3.94Å; I371-Y379 HydrophobicContact CD1-CD2 4.33Å; I371-Y379 HydrophobicContact CD1-CE1 4.18Å; I371-Y379 HydrophobicContact CD1-CG 4.01Å; I371-Y379 HydrophobicContact CG2-CD2 4.36Å; I371-Y379 HydrophobicContact CG2-CG 4.46Å; Q376-Y379 HydrophobicContact CB-CD2 4.47Å; Q376-Y379 PolarHBondContact O-N 2.92Å; Y379-F381 HydrophobicContact CD1-CD2 4.14Å; Y379-F381 HydrophobicContact CD1-CE1 4.24Å; Y379-F381 AromaticContact CD1-CE2 3.31Å; Y379-F381 HydrophobicContact CD1-CE2 3.31Å; Y379-F381 AromaticContact CD1-CZ 3.37Å; Y379-F381 HydrophobicContact CD1-CZ 3.37Å; Y379-F381 AromaticContact CE1-CE1 3.81Å; Y379-F381 HydrophobicContact CE1-CE1 3.81Å; Y379-F381 AromaticContact CE1-CE2 3.73Å; Y379-F381 HydrophobicContact CE1-CE2 3.73Å; Y379-F381 AromaticContact CE1-CZ 3.22Å; Y379-F381 HydrophobicContact CE1-CZ 3.22Å; Y379-F381 HydrophobicContact CG-CE2 4.34Å
380	S	86.1	Confident	92.5	Very high	99 Å²	99	59.5 Å²	59.5	69%	0.692	32%	0.319	S	S	*	.			trans	-132.7	151.6	-178.2	58.2	0	0	0	0	111	E378	E378-S380 PolarHBondContact O-N 3Å
381	F	92.4	Very high	92.5	Very high	56 Å²	56	55.5 Å²	55.5	25%	0.246	30%	0.301	C	S	.	.			trans	-133.3	150.6	-179.6	-66.3	-89.1	0	0	0	110.2	P52 D55 Q56 I371 Y379	P52-F381 WeakPolarHBondContact O-CE2 3.46Å; D55-F381 HydrophobicContact CB-CB 4.4Å; D55-F381 HydrophobicContact CB-CD2 3.84Å; Q56-F381 HydrophobicContact CB-CD1 4.49Å; Q56-F381 HydrophobicContact CB-CD2 4.14Å; Q56-F381 HydrophobicContact CB-CE1 4Å; Q56-F381 HydrophobicContact CB-CE2 3.59Å; Q56-F381 HydrophobicContact CB-CZ 3.51Å; Q56-F381 HydrophobicContact CG-CE1 3.84Å; Q56-F381 HydrophobicContact CG-CE2 4.25Å; Q56-F381 HydrophobicContact CG-CZ 3.63Å; I371-F381 HydrophobicContact CD1-CE2 3.72Å; I371-F381 HydrophobicContact CD1-CZ 3.66Å; Y379-F381 HydrophobicContact CD1-CD2 4.14Å; Y379-F381 HydrophobicContact CD1-CE1 4.24Å; Y379-F381 AromaticContact CD1-CE2 3.31Å; Y379-F381 HydrophobicContact CD1-CE2 3.31Å; Y379-F381 AromaticContact CD1-CZ 3.37Å; Y379-F381 HydrophobicContact CD1-CZ 3.37Å; Y379-F381 AromaticContact CE1-CE1 3.81Å; Y379-F381 HydrophobicContact CE1-CE1 3.81Å; Y379-F381 AromaticContact CE1-CE2 3.73Å; Y379-F381 HydrophobicContact CE1-CE2 3.73Å; Y379-F381 AromaticContact CE1-CZ 3.22Å; Y379-F381 HydrophobicContact CE1-CZ 3.22Å; Y379-F381 HydrophobicContact CG-CE2 4.34Å
382	T	90.9	Very high	92.5	Very high	129 Å²	129	55.5 Å²	55.5	79%	0.791	30%	0.301	S	S	*	.			trans	-93.4	131.1	165.9	-54.3	0	0	0	0	108.5	A384	T382-A384 PolarHBondContact O-N 2.84Å
383	N	92.6	Very high	92.5	Very high	35 Å²	35	53.2 Å²	53.2	19%	0.187	29%	0.289	C	S	.	.			trans	-57.3	130.7	173.6	-68	-16.3	0	0	0	110.3	C43 V63 V386	C43-N383 VanDerWaalsContact CB-OD1 3.26Å; C43-N383 WeakPolarHBondContact CB-OD1 3.37Å; C43-N383 PolarHBondContact O-ND2 2.93Å; V63-N383 HydrophobicContact CG2-CB 4.32Å; N383-V386 HydrophobicContact CB-CG2 3.54Å
384	A	86.7	Confident	92.6	Very high	60 Å²	60	53.2 Å²	53.2	50%	0.496	29%	0.289	S	S	.	.	S	Bend	trans	-67.7	-47.8	177.7	0	0	0	0	0	111.6	S59 T382	S59-A384 WeakPolarHBondContact O-CB 3.28Å; T382-A384 PolarHBondContact O-N 2.84Å
385	R	93	Very high	92.6	Very high	57 Å²	57	50.6 Å²	50.6	22%	0.215	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	127.9	-179.2	-173.4	-179.7	-169.9	152.9	4.4	110.3	S61 Q62 V63 T431 F432 Q434	S61-R385 PolarHBondContact O-N 3.45Å; Q62-R385 HydrophobicContact CG-CG 4.17Å; Q62-R385 VanDerWaalsContact OE1-CD 3.3Å; V63-R385 PolarHBondContact N-O 2.71Å; R385-T431 PolarHBondContact NE-O 3.35Å; R385-T431 PolarHBondContact NH2-O 2.68Å; R385-F432 VanDerWaalsContact NH1-C 3.25Å; R385-F432 PolarHBondContact NH1-O 2.73Å; R385-F432 PolarHBondContact NH2-O 2.98Å; R385-Q434 PolarHBondContact NH2-O 2.92Å
386	V	93.5	Very high	92.7	Very high	59 Å²	59	46.1 Å²	46.1	36%	0.358	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	130.8	-179.3	178.3	0	0	0	0	108.7	V63 L65 N383	V63-V386 WeakPolarHBondContact O-CA 3.31Å; L65-V386 HydrophobicContact CD1-CG1 3.39Å; L65-V386 HydrophobicContact CD2-CG1 4.19Å; L65-V386 HydrophobicContact CG-CG1 3.56Å; N383-V386 HydrophobicContact CB-CG2 3.54Å
387	I	93.6	Very high	93	Very high	4 Å²	4	42 Å²	42	2%	0.021	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	124	171.9	-58.7	-57.7	0	0	0	109	Q62 V63 F64 L65 E436	Q62-I387 HydrophobicContact CG-CD1 4.4Å; Q62-I387 HydrophobicContact CG-CG1 3.57Å; Q62-I387 VanDerWaalsContact NE2-CG1 3.27Å; V63-I387 PolarHBondContact O-N 2.87Å; F64-I387 HydrophobicContact CD1-CB 3.77Å; F64-I387 HydrophobicContact CD1-CG1 4.31Å; F64-I387 HydrophobicContact CD1-CG2 3.72Å; F64-I387 HydrophobicContact CE1-CB 4.13Å; F64-I387 HydrophobicContact CE1-CG1 4.21Å; F64-I387 HydrophobicContact CE1-CG2 3.98Å; F64-I387 HydrophobicContact CG-CB 4.38Å; L65-I387 PolarHBondContact N-O 2.73Å; I387-E436 WeakPolarHBondContact CA-OE2 3.28Å; I387-E436 HydrophobicContact CD1-CB 4.49Å
388	Q	91.2	Very high	93.6	Very high	74 Å²	74	40.6 Å²	40.6	35%	0.346	22%	0.219	S	C	.	.			trans	-93	-20.5	179.1	-77.2	-173.3	-25	0	0	112.5	L65 N66 T390 E436 W478	L65-Q388 HydrophobicContact CD1-CG 4.24Å; N66-Q388 PolarHBondContact ND2-O 2.73Å; Q388-T390 PolarHBondContact O-N 2.79Å; Q388-E436 PolarHBondContact N-OE2 3.46Å; Q388-W478 HydrophobicContact CB-CE3 4.26Å; Q388-W478 HydrophobicContact CB-CH2 4.11Å; Q388-W478 HydrophobicContact CB-CZ3 3.5Å; Q388-W478 HydrophobicContact CG-CH2 3.91Å; Q388-W478 HydrophobicContact CG-CZ3 3.77Å
389	T	90.1	Very high	94.2	Very high	10 Å²	10	33.9 Å²	33.9	6%	0.061	19%	0.188	C	C	.	.	S	Bend	trans	-51.2	131.5	176.1	-75.8	0	0	0	0	110.8	V391 E436 R443	T389-V391 HydrophobicContact CG2-CG1 4.18Å; T389-V391 PolarHBondContact O-N 2.92Å; T389-E436 WeakPolarHBondContact CA-OE1 3.36Å; T389-E436 VanDerWaalsContact CB-OE1 3.29Å; T389-E436 WeakPolarHBondContact CB-OE1 3.37Å; T389-E436 PolarHBondContact N-OE1 3.1Å; T389-E436 PolarHBondContact OG1-OE1 2.86Å; T389-R443 HydrophobicContact CG2-CB 4.16Å; T389-R443 HydrophobicContact CG2-CG 3.74Å
390	T	94.7	Very high	94.7	Very high	5 Å²	5	28.5 Å²	28.5	3%	0.031	17%	0.167	C	C	.	.			trans	-67.6	125	174.1	-56	0	0	0	0	110.7	N66 F68 Q388 A445	N66-T390 WeakPolarHBondContact O-CA 3.41Å; F68-T390 HydrophobicContact CD2-CG2 3.96Å; F68-T390 HydrophobicContact CE2-CG2 3.96Å; Q388-T390 PolarHBondContact O-N 2.79Å; T390-A445 HydrophobicContact CG2-CB 3.44Å; T390-A445 VanDerWaalsContact CG2-CB 3.44Å
391	V	97.1	Very high	95.2	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.006	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	166.6	-178.5	-59	0	0	0	0	111.1	F64 N66 A67 F68 L349 T389 L428	F64-V391 HydrophobicContact CB-CG2 4.02Å; F64-V391 HydrophobicContact CD1-CG1 3.94Å; F64-V391 HydrophobicContact CD1-CG2 3.9Å; F64-V391 HydrophobicContact CE1-CG1 4.21Å; F64-V391 HydrophobicContact CG-CG2 4.16Å; N66-V391 PolarHBondContact O-N 2.93Å; A67-V391 WeakPolarHBondContact CA-O 3.34Å; A67-V391 HydrophobicContact CB-CG2 3.64Å; F68-V391 PolarHBondContact N-O 3.03Å; L349-V391 HydrophobicContact CD2-CG2 4.05Å; T389-V391 HydrophobicContact CG2-CG1 4.18Å; T389-V391 PolarHBondContact O-N 2.92Å; V391-L428 HydrophobicContact CB-CD1 4.03Å; V391-L428 HydrophobicContact CB-CD2 4.43Å; V391-L428 HydrophobicContact CG1-CD1 3.84Å; V391-L428 HydrophobicContact CG1-CD2 3.73Å; V391-L428 HydrophobicContact CG1-CG 4.45Å; V391-L428 HydrophobicContact CG2-CD1 4.49Å
392	E	98.6	Very high	95.4	Very high	4 Å²	4	23 Å²	23	2%	0.019	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	150.5	-173.8	-67.3	-174.1	96.7	0	0	111.5	F68 R86 V394 D395 A445 F446	F68-E392 WeakPolarHBondContact O-CA 3.29Å; R86-E392 IonicContact CZ-OE1 2.95Å; R86-E392 IonicContact CZ-OE2 2.66Å; R86-E392 IonicContact NH1-OE1 3.95Å; R86-E392 PolarHBondContact NH1-OE1 3.09Å; R86-E392 IonicContact NH1-OE2 3.5Å; R86-E392 IonicContact NH2-OE1 2.85Å; R86-E392 PolarHBondContact NH2-OE1 2.87Å; R86-E392 IonicContact NH2-OE2 3Å; R86-E392 PolarHBondContact NH2-OE2 3.12Å; E392-V394 HydrophobicContact CB-CG2 3.67Å; E392-V394 PolarHBondContact O-N 2.59Å; E392-D395 PolarHBondContact N-OD2 2.78Å; E392-D395 WeakPolarHBondContact O-CB 3.39Å; E392-D395 PolarHBondContact O-N 2.91Å; E392-A445 HydrophobicContact CG-CB 3.68Å; E392-F446 PolarHBondContact OE1-N 3.01Å
393	L	98.9	Very high	95.6	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-60.1	-29.9	174.5	-71.9	-175.4	0	0	0	113.1	F68 A69 M81 T322 S323 V347 D395 I396	F68-L393 PolarHBondContact O-N 2.88Å; A69-L393 HydrophobicContact CB-CD1 3.66Å; A69-L393 HydrophobicContact CB-CG 4.39Å; M81-L393 HydrophobicContact CB-CB 4.09Å; M81-L393 HydrophobicContact CG-CB 3.99Å; M81-L393 WeakPolarHBondContact CG-O 3.42Å; M81-L393 HydrophobicContact SD-CD2 4.42Å; T322-L393 WeakPolarHBondContact OG1-CD2 3.09Å; S323-L393 WeakPolarHBondContact O-CD1 3.14Å; V347-L393 HydrophobicContact CG2-CD1 4.27Å; V347-L393 HydrophobicContact CG2-CD2 3.77Å; V347-L393 HydrophobicContact CG2-CG 4.02Å; L393-D395 PolarHBondContact O-N 3.13Å; L393-D395 VanDerWaalsContact O-N 3.17Å; L393-I396 HydrophobicContact CD2-CD1 3.51Å; L393-I396 WeakPolarHBondContact O-CB 3.3Å; L393-I396 WeakPolarHBondContact O-CG1 3.49Å; L393-I396 PolarHBondContact O-N 3.42Å; L393-I396 VanDerWaalsContact O-N 3.11Å
394	V	98.6	Very high	95.7	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-60.7	-20.8	171.9	-73.1	0	0	0	0	113.5	Q70 S80 S84 E392 I396 P398	Q70-V394 HydrophobicContact CG-CG1 4.03Å; Q70-V394 HydrophobicContact CG-CG2 4.46Å; S80-V394 VanDerWaalsContact OG-CG1 3.28Å; S80-V394 WeakPolarHBondContact OG-CG1 3.3Å; S84-V394 PolarHBondContact OG-O 2.75Å; E392-V394 HydrophobicContact CB-CG2 3.67Å; E392-V394 PolarHBondContact O-N 2.59Å; V394-I396 VanDerWaalsContact C-N 3.25Å; V394-I396 PolarHBondContact O-N 2.8Å; V394-P398 WeakPolarHBondContact O-CD 3.41Å
395	D	98.7	Very high	96	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.011	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-73.7	-16.3	177.7	-58	-23	0	0	0	112.4	E392 L393 P398 T399 G425 R426 L428	E392-D395 PolarHBondContact N-OD2 2.78Å; E392-D395 WeakPolarHBondContact O-CB 3.39Å; E392-D395 PolarHBondContact O-N 2.91Å; L393-D395 PolarHBondContact O-N 3.13Å; L393-D395 VanDerWaalsContact O-N 3.17Å; D395-P398 WeakPolarHBondContact O-CD 3.45Å; D395-P398 VanDerWaalsContact O-CG 3.31Å; D395-P398 WeakPolarHBondContact O-CG 3.48Å; D395-T399 VanDerWaalsContact O-CB 3.25Å; D395-T399 WeakPolarHBondContact O-CB 3.3Å; D395-T399 PolarHBondContact O-N 3.2Å; D395-T399 PolarHBondContact O-OG1 2.93Å; D395-G425 WeakPolarHBondContact OD1-CA 3.45Å; D395-R426 WeakPolarHBondContact CA-O 3.38Å; D395-R426 VanDerWaalsContact CB-O 3.3Å; D395-R426 WeakPolarHBondContact CB-O 3.35Å; D395-R426 PolarHBondContact OD1-N 2.71Å; D395-L428 HydrophobicContact CB-CD1 3.81Å; D395-L428 HydrophobicContact CB-CD2 4.27Å; D395-L428 HydrophobicContact CB-CG 3.94Å
396	I	98.8	Very high	96.1	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-63.3	-50.5	-176	-70.1	178.5	0	0	0	111.3	F31 M81 T322 L349 M351 L393 V394 T399 V400	F31-I396 HydrophobicContact CE2-CG2 3.77Å; M81-I396 HydrophobicContact CG-CB 4.37Å; M81-I396 HydrophobicContact CG-CD1 4.03Å; M81-I396 HydrophobicContact SD-CD1 3.79Å; T322-I396 HydrophobicContact CG2-CD1 4.03Å; L349-I396 HydrophobicContact CD1-CD1 3.78Å; L349-I396 HydrophobicContact CD1-CG1 4.06Å; L349-I396 HydrophobicContact CD2-CG1 4.46Å; M351-I396 HydrophobicContact CE-CG1 4.28Å; L393-I396 HydrophobicContact CD2-CD1 3.51Å; L393-I396 WeakPolarHBondContact O-CB 3.3Å; L393-I396 WeakPolarHBondContact O-CG1 3.49Å; L393-I396 PolarHBondContact O-N 3.42Å; L393-I396 VanDerWaalsContact O-N 3.11Å; V394-I396 VanDerWaalsContact C-N 3.25Å; V394-I396 PolarHBondContact O-N 2.8Å; I396-T399 PolarHBondContact O-N 2.93Å; I396-V400 HydrophobicContact CG2-CG2 3.87Å; I396-V400 WeakPolarHBondContact O-CB 3.44Å; I396-V400 VanDerWaalsContact O-CG2 3.25Å; I396-V400 WeakPolarHBondContact O-CG2 3.39Å; I396-V400 PolarHBondContact O-N 3.29Å
397	F	98.6	Very high	96.1	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-58.3	-54.5	-175.8	-174.7	179.9	0	0	0	112.9	T107 L109 H112 T399 S401 L409 L421	T107-F397 WeakPolarHBondContact O-CE1 3.42Å; L109-F397 HydrophobicContact CB-CB 4.42Å; L109-F397 HydrophobicContact CB-CD1 4.21Å; L109-F397 HydrophobicContact CB-CD2 3.84Å; L109-F397 HydrophobicContact CB-CE2 4.19Å; L109-F397 HydrophobicContact CB-CG 3.9Å; L109-F397 HydrophobicContact CD1-CD2 3.43Å; L109-F397 VanDerWaalsContact CD1-CD2 3.43Å; L109-F397 HydrophobicContact CD1-CE2 3.97Å; L109-F397 HydrophobicContact CD1-CG 4.15Å; L109-F397 HydrophobicContact CG-CD2 4.22Å; H112-F397 HydrophobicContact CB-CE2 3.63Å; H112-F397 HydrophobicContact CB-CZ 3.65Å; H112-F397 AromaticContact CG-CE2 3.89Å; F397-T399 VanDerWaalsContact C-N 3.28Å; F397-T399 PolarHBondContact O-N 3.13Å; F397-S401 VanDerWaalsContact CD2-OG 3.31Å; F397-S401 WeakPolarHBondContact CD2-OG 3.39Å; F397-S401 WeakPolarHBondContact CE2-OG 3.09Å; F397-S401 WeakPolarHBondContact O-CB 3.46Å; F397-S401 PolarHBondContact O-N 3.12Å; F397-S401 PolarHBondContact O-OG 2.83Å; F397-L409 HydrophobicContact CD1-CD1 4.47Å; F397-L409 HydrophobicContact CD2-CD1 3.79Å; F397-L409 HydrophobicContact CE1-CD1 4.43Å; F397-L409 HydrophobicContact CE2-CD1 3.71Å; F397-L409 HydrophobicContact CG-CD1 4.15Å; F397-L409 HydrophobicContact CZ-CD1 4.05Å; F397-L421 HydrophobicContact CZ-CD1 4.05Å
398	P	98.6	Very high	96	Very high	4 Å²	4	19 Å²	19	3%	0.026	13%	0.134	C	C	.	.	H	α-helix	trans	-62.4	-36.5	178.5	27.6	-37.7	0	0	0	112.3	V394 D395 C402 L409 T423 N427	V394-P398 WeakPolarHBondContact O-CD 3.41Å; D395-P398 WeakPolarHBondContact O-CD 3.45Å; D395-P398 VanDerWaalsContact O-CG 3.31Å; D395-P398 WeakPolarHBondContact O-CG 3.48Å; P398-C402 VanDerWaalsContact O-CB 3.29Å; P398-C402 WeakPolarHBondContact O-CB 3.32Å; P398-C402 PolarHBondContact O-N 2.73Å; P398-L409 HydrophobicContact CB-CD1 4.27Å; P398-T423 HydrophobicContact CB-CG2 4.06Å; P398-T423 HydrophobicContact CG-CG2 4.45Å; P398-T423 VanDerWaalsContact CG-OG1 3.3Å; P398-T423 WeakPolarHBondContact CG-OG1 3.44Å; P398-N427 HydrophobicContact CB-CB 4.36Å
399	T	98.3	Very high	96.2	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-66.3	-52.8	-179.8	-56.7	0	0	0	0	111.7	M351 D395 I396 F397 S401 C402 M403 L428 F432	M351-T399 HydrophobicContact CE-CG2 4.32Å; M351-T399 HydrophobicContact SD-CG2 4.01Å; D395-T399 VanDerWaalsContact O-CB 3.25Å; D395-T399 WeakPolarHBondContact O-CB 3.3Å; D395-T399 PolarHBondContact O-N 3.2Å; D395-T399 PolarHBondContact O-OG1 2.93Å; I396-T399 PolarHBondContact O-N 2.93Å; F397-T399 VanDerWaalsContact C-N 3.28Å; F397-T399 PolarHBondContact O-N 3.13Å; T399-S401 VanDerWaalsContact C-N 3.33Å; T399-S401 PolarHBondContact O-N 2.66Å; T399-C402 PolarHBondContact O-N 2.79Å; T399-M403 HydrophobicContact CG2-CG 4.25Å; T399-M403 WeakPolarHBondContact O-CB 3.4Å; T399-M403 VanDerWaalsContact O-CG 3.29Å; T399-M403 WeakPolarHBondContact O-CG 3.33Å; T399-M403 PolarHBondContact O-N 3.27Å; T399-L428 HydrophobicContact CG2-CB 3.86Å; T399-L428 WeakPolarHBondContact OG1-CB 3.4Å; T399-L428 WeakPolarHBondContact OG1-CG 3.49Å; T399-L428 PolarHBondContact OG1-N 3.04Å; T399-F432 HydrophobicContact CG2-CE2 4.11Å
400	V	98.1	Very high	96.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.4	-40.9	-178.6	173.6	0	0	0	0	110.9	V29 L109 F113 M318 V320 I396 A404	V29-V400 HydrophobicContact CG1-CG1 4.12Å; V29-V400 HydrophobicContact CG2-CG1 4.46Å; L109-V400 HydrophobicContact CD1-CB 4.48Å; L109-V400 HydrophobicContact CD1-CG1 4.33Å; F113-V400 HydrophobicContact CE2-CG1 4.15Å; F113-V400 HydrophobicContact CZ-CG1 3.87Å; M318-V400 HydrophobicContact SD-CG1 4.12Å; V320-V400 HydrophobicContact CG2-CG2 3.7Å; I396-V400 HydrophobicContact CG2-CG2 3.87Å; I396-V400 WeakPolarHBondContact O-CB 3.44Å; I396-V400 VanDerWaalsContact O-CG2 3.25Å; I396-V400 WeakPolarHBondContact O-CG2 3.39Å; I396-V400 PolarHBondContact O-N 3.29Å; V400-A404 VanDerWaalsContact O-CB 3.29Å; V400-A404 WeakPolarHBondContact O-CB 3.39Å; V400-A404 PolarHBondContact O-N 2.85Å
401	S	97.3	Very high	96.7	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.007	19%	0.192	C	C	.	.	H	α-helix	trans	-60.8	-47.7	176.3	-54.9	0	0	0	0	111.3	F397 T399 A404 L406	F397-S401 VanDerWaalsContact CD2-OG 3.31Å; F397-S401 WeakPolarHBondContact CD2-OG 3.39Å; F397-S401 WeakPolarHBondContact CE2-OG 3.09Å; F397-S401 WeakPolarHBondContact O-CB 3.46Å; F397-S401 PolarHBondContact O-N 3.12Å; F397-S401 PolarHBondContact O-OG 2.83Å; T399-S401 VanDerWaalsContact C-N 3.33Å; T399-S401 PolarHBondContact O-N 2.66Å; S401-A404 PolarHBondContact O-N 3.34Å; S401-L406 WeakPolarHBondContact O-CA 3.37Å; S401-L406 WeakPolarHBondContact O-CB 3.42Å; S401-L406 PolarHBondContact O-N 3.06Å
402	C	95.9	Very high	96.7	Very high	37 Å²	37	32.4 Å²	32.4	25%	0.25	20%	0.197	C	C	.	.	H	α-helix	trans	-68.7	-42.9	-178.7	-171.7	0	0	0	0	112.3	P398 T399 A404 G405 N427 V429	P398-C402 VanDerWaalsContact O-CB 3.29Å; P398-C402 WeakPolarHBondContact O-CB 3.32Å; P398-C402 PolarHBondContact O-N 2.73Å; T399-C402 PolarHBondContact O-N 2.79Å; C402-A404 PolarHBondContact O-N 3.36Å; C402-G405 WeakPolarHBondContact O-CA 3.25Å; C402-G405 PolarHBondContact O-N 2.85Å; C402-N427 VanDerWaalsContact CB-ND2 3.29Å; C402-N427 WeakPolarHBondContact CB-ND2 3.44Å; C402-N427 PolarHBondContact SG-ND2 2.74Å; C402-V429 HydrophobicContact CB-CG2 3.71Å
403	M	94.7	Very high	96.4	Very high	24 Å²	24	35.5 Å²	35.5	12%	0.118	22%	0.218	C	C	.	.	H	α-helix	trans	-65.6	-25.7	177.1	-69.7	-59.9	-70.6	0	0	112.6	M318 V353 V356 T399 G405 V429 F432	M318-M403 VanDerWaalsContact CE-C 3.48Å; M318-M403 HydrophobicContact CE-CB 3.32Å; M318-M403 HydrophobicContact SD-CB 4.3Å; V353-M403 HydrophobicContact CB-CE 4.11Å; V353-M403 HydrophobicContact CG1-CE 3.74Å; V353-M403 HydrophobicContact CG2-CE 3.72Å; V356-M403 HydrophobicContact CG1-CE 4.16Å; T399-M403 HydrophobicContact CG2-CG 4.25Å; T399-M403 WeakPolarHBondContact O-CB 3.4Å; T399-M403 VanDerWaalsContact O-CG 3.29Å; T399-M403 WeakPolarHBondContact O-CG 3.33Å; T399-M403 PolarHBondContact O-N 3.27Å; M403-G405 PolarHBondContact O-N 2.9Å; M403-V429 HydrophobicContact CG-CG2 3.7Å; M403-V429 HydrophobicContact SD-CB 4.05Å; M403-V429 HydrophobicContact SD-CG1 3.87Å; M403-V429 HydrophobicContact SD-CG2 3.51Å; M403-V429 VanDerWaalsContact SD-CG2 3.51Å; M403-F432 HydrophobicContact CE-CB 4.16Å; M403-F432 HydrophobicContact CE-CD1 3.97Å; M403-F432 HydrophobicContact CE-CD2 4.28Å; M403-F432 HydrophobicContact CE-CE1 4.44Å; M403-F432 HydrophobicContact CE-CG 3.87Å; M403-F432 HydrophobicContact SD-CD2 4.24Å; M403-F432 HydrophobicContact SD-CG 4.35Å
404	A	95	Very high	95.7	Very high	5 Å²	5	43.3 Å²	43.3	4%	0.041	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	4.1	171.2	0	0	0	0	0	113.5	V29 F113 M318 V400 S401 C402 L406	V29-A404 HydrophobicContact CG2-CB 4.44Å; F113-A404 HydrophobicContact CE1-CB 3.62Å; F113-A404 HydrophobicContact CZ-CB 3.64Å; M318-A404 HydrophobicContact CE-CB 4.41Å; V400-A404 VanDerWaalsContact O-CB 3.29Å; V400-A404 WeakPolarHBondContact O-CB 3.39Å; V400-A404 PolarHBondContact O-N 2.85Å; S401-A404 PolarHBondContact O-N 3.34Å; C402-A404 PolarHBondContact O-N 3.36Å; A404-L406 VanDerWaalsContact C-N 3.34Å; A404-L406 HydrophobicContact CB-CG 4.41Å
405	G	93.6	Very high	95.2	Very high	68 Å²	68	48.2 Å²	48.2	70%	0.701	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	16.9	-179.4	0	0	0	0	0	114.4	C402 M403	C402-G405 WeakPolarHBondContact O-CA 3.25Å; C402-G405 PolarHBondContact O-N 2.85Å; M403-G405 PolarHBondContact O-N 2.9Å
406	L	94.8	Very high	95	Very high	11 Å²	11	48.3 Å²	48.3	6%	0.058	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-81.3	156.5	173.3	-52.3	-175.9	0	0	0	110.8	F113 K116 Y118 S401 A404 A408	F113-L406 HydrophobicContact CD1-CD1 4.02Å; F113-L406 HydrophobicContact CD2-CD1 3.94Å; F113-L406 HydrophobicContact CE1-CD1 3.89Å; F113-L406 HydrophobicContact CE2-CD1 3.81Å; F113-L406 HydrophobicContact CG-CD1 4.05Å; F113-L406 HydrophobicContact CZ-CD1 3.79Å; K116-L406 HydrophobicContact CB-CD1 4.43Å; K116-L406 HydrophobicContact CB-CD2 3.84Å; K116-L406 HydrophobicContact CG-CD1 4.16Å; K116-L406 HydrophobicContact CG-CD2 3.96Å; Y118-L406 HydrophobicContact CE2-CD2 4.16Å; S401-L406 WeakPolarHBondContact O-CA 3.37Å; S401-L406 WeakPolarHBondContact O-CB 3.42Å; S401-L406 PolarHBondContact O-N 3.06Å; A404-L406 VanDerWaalsContact C-N 3.34Å; A404-L406 HydrophobicContact CB-CG 4.41Å; L406-A408 PolarHBondContact O-N 3.37Å
407	P	92.4	Very high	94.9	Very high	80 Å²	80	50.7 Å²	50.7	52%	0.519	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-54.6	138.2	176.5	-25.6	35.1	0	0	0	112	L409	P407-L409 PolarHBondContact O-N 2.9Å
408	A	91.9	Very high	94.8	Very high	74 Å²	74	59.3 Å²	59.3	61%	0.612	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-58	138	176.2	0	0	0	0	0	110.7	L406	L406-A408 PolarHBondContact O-N 3.37Å
409	L	96.1	Very high	94.7	Very high	25 Å²	25	61.4 Å²	61.4	13%	0.131	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-77.2	139.2	175.7	-58.4	-178.3	0	0	0	109.8	F397 P398 P407 L421 T423	F397-L409 HydrophobicContact CD1-CD1 4.47Å; F397-L409 HydrophobicContact CD2-CD1 3.79Å; F397-L409 HydrophobicContact CE1-CD1 4.43Å; F397-L409 HydrophobicContact CE2-CD1 3.71Å; F397-L409 HydrophobicContact CG-CD1 4.15Å; F397-L409 HydrophobicContact CZ-CD1 4.05Å; P398-L409 HydrophobicContact CB-CD1 4.27Å; P407-L409 PolarHBondContact O-N 2.9Å; L409-L421 HydrophobicContact CD2-CD1 3.76Å; L409-L421 HydrophobicContact CD2-CD2 4.04Å; L409-L421 HydrophobicContact CD2-CG 4Å; L409-T423 HydrophobicContact CB-CG2 3.8Å
410	E	97.1	Very high	94.7	Very high	159 Å²	159	66.4 Å²	66.4	74%	0.743	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-71.9	145.5	172.3	-64.7	-173.9	172.2	0	0	110.9	C422 T423	E410-C422 CarbonylContact O-C 3.59Å; E410-C422 VanDerWaalsContact O-CA 3.23Å; E410-C422 WeakPolarHBondContact O-CA 3.46Å; E410-C422 WeakPolarHBondContact O-CB 3.49Å; E410-T423 WeakPolarHBondContact O-CG2 3.36Å; E410-T423 PolarHBondContact O-N 3.06Å
411	E	97.3	Very high	94.7	Very high	169 Å²	169	69.7 Å²	69.7	79%	0.79	39%	0.394	S	S	*	.	B	Isolated β-bridge	trans	-64.8	137.1	173.8	-172.2	170.6	-171.1	0	0	110	T423	E411-T423 WeakPolarHBondContact CA-O 3.3Å
412	C	96.7	Very high	94.8	Very high	18 Å²	18	69.8 Å²	69.8	12%	0.122	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-65.5	138.7	175.8	-70.1	0	0	0	0	110.8	R85 C422 T423	R85-C412 PolarHBondContact NE-SG 3.25Å; R85-C412 VanDerWaalsContact NE-SG 3.42Å; C412-C422 WeakPolarHBondContact CA-SG 3.41Å; C412-C422 HydrophobicContact CB-CB 3.92Å; C412-C422 WeakPolarHBondContact CB-SG 3.25Å; C412-C422 WeakPolarHBondContact SG-CB 3.1Å; C412-C422 CovalentContact SG-SG 2.04Å; C412-C422 PolarHBondContact SG-SG 3.18Å; C412-T423 PolarHBondContact N-O 3.2Å; C412-T423 PolarHBondContact SG-N 3.06Å; C412-T423 VanDerWaalsContact SG-N 3.44Å
413	P	93.5	Very high	94.9	Very high	68 Å²	68	68.4 Å²	68.4	44%	0.442	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-61.7	159.3	162.8	29.1	-34.6	0	0	0	110	V415 V419	P413-V415 WeakPolarHBondContact CG-O 3.12Å; P413-V415 PolarHBondContact O-N 3.14Å; P413-V419 HydrophobicContact CG-CG2 3.99Å
414	D	83.8	Confident	95	Very high	164 Å²	164	68.6 Å²	68.6	88%	0.877	39%	0.39	S	S	*	.	S	Bend	trans	-49.7	-34.8	179.5	-72.2	-30.1	0	0	0	112.8
415	V	89.2	Confident	95.1	Very high	104 Å²	104	68.7 Å²	68.7	63%	0.63	39%	0.392	S	S	*	.			trans	-118.2	106.4	173.1	-177.3	0	0	0	0	109.3	P413 F417	P413-V415 WeakPolarHBondContact CG-O 3.12Å; P413-V415 PolarHBondContact O-N 3.14Å; V415-F417 HydrophobicContact CG1-CD2 3.5Å; V415-F417 VanDerWaalsContact CG1-CD2 3.5Å; V415-F417 HydrophobicContact CG1-CE2 3.8Å
416	S	94.4	Very high	95.2	Very high	3 Å²	3	69.7 Å²	69.7	2%	0.021	38%	0.375	C	S	.	.			trans	-118.9	20.7	-171.4	57	0	0	0	0	114.9	R85 T89 Q418 V419	R85-S416 PolarHBondContact NH1-O 3.32Å; T89-S416 WeakPolarHBondContact CG2-OG 3.31Å; S416-Q418 PolarHBondContact O-N 2.79Å; S416-V419 PolarHBondContact O-N 3.15Å
417	F	95.5	Very high	95.2	Very high	51 Å²	51	72.2 Å²	72.2	22%	0.224	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-30.6	-179.5	-61.6	-68.6	0	0	0	113.8	R91 A103 G104 Y106 V415	R91-F417 HydrophobicContact CG-CE1 4.42Å; A103-F417 HydrophobicContact CB-CD1 4.44Å; G104-F417 WeakPolarHBondContact CA-O 3.49Å; Y106-F417 VanDerWaalsContact OH-CD1 3.23Å; Y106-F417 WeakPolarHBondContact OH-CD1 3.09Å; V415-F417 HydrophobicContact CG1-CD2 3.5Å; V415-F417 VanDerWaalsContact CG1-CD2 3.5Å; V415-F417 HydrophobicContact CG1-CE2 3.8Å
418	Q	96.3	Very high	95.3	Very high	181 Å²	181	68.6 Å²	68.6	85%	0.846	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	3	179.7	-57.5	-59.3	-32.9	0	0	113.3	S416	S416-Q418 PolarHBondContact O-N 2.79Å
419	V	97.8	Very high	95.4	Very high	48 Å²	48	66.1 Å²	66.1	29%	0.291	34%	0.342	S	S	.	.			trans	-100.9	114.6	-179.4	-175.1	0	0	0	0	108.9	R85 P413 S416 C422	R85-V419 PolarHBondContact NH1-O 2.84Å; R85-V419 VanDerWaalsContact NH1-O 3.14Å; R85-V419 PolarHBondContact NH2-O 3.4Å; P413-V419 HydrophobicContact CG-CG2 3.99Å; S416-V419 PolarHBondContact O-N 3.15Å; V419-C422 HydrophobicContact CG1-CB 3.81Å
420	E	98	Very high	95.2	Very high	104 Å²	104	69.9 Å²	69.9	49%	0.486	36%	0.362	S	S	.	.	S	Bend	trans	-71	-45.5	-178.2	-61.3	-166.2	152.1	0	0	112.3	R85 N105 Y106 T107	R85-E420 PolarHBondContact NH2-O 3.24Å; N105-E420 HydrophobicContact CB-CG 4.35Å; N105-E420 PolarHBondContact ND2-OE1 2.97Å; N105-E420 WeakPolarHBondContact O-CA 3.24Å; Y106-E420 CarbonylContact C-O 3.6Å; Y106-E420 WeakPolarHBondContact CA-O 3.49Å; T107-E420 PolarHBondContact N-O 2.88Å; T107-E420 PolarHBondContact OG1-O 2.78Å
421	L	98.5	Very high	95	Very high	69 Å²	69	63.4 Å²	63.4	36%	0.361	33%	0.333	S	S	.	.	S	Bend	trans	-125.2	111.2	-178.1	-177.8	65.6	0	0	0	110.5	T107 F397 L409	T107-L421 HydrophobicContact CG2-CD1 3.88Å; F397-L421 HydrophobicContact CZ-CD1 4.05Å; L409-L421 HydrophobicContact CD2-CD1 3.76Å; L409-L421 HydrophobicContact CD2-CD2 4.04Å; L409-L421 HydrophobicContact CD2-CG 4Å
422	C	98.4	Very high	94.8	Very high	4 Å²	4	55.5 Å²	55.5	3%	0.027	30%	0.297	C	S	.	.			trans	-163.9	164.4	169.3	64.2	0	0	0	0	107.5	R85 E410 C412 V419	R85-C422 PolarHBondContact NE-O 3.16Å; R85-C422 PolarHBondContact NH2-SG 3.02Å; R85-C422 VanDerWaalsContact NH2-SG 3.43Å; E410-C422 CarbonylContact O-C 3.59Å; E410-C422 VanDerWaalsContact O-CA 3.23Å; E410-C422 WeakPolarHBondContact O-CA 3.46Å; E410-C422 WeakPolarHBondContact O-CB 3.49Å; C412-C422 WeakPolarHBondContact CA-SG 3.41Å; C412-C422 HydrophobicContact CB-CB 3.92Å; C412-C422 WeakPolarHBondContact CB-SG 3.25Å; C412-C422 WeakPolarHBondContact SG-CB 3.1Å; C412-C422 CovalentContact SG-SG 2.04Å; C412-C422 PolarHBondContact SG-SG 3.18Å; V419-C422 HydrophobicContact CG1-CB 3.81Å
423	T	98.4	Very high	94.4	Very high	7 Å²	7	61.8 Å²	61.8	4%	0.043	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-113.4	133.6	178.6	176.4	0	0	0	0	111.6	S84 P398 L409 E410 E411 C412 G425	S84-T423 PolarHBondContact OG-OG1 3.24Å; P398-T423 HydrophobicContact CB-CG2 4.06Å; P398-T423 HydrophobicContact CG-CG2 4.45Å; P398-T423 VanDerWaalsContact CG-OG1 3.3Å; P398-T423 WeakPolarHBondContact CG-OG1 3.44Å; L409-T423 HydrophobicContact CB-CG2 3.8Å; E410-T423 WeakPolarHBondContact O-CG2 3.36Å; E410-T423 PolarHBondContact O-N 3.06Å; E411-T423 WeakPolarHBondContact CA-O 3.3Å; C412-T423 PolarHBondContact N-O 3.2Å; C412-T423 PolarHBondContact SG-N 3.06Å; C412-T423 VanDerWaalsContact SG-N 3.44Å; T423-G425 PolarHBondContact OG1-N 3.42Å; T423-G425 VanDerWaalsContact OG1-N 3.08Å; T423-G425 PolarHBondContact OG1-O 3.07Å
424	A	97.1	Very high	94	Very high	28 Å²	28	64.4 Å²	64.4	23%	0.231	33%	0.325	C	S	.	.	S	Bend	trans	-93.8	-8	165.6	0	0	0	0	0	112.3	S84 R86	S84-A424 VanDerWaalsContact O-CB 3.24Å; S84-A424 WeakPolarHBondContact O-CB 3.38Å; S84-A424 PolarHBondContact O-N 2.91Å; R86-A424 HydrophobicContact CG-CB 4.21Å
425	G	96.3	Very high	93.7	Very high	8 Å²	8	63.7 Å²	63.7	8%	0.082	32%	0.32	C	S	.	.	S	Bend	trans	-90.1	163.8	169.9	0	0	0	0	0	112.3	S84 D395 T423	S84-G425 PolarHBondContact OG-N 3.21Å; D395-G425 WeakPolarHBondContact OD1-CA 3.45Å; T423-G425 PolarHBondContact OG1-N 3.42Å; T423-G425 VanDerWaalsContact OG1-N 3.08Å; T423-G425 PolarHBondContact OG1-O 3.07Å
426	R	95.1	Very high	93.3	Very high	89 Å²	89	61 Å²	61	34%	0.336	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-90.5	147.5	175.2	-62.7	177.3	177.2	143.2	-10.3	110.1	D395 R443	D395-R426 WeakPolarHBondContact CA-O 3.38Å; D395-R426 VanDerWaalsContact CB-O 3.3Å; D395-R426 WeakPolarHBondContact CB-O 3.35Å; D395-R426 PolarHBondContact OD1-N 2.71Å; R426-R443 VanDerWaalsContact CD-NH1 3.27Å
427	N	95.3	Very high	92	Very high	63 Å²	63	72.3 Å²	72.3	34%	0.337	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-78.1	123.7	168.7	-172.4	-7.5	0	0	0	109.9	P398 C402 V429	P398-N427 HydrophobicContact CB-CB 4.36Å; C402-N427 VanDerWaalsContact CB-ND2 3.29Å; C402-N427 WeakPolarHBondContact CB-ND2 3.44Å; C402-N427 PolarHBondContact SG-ND2 2.74Å; N427-V429 WeakPolarHBondContact OD1-CB 3.35Å; N427-V429 WeakPolarHBondContact OD1-CG2 3.26Å; N427-V429 PolarHBondContact OD1-N 2.75Å; N427-V429 VanDerWaalsContact OD1-N 3.08Å
428	L	95	Very high	90.6	Very high	4 Å²	4	71.8 Å²	71.8	2%	0.021	35%	0.351	C	S	.	.			trans	-94	4.6	-177.1	-53.5	175.4	0	0	0	113.5	F64 V391 D395 T399 D430 T431	F64-L428 HydrophobicContact CE1-CD1 3.9Å; F64-L428 HydrophobicContact CZ-CB 4.42Å; F64-L428 HydrophobicContact CZ-CD1 4.02Å; V391-L428 HydrophobicContact CB-CD1 4.03Å; V391-L428 HydrophobicContact CB-CD2 4.43Å; V391-L428 HydrophobicContact CG1-CD1 3.84Å; V391-L428 HydrophobicContact CG1-CD2 3.73Å; V391-L428 HydrophobicContact CG1-CG 4.45Å; V391-L428 HydrophobicContact CG2-CD1 4.49Å; D395-L428 HydrophobicContact CB-CD1 3.81Å; D395-L428 HydrophobicContact CB-CD2 4.27Å; D395-L428 HydrophobicContact CB-CG 3.94Å; T399-L428 HydrophobicContact CG2-CB 3.86Å; T399-L428 WeakPolarHBondContact OG1-CB 3.4Å; T399-L428 WeakPolarHBondContact OG1-CG 3.49Å; T399-L428 PolarHBondContact OG1-N 3.04Å; L428-D430 PolarHBondContact O-N 2.97Å; L428-D430 VanDerWaalsContact O-N 3.1Å; L428-T431 WeakPolarHBondContact O-CB 3.39Å; L428-T431 PolarHBondContact O-N 2.76Å; L428-T431 PolarHBondContact O-OG1 3.46Å
429	V	94.1	Very high	89.4	Confident	22 Å²	22	68 Å²	68	13%	0.133	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-39.7	-177.8	168.7	0	0	0	0	113.2	C402 M403 N427 T431 F432 Y433	C402-V429 HydrophobicContact CB-CG2 3.71Å; M403-V429 HydrophobicContact CG-CG2 3.7Å; M403-V429 HydrophobicContact SD-CB 4.05Å; M403-V429 HydrophobicContact SD-CG1 3.87Å; M403-V429 HydrophobicContact SD-CG2 3.51Å; M403-V429 VanDerWaalsContact SD-CG2 3.51Å; N427-V429 WeakPolarHBondContact OD1-CB 3.35Å; N427-V429 WeakPolarHBondContact OD1-CG2 3.26Å; N427-V429 PolarHBondContact OD1-N 2.75Å; N427-V429 VanDerWaalsContact OD1-N 3.08Å; V429-T431 PolarHBondContact O-N 2.97Å; V429-T431 VanDerWaalsContact O-N 3.12Å; V429-F432 WeakPolarHBondContact O-CB 3.5Å; V429-F432 PolarHBondContact O-N 2.99Å; V429-Y433 HydrophobicContact CG1-CD2 4.09Å; V429-Y433 HydrophobicContact CG1-CE2 3.79Å; V429-Y433 WeakPolarHBondContact O-CD2 3.36Å
430	D	91.4	Very high	88.3	Confident	104 Å²	104	68.8 Å²	68.8	56%	0.556	34%	0.337	S	S	*	.	H	α-helix	trans	-56.9	-32.7	179.3	-71.1	-24.4	0	0	0	112.6	L428 F432 Y433 Q434	L428-D430 PolarHBondContact O-N 2.97Å; L428-D430 VanDerWaalsContact O-N 3.1Å; D430-F432 PolarHBondContact O-N 3.3Å; D430-Y433 PolarHBondContact O-N 3.12Å; D430-Y433 VanDerWaalsContact O-N 3.13Å; D430-Q434 WeakPolarHBondContact O-CB 3.3Å; D430-Q434 WeakPolarHBondContact O-CG 3.25Å; D430-Q434 PolarHBondContact O-N 3.09Å
431	T	92.8	Very high	86.9	Confident	24 Å²	24	65.7 Å²	65.7	15%	0.147	33%	0.326	C	S	.	.	H	α-helix	trans	-67.5	-15.5	179	70.1	0	0	0	0	113.1	Q62 R385 L428 V429	Q62-T431 PolarHBondContact NE2-OG1 3.5Å; Q62-T431 PolarHBondContact OE1-O 2.81Å; Q62-T431 VanDerWaalsContact OE1-O 3.13Å; R385-T431 PolarHBondContact NE-O 3.35Å; R385-T431 PolarHBondContact NH2-O 2.68Å; L428-T431 WeakPolarHBondContact O-CB 3.39Å; L428-T431 PolarHBondContact O-N 2.76Å; L428-T431 PolarHBondContact O-OG1 3.46Å; V429-T431 PolarHBondContact O-N 2.97Å; V429-T431 VanDerWaalsContact O-N 3.12Å
432	F	92.6	Very high	85.9	Confident	3 Å²	3	68.9 Å²	68.9	1%	0.013	34%	0.339	C	S	.	.	H	α-helix	trans	-88.2	-13.8	175.4	-68.4	-97.2	0	0	0	113.4	Q62 F64 M351 V353 V356 T357 R385 T399 M403 V429 D430	Q62-F432 HydrophobicContact CB-CD1 4.28Å; Q62-F432 HydrophobicContact CB-CE1 3.78Å; Q62-F432 HydrophobicContact CB-CZ 4.33Å; Q62-F432 HydrophobicContact CG-CE1 4.41Å; Q62-F432 VanDerWaalsContact OE1-CD1 3.27Å; F64-F432 HydrophobicContact CE2-CZ 4.33Å; F64-F432 HydrophobicContact CZ-CE2 4.16Å; F64-F432 HydrophobicContact CZ-CZ 4.26Å; M351-F432 HydrophobicContact CB-CE1 3.99Å; M351-F432 HydrophobicContact CB-CZ 3.74Å; M351-F432 HydrophobicContact CG-CZ 4.29Å; M351-F432 HydrophobicContact SD-CE2 4.29Å; M351-F432 HydrophobicContact SD-CZ 3.7Å; V353-F432 HydrophobicContact CG2-CD1 4.38Å; V353-F432 HydrophobicContact CG2-CE1 3.99Å; V356-F432 HydrophobicContact CG1-CB 3.98Å; V356-F432 HydrophobicContact CG1-CD1 4.3Å; T357-F432 HydrophobicContact CG2-CD1 3.73Å; T357-F432 HydrophobicContact CG2-CE1 3.83Å; R385-F432 VanDerWaalsContact NH1-C 3.25Å; R385-F432 PolarHBondContact NH1-O 2.73Å; R385-F432 PolarHBondContact NH2-O 2.98Å; T399-F432 HydrophobicContact CG2-CE2 4.11Å; M403-F432 HydrophobicContact CE-CB 4.16Å; M403-F432 HydrophobicContact CE-CD1 3.97Å; M403-F432 HydrophobicContact CE-CD2 4.28Å; M403-F432 HydrophobicContact CE-CE1 4.44Å; M403-F432 HydrophobicContact CE-CG 3.87Å; M403-F432 HydrophobicContact SD-CD2 4.24Å; M403-F432 HydrophobicContact SD-CG 4.35Å; V429-F432 WeakPolarHBondContact O-CB 3.5Å; V429-F432 PolarHBondContact O-N 2.99Å; D430-F432 PolarHBondContact O-N 3.3Å
433	Y	90	Very high	85.4	Confident	149 Å²	149	72.2 Å²	72.2	58%	0.584	35%	0.351	S	S	*	.	H	α-helix	trans	-118.2	-19.2	-179.8	-61.3	-70.7	0	0	0	113	V356 V429 D430	V356-Y433 HydrophobicContact CG1-CE1 3.97Å; V356-Y433 HydrophobicContact CG2-CE1 4.44Å; V429-Y433 HydrophobicContact CG1-CD2 4.09Å; V429-Y433 HydrophobicContact CG1-CE2 3.79Å; V429-Y433 WeakPolarHBondContact O-CD2 3.36Å; D430-Y433 PolarHBondContact O-N 3.12Å; D430-Y433 VanDerWaalsContact O-N 3.13Å
434	Q	85.1	Confident	85.1	Confident	123 Å²	123	72.5 Å²	72.5	58%	0.575	35%	0.352	S	S	*	.	S	Bend	trans	-106.8	139.7	179.5	-57.8	-177.3	15.8	0	0	111.1	R385 D430	R385-Q434 PolarHBondContact NH2-O 2.92Å; D430-Q434 WeakPolarHBondContact O-CB 3.3Å; D430-Q434 WeakPolarHBondContact O-CG 3.25Å; D430-Q434 PolarHBondContact O-N 3.09Å
435	I	77.6	Confident	85.1	Confident	149 Å²	149	71.2 Å²	71.2	76%	0.764	34%	0.341	S	S	*	.			trans	-74.1	127.2	169	-61.3	173.4	0	0	0	107.5	R437	I435-R437 PolarHBondContact O-N 3.42Å; I435-R437 VanDerWaalsContact O-N 3.16Å
436	E	79.1	Confident	85.2	Confident	47 Å²	47	71.7 Å²	71.7	22%	0.22	34%	0.341	C	S	.	.			trans	-62.5	115.6	174.9	-175.4	170	-153	0	0	110.1	I387 Q388 T389 G438	I387-E436 WeakPolarHBondContact CA-OE2 3.28Å; I387-E436 HydrophobicContact CD1-CB 4.49Å; Q388-E436 PolarHBondContact N-OE2 3.46Å; T389-E436 WeakPolarHBondContact CA-OE1 3.36Å; T389-E436 VanDerWaalsContact CB-OE1 3.29Å; T389-E436 WeakPolarHBondContact CB-OE1 3.37Å; T389-E436 PolarHBondContact N-OE1 3.1Å; T389-E436 PolarHBondContact OG1-OE1 2.86Å; E436-G438 VanDerWaalsContact C-N 3.32Å; E436-G438 PolarHBondContact O-N 3.24Å
437	R	67.4	Low	85.4	Confident	242 Å²	242	67.6 Å²	67.6	91%	0.913	33%	0.326	S	S	*	.			trans	-93.2	67.2	179.4	-67.2	-172.6	-179.3	-176.1	0.8	110.3	I435	I435-R437 PolarHBondContact O-N 3.42Å; I435-R437 VanDerWaalsContact O-N 3.16Å
438	G	67	Low	85.6	Confident	40 Å²	40	65.2 Å²	65.2	41%	0.412	31%	0.313	S	S	.	.	S	Bend	trans	75.9	-176.7	177.4	0	0	0	0	0	114.2	E436	E436-G438 VanDerWaalsContact C-N 3.32Å; E436-G438 PolarHBondContact O-N 3.24Å
439	M	70.1	Confident	85.7	Confident	100 Å²	100	65 Å²	65	49%	0.493	31%	0.312	S	S	.	.			trans	-66.8	138.9	-174.6	-59.3	173.2	-71	0	0	111.5	P441 W478	M439-P441 WeakPolarHBondContact O-CD 3.49Å; M439-W478 HydrophobicContact CG-CD2 4.08Å; M439-W478 HydrophobicContact CG-CG 4.17Å; M439-W478 HydrophobicContact SD-CD2 3.9Å; M439-W478 VanDerWaalsContact SD-CE2 3.5Å; M439-W478 HydrophobicContact SD-CG 3.74Å; M439-W478 HydrophobicContact SD-CZ2 4.24Å; M439-W478 PolarHBondContact SD-NE1 2.87Å
440	I	75.2	Confident	86	Confident	66 Å²	66	64 Å²	64	34%	0.338	31%	0.306	S	S	.	.			trans	-110.5	92.5	175.5	-51.2	175.4	0	0	0	108.4	E442 R443	I440-E442 VanDerWaalsContact CG2-OE2 3.3Å; I440-E442 WeakPolarHBondContact CG2-OE2 3.37Å; I440-E442 PolarHBondContact O-N 2.92Å; I440-E442 VanDerWaalsContact O-N 3.09Å; I440-R443 HydrophobicContact CB-CB 4.48Å; I440-R443 HydrophobicContact CB-CG 3.72Å; I440-R443 HydrophobicContact CD1-CG 4.45Å; I440-R443 HydrophobicContact CG2-CG 3.62Å; I440-R443 WeakPolarHBondContact O-CB 3.48Å; I440-R443 PolarHBondContact O-N 3.45Å
441	P	68.9	Low	86.3	Confident	39 Å²	39	59.1 Å²	59.1	25%	0.253	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-21.8	-173.2	-24	35.4	0	0	0	114.7	M439 R443 N477 I479	M439-P441 WeakPolarHBondContact O-CD 3.49Å; P441-R443 VanDerWaalsContact C-N 3.25Å; P441-R443 PolarHBondContact O-N 3.35Å; P441-N477 PolarHBondContact O-ND2 2.82Å; P441-I479 HydrophobicContact CB-CD1 4.44Å
442	E	77.9	Confident	86.6	Confident	135 Å²	135	58.1 Å²	58.1	63%	0.631	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-13.4	178.7	-56.1	75.7	-163.9	0	0	112.7	I440 I444	I440-E442 VanDerWaalsContact CG2-OE2 3.3Å; I440-E442 WeakPolarHBondContact CG2-OE2 3.37Å; I440-E442 PolarHBondContact O-N 2.92Å; I440-E442 VanDerWaalsContact O-N 3.09Å; E442-I444 PolarHBondContact O-N 2.78Å
443	R	87.9	Confident	86.9	Confident	74 Å²	74	59 Å²	59	28%	0.279	28%	0.281	S	S	.	.			trans	-77.8	111.4	176.4	-67.2	-77.9	-177.2	171.3	-0.9	109.3	T389 R426 I440 P441 N477	T389-R443 HydrophobicContact CG2-CB 4.16Å; T389-R443 HydrophobicContact CG2-CG 3.74Å; R426-R443 VanDerWaalsContact CD-NH1 3.27Å; I440-R443 HydrophobicContact CB-CB 4.48Å; I440-R443 HydrophobicContact CB-CG 3.72Å; I440-R443 HydrophobicContact CD1-CG 4.45Å; I440-R443 HydrophobicContact CG2-CG 3.62Å; I440-R443 WeakPolarHBondContact O-CB 3.48Å; I440-R443 PolarHBondContact O-N 3.45Å; P441-R443 VanDerWaalsContact C-N 3.25Å; P441-R443 PolarHBondContact O-N 3.35Å; R443-N477 WeakPolarHBondContact O-CB 3.13Å
444	I	92.5	Very high	87.3	Confident	14 Å²	14	55.3 Å²	55.3	7%	0.072	27%	0.272	C	S	.	.			trans	-120.6	132.4	-178.7	-65.4	163.7	0	0	0	108.1	E442 F446 M475 R476 N477 R545	E442-I444 PolarHBondContact O-N 2.78Å; I444-F446 HydrophobicContact CG2-CD1 4.45Å; I444-F446 HydrophobicContact CG2-CD2 4.34Å; I444-F446 HydrophobicContact CG2-CE1 4.14Å; I444-F446 HydrophobicContact CG2-CE2 4.03Å; I444-F446 HydrophobicContact CG2-CZ 3.93Å; I444-M475 HydrophobicContact CG2-CB 3.87Å; I444-M475 HydrophobicContact CG2-CG 4.17Å; I444-M475 HydrophobicContact CG2-SD 4.49Å; I444-R476 CarbonylContact C-O 3.58Å; I444-R476 VanDerWaalsContact CA-O 3.32Å; I444-R476 WeakPolarHBondContact CA-O 3.37Å; I444-N477 HydrophobicContact CG1-CB 4.02Å; I444-R545 HydrophobicContact CD1-CG 3.68Å
445	A	96.9	Very high	87.9	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	145.3	160.8	0	0	0	0	0	110.1	F68 T390 E392 R476	F68-A445 HydrophobicContact CB-CB 3.76Å; F68-A445 HydrophobicContact CD2-CB 3.67Å; F68-A445 HydrophobicContact CG-CB 3.96Å; T390-A445 HydrophobicContact CG2-CB 3.44Å; T390-A445 VanDerWaalsContact CG2-CB 3.44Å; E392-A445 HydrophobicContact CG-CB 3.68Å; A445-R476 PolarHBondContact N-O 3.23Å; A445-R476 PolarHBondContact O-N 2.91Å
446	F	97.8	Very high	88.9	Confident	18 Å²	18	47.6 Å²	47.6	8%	0.079	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	134	175.5	-62.6	-89.1	0	0	0	110.7	Q70 E392 I444 S474 M475 Q541	Q70-F446 WeakPolarHBondContact CA-O 3.31Å; E392-F446 PolarHBondContact OE1-N 3.01Å; I444-F446 HydrophobicContact CG2-CD1 4.45Å; I444-F446 HydrophobicContact CG2-CD2 4.34Å; I444-F446 HydrophobicContact CG2-CE1 4.14Å; I444-F446 HydrophobicContact CG2-CE2 4.03Å; I444-F446 HydrophobicContact CG2-CZ 3.93Å; F446-S474 WeakPolarHBondContact CA-O 3.45Å; F446-M475 HydrophobicContact CD1-CG 3.8Å; F446-M475 HydrophobicContact CE1-CG 3.56Å; F446-M475 HydrophobicContact CE1-SD 3.84Å; F446-Q541 HydrophobicContact CD1-CG 4.05Å; F446-Q541 HydrophobicContact CE1-CB 3.77Å; F446-Q541 HydrophobicContact CE1-CG 3.6Å; F446-Q541 HydrophobicContact CE2-CG 4.29Å; F446-Q541 HydrophobicContact CZ-CB 3.68Å; F446-Q541 HydrophobicContact CZ-CG 3.73Å
447	S	98.8	Very high	89.8	Confident	4 Å²	4	48.7 Å²	48.7	3%	0.028	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	154.8	171.3	-49.6	0	0	0	0	109	A69 Q70 S474	A69-S447 PolarHBondContact O-OG 2.97Å; Q70-S447 CarbonylContact O-C 3.56Å; Q70-S447 VanDerWaalsContact O-CA 3.29Å; Q70-S447 WeakPolarHBondContact O-CA 3.39Å; S447-S474 PolarHBondContact N-O 3.13Å; S447-S474 VanDerWaalsContact N-O 3.09Å; S447-S474 WeakPolarHBondContact O-CA 3.49Å; S447-S474 PolarHBondContact O-N 2.89Å
448	Q	98.8	Very high	91.2	Very high	13 Å²	13	43.1 Å²	43.1	6%	0.061	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	158.5	171.9	66	-170.8	90.3	0	0	111.8	Q70 Q71 P87 D88 M471 G472 Y473	Q70-Q448 PolarHBondContact O-N 3.02Å; Q71-Q448 WeakPolarHBondContact CA-O 3.36Å; Q71-Q448 HydrophobicContact CB-CG 4.49Å; Q71-Q448 WeakPolarHBondContact CB-O 3.41Å; Q71-Q448 VanDerWaalsContact CG-O 3.26Å; Q71-Q448 WeakPolarHBondContact CG-O 3.37Å; P87-Q448 HydrophobicContact CB-CG 4.31Å; P87-Q448 HydrophobicContact CG-CG 4.31Å; D88-Q448 PolarHBondContact OD1-NE2 3.44Å; Q448-M471 HydrophobicContact CB-SD 4.25Å; Q448-M471 HydrophobicContact CG-SD 4.33Å; Q448-G472 CarbonylContact C-O 3.54Å; Q448-G472 WeakPolarHBondContact CA-O 3.34Å; Q448-G472 WeakPolarHBondContact CB-O 3.24Å; Q448-Y473 HydrophobicContact CB-CD1 4.02Å; Q448-Y473 HydrophobicContact CB-CE1 4.3Å
449	Y	98.9	Very high	92.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	134.2	170.9	-150.2	-88.5	0	0	0	112.9	Q71 V73 Y338 D461 M471 G472 W485	Q71-Y449 HydrophobicContact CG-CD2 3.77Å; Q71-Y449 HydrophobicContact CG-CE2 3.92Å; V73-Y449 HydrophobicContact CB-CE2 4.12Å; V73-Y449 HydrophobicContact CG1-CE2 3.94Å; Y338-Y449 VanDerWaalsContact CA-CE2 3.49Å; Y338-Y449 VanDerWaalsContact CA-CZ 3.41Å; Y338-Y449 HydrophobicContact CD1-CE2 4.5Å; Y338-Y449 AromaticContact CD1-CZ 3.95Å; Y338-Y449 WeakPolarHBondContact CD1-OH 3.3Å; Y338-Y449 VanDerWaalsContact O-CD1 3.31Å; Y338-Y449 WeakPolarHBondContact O-CD1 3.46Å; Y338-Y449 WeakPolarHBondContact O-CE1 3.4Å; Y449-D461 WeakPolarHBondContact CE1-O 3.35Å; Y449-D461 VanDerWaalsContact CZ-O 3.3Å; Y449-D461 PolarHBondContact OH-O 3.47Å; Y449-M471 VanDerWaalsContact C-SD 3.59Å; Y449-G472 PolarHBondContact N-O 2.81Å; Y449-G472 PolarHBondContact O-N 2.91Å; Y449-W485 WeakPolarHBondContact O-CZ3 3.43Å
450	P	98.8	Very high	94.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	152.8	179	33	-36.9	0	0	0	113.6	P463 I468 V470 M471	P450-P463 HydrophobicContact CB-CG 4.02Å; P450-P463 HydrophobicContact CG-CG 3.93Å; P450-I468 HydrophobicContact CB-CB 4.39Å; P450-I468 HydrophobicContact CB-CD1 3.59Å; P450-I468 HydrophobicContact CB-CG1 3.84Å; P450-I468 HydrophobicContact CB-CG2 3.64Å; P450-I468 HydrophobicContact CG-CD1 4.08Å; P450-V470 CarbonylContact C-O 3.56Å; P450-V470 WeakPolarHBondContact CA-O 3.3Å; P450-M471 HydrophobicContact CB-CE 3.83Å; P450-M471 HydrophobicContact CB-SD 4.03Å
451	R	98.9	Very high	95.2	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.008	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	145.6	171.1	-64.8	-72.4	-172.4	-118.3	-8	111.6	V252 A253 Y338 S460 K469 V470 W485	V252-R451 HydrophobicContact CG2-CB 4.12Å; V252-R451 HydrophobicContact CG2-CG 4.01Å; V252-R451 WeakPolarHBondContact O-CD 3.45Å; V252-R451 VanDerWaalsContact O-CG 3.32Å; V252-R451 WeakPolarHBondContact O-CG 3.45Å; V252-R451 PolarHBondContact O-NE 3.09Å; A253-R451 PolarHBondContact O-NH2 2.76Å; Y338-R451 PolarHBondContact O-NH1 3.25Å; Y338-R451 PolarHBondContact O-NH2 3.24Å; R451-S460 PolarHBondContact NH1-O 3.39Å; R451-K469 PolarHBondContact O-N 3.17Å; R451-V470 HydrophobicContact CB-CB 4.26Å; R451-V470 PolarHBondContact N-O 3.45Å; R451-V470 PolarHBondContact O-N 3.15Å; R451-W485 HydrophobicContact CG-CE3 4.08Å; R451-W485 HydrophobicContact CG-CH2 4.23Å; R451-W485 HydrophobicContact CG-CZ3 3.47Å; R451-W485 VanDerWaalsContact CG-CZ3 3.47Å
452	P	98.7	Very high	96.6	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.013	19%	0.185	C	C	.	.	S	Bend	trans	-83.7	-16.6	176.9	33.9	-34.8	0	0	0	113.6	Q457 N459 P463 D467 K469	P452-Q457 HydrophobicContact CG-CG 3.82Å; P452-Q457 VanDerWaalsContact CG-NE2 3.33Å; P452-N459 WeakPolarHBondContact CG-OD1 3.49Å; P452-P463 HydrophobicContact CB-CB 4.08Å; P452-P463 HydrophobicContact CG-CB 4.19Å; P452-D467 VanDerWaalsContact CA-O 3.24Å; P452-D467 WeakPolarHBondContact CA-O 3.38Å; P452-D467 HydrophobicContact CB-CB 4.5Å; P452-D467 WeakPolarHBondContact CB-O 3.41Å; P452-K469 VanDerWaalsContact O-CD 3.3Å; P452-K469 WeakPolarHBondContact O-CD 3.39Å
453	A	98.6	Very high	97.6	Very high	22 Å²	22	29.2 Å²	29.2	18%	0.182	16%	0.155	C	C	.	.	S	Bend	trans	-164.4	168.5	-179.4	0	0	0	0	0	110.8
454	D	98.6	Very high	98	Very high	72 Å²	72	28.7 Å²	28.7	39%	0.385	16%	0.157	S	C	.	.	S	Bend	trans	-71	-31.8	176.1	-66.2	-50.2	0	0	0	113.9	P251 V252 H501	P251-D454 CarbonylContact C-O 3.41Å; V252-D454 WeakPolarHBondContact CA-O 3.49Å; V252-D454 HydrophobicContact CB-CB 4.49Å; V252-D454 PolarHBondContact N-O 3.34Å; D454-H501 VanDerWaalsContact CG-ND1 3.3Å; D454-H501 WeakPolarHBondContact OD1-CB 3.35Å; D454-H501 IonicContact OD1-CE1 3.82Å; D454-H501 IonicContact OD1-CG 2.74Å; D454-H501 IonicContact OD1-ND1 3.61Å; D454-H501 PolarHBondContact OD1-ND1 2.96Å; D454-H501 IonicContact OD2-CE1 2.94Å; D454-H501 IonicContact OD2-ND1 3.19Å; D454-H501 PolarHBondContact OD2-ND1 3.17Å; D454-H501 VanDerWaalsContact OD2-ND1 3.15Å
455	T	98.3	Very high	98.3	Very high	95 Å²	95	29.6 Å²	29.6	58%	0.583	16%	0.162	S	C	*	.	S	Bend	trans	-97.3	137.6	178.3	52.2	0	0	0	0	110.4	Q457	T455-Q457 PolarHBondContact O-N 3.32Å
456	P	98.4	Very high	98.4	Very high	15 Å²	15	37 Å²	37	10%	0.097	19%	0.194	C	C	.	.			trans	-55.7	130.9	177.1	-26.7	34.5	0	0	0	112.8	P251 Y254 P256 P274 Y275	P251-P456 WeakPolarHBondContact O-CD 3.37Å; P251-P456 WeakPolarHBondContact O-CG 3.29Å; Y254-P456 HydrophobicContact CD1-CG 4.06Å; P256-P456 HydrophobicContact CB-CB 4.33Å; P256-P456 HydrophobicContact CG-CB 4.45Å; P274-P456 HydrophobicContact CB-CB 3.76Å; P274-P456 HydrophobicContact CB-CG 4.5Å; P274-P456 HydrophobicContact CG-CB 3.95Å; P274-P456 HydrophobicContact CG-CG 4.33Å; Y275-P456 HydrophobicContact CE1-CG 4.46Å
457	Q	97.9	Very high	98.4	Very high	70 Å²	70	38.9 Å²	38.9	33%	0.327	21%	0.205	S	C	.	.			trans	-137	173.1	178.4	56.8	-179.9	53	0	0	110.1	P452 T455 N459 S460	P452-Q457 HydrophobicContact CG-CG 3.82Å; P452-Q457 VanDerWaalsContact CG-NE2 3.33Å; T455-Q457 PolarHBondContact O-N 3.32Å; Q457-N459 WeakPolarHBondContact CG-OD1 3.47Å; Q457-N459 PolarHBondContact NE2-OD1 3.19Å; Q457-N459 PolarHBondContact O-N 3.32Å; Q457-N459 VanDerWaalsContact O-N 3.07Å; Q457-S460 WeakPolarHBondContact CG-OG 3.27Å; Q457-S460 PolarHBondContact N-OG 3.06Å; Q457-S460 WeakPolarHBondContact O-CB 3.49Å; Q457-S460 PolarHBondContact O-N 2.97Å; Q457-S460 PolarHBondContact O-OG 3.21Å
458	N	97.4	Very high	98.4	Very high	124 Å²	124	38.8 Å²	38.8	66%	0.663	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-29.1	-170.7	-78.1	-10.4	0	0	0	115.1	T258	T258-N458 WeakPolarHBondContact CG2-O 2.96Å
459	N	98.1	Very high	98.4	Very high	45 Å²	45	44.5 Å²	44.5	24%	0.241	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	16	176.6	68.7	-24.2	0	0	0	113	P452 Q457 D461 L462 P463	P452-N459 WeakPolarHBondContact CG-OD1 3.49Å; Q457-N459 WeakPolarHBondContact CG-OD1 3.47Å; Q457-N459 PolarHBondContact NE2-OD1 3.19Å; Q457-N459 PolarHBondContact O-N 3.32Å; Q457-N459 VanDerWaalsContact O-N 3.07Å; N459-D461 VanDerWaalsContact C-N 3.31Å; N459-D461 PolarHBondContact O-N 2.94Å; N459-L462 CarbonylContact O-C 3.55Å; N459-L462 VanDerWaalsContact O-C 3.27Å; N459-L462 PolarHBondContact O-N 2.9Å; N459-P463 WeakPolarHBondContact O-CA 3.5Å; N459-P463 WeakPolarHBondContact O-CD 3.47Å
460	S	98.6	Very high	98.4	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.007	23%	0.229	C	C	.	.	S	Bend	trans	-67.3	-29.9	177.7	-71.8	0	0	0	0	113.6	R451 Q457	R451-S460 PolarHBondContact NH1-O 3.39Å; Q457-S460 WeakPolarHBondContact CG-OG 3.27Å; Q457-S460 PolarHBondContact N-OG 3.06Å; Q457-S460 WeakPolarHBondContact O-CB 3.49Å; Q457-S460 PolarHBondContact O-N 2.97Å; Q457-S460 PolarHBondContact O-OG 3.21Å
461	D	98.5	Very high	98.4	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	23%	0.229	C	C	.	.	S	Bend	trans	-66.7	-42.5	174	-68.7	-51.4	0	0	0	111.2	N255 P256 W257 T258 Y338 Y449 N459	N255-D461 VanDerWaalsContact CB-OD1 3.31Å; N255-D461 WeakPolarHBondContact CB-OD1 3.46Å; N255-D461 PolarHBondContact ND2-OD1 2.95Å; P256-D461 WeakPolarHBondContact CD-OD1 3.45Å; W257-D461 WeakPolarHBondContact CA-OD2 3.14Å; W257-D461 PolarHBondContact N-OD1 3.08Å; W257-D461 PolarHBondContact N-OD2 3.33Å; T258-D461 VanDerWaalsContact CB-OD2 3.3Å; T258-D461 WeakPolarHBondContact CB-OD2 3.39Å; T258-D461 WeakPolarHBondContact CG2-OD2 3.25Å; T258-D461 PolarHBondContact N-OD2 2.89Å; T258-D461 PolarHBondContact OG1-OD2 3.3Å; Y338-D461 VanDerWaalsContact CB-O 3.31Å; Y338-D461 WeakPolarHBondContact CB-O 3.43Å; Y338-D461 HydrophobicContact CD1-CB 4.38Å; Y338-D461 VanDerWaalsContact CD1-O 3.24Å; Y338-D461 WeakPolarHBondContact CD1-O 3.5Å; Y338-D461 HydrophobicContact CD2-CB 3.48Å; Y338-D461 VanDerWaalsContact CD2-CB 3.48Å; Y338-D461 WeakPolarHBondContact CD2-OD1 3.36Å; Y338-D461 HydrophobicContact CE2-CB 3.83Å; Y338-D461 HydrophobicContact CG-CB 3.75Å; Y449-D461 WeakPolarHBondContact CE1-O 3.35Å; Y449-D461 VanDerWaalsContact CZ-O 3.3Å; Y449-D461 PolarHBondContact OH-O 3.47Å; N459-D461 VanDerWaalsContact C-N 3.31Å; N459-D461 PolarHBondContact O-N 2.94Å
462	L	98.2	Very high	98.4	Very high	42 Å²	42	44.5 Å²	44.5	22%	0.22	23%	0.229	C	C	.	.	S	Bend	trans	-144.5	78	-174.8	-166.4	62.2	0	0	0	110.6	V73 F95 N459	V73-L462 HydrophobicContact CG2-CD1 3.98Å; F95-L462 HydrophobicContact CD1-CD2 3.71Å; F95-L462 HydrophobicContact CE1-CD2 3.22Å; F95-L462 HydrophobicContact CE1-CG 4.39Å; F95-L462 HydrophobicContact CZ-CD2 4.13Å; N459-L462 CarbonylContact O-C 3.55Å; N459-L462 VanDerWaalsContact O-C 3.27Å; N459-L462 PolarHBondContact O-N 2.9Å
463	P	98.4	Very high	98.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.231	C	C	.	.			trans	-70.4	136.6	176.4	28.7	-33.7	0	0	0	110.1	P450 P452 N459 I468	P450-P463 HydrophobicContact CB-CG 4.02Å; P450-P463 HydrophobicContact CG-CG 3.93Å; P452-P463 HydrophobicContact CB-CB 4.08Å; P452-P463 HydrophobicContact CG-CB 4.19Å; N459-P463 WeakPolarHBondContact O-CA 3.5Å; N459-P463 WeakPolarHBondContact O-CD 3.47Å; P463-I468 HydrophobicContact CB-CG1 4.09Å; P463-I468 HydrophobicContact CG-CG1 4.01Å
464	D	98.1	Very high	98.4	Very high	63 Å²	63	44.1 Å²	44.1	34%	0.337	22%	0.223	S	C	.	.			trans	-62.1	148.9	166.1	-72.6	-23.6	0	0	0	109.4	N96 K466 D467 I468	N96-D464 PolarHBondContact ND2-OD1 3.39Å; N96-D464 VanDerWaalsContact ND2-OD1 3.08Å; D464-K466 HydrophobicContact CB-CG 4.2Å; D464-K466 PolarHBondContact O-N 3.23Å; D464-D467 PolarHBondContact O-N 3.14Å; D464-I468 PolarHBondContact O-N 2.86Å
465	L	98.4	Very high	98.3	Very high	33 Å²	33	40.8 Å²	40.8	17%	0.173	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-45	-46.7	-179.2	173.7	62.4	0	0	0	113.4	Y93 D94 D467 I468 P490 F493	Y93-L465 HydrophobicContact CD2-CD1 3.85Å; Y93-L465 HydrophobicContact CE2-CD1 4.24Å; D94-L465 PolarHBondContact OD2-N 3.47Å; L465-D467 PolarHBondContact O-N 3.35Å; L465-I468 HydrophobicContact CD1-CD1 4.27Å; L465-I468 PolarHBondContact O-N 3.14Å; L465-P490 HydrophobicContact CD1-CB 3.97Å; L465-P490 HydrophobicContact CG-CB 4.37Å; L465-P490 WeakPolarHBondContact O-CB 3.4Å; L465-F493 HydrophobicContact CD1-CE1 3.87Å; L465-F493 HydrophobicContact CD1-CZ 4.45Å; L465-F493 HydrophobicContact CD2-CE1 4.13Å; L465-F493 HydrophobicContact CD2-CZ 4Å
466	K	98.1	Very high	98.1	Very high	155 Å²	155	37 Å²	37	67%	0.674	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-63.2	-23.4	-178.7	65.5	177.8	-177.6	-174.9	0	114.2	D464	D464-K466 HydrophobicContact CB-CG 4.2Å; D464-K466 PolarHBondContact O-N 3.23Å
467	D	98.5	Very high	97.8	Very high	57 Å²	57	36.9 Å²	36.9	31%	0.305	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-96.9	-9.9	-175	-64.2	-30.1	0	0	0	112	P452 D464 L465 K469	P452-D467 VanDerWaalsContact CA-O 3.24Å; P452-D467 WeakPolarHBondContact CA-O 3.38Å; P452-D467 HydrophobicContact CB-CB 4.5Å; P452-D467 WeakPolarHBondContact CB-O 3.41Å; D464-D467 PolarHBondContact O-N 3.14Å; L465-D467 PolarHBondContact O-N 3.35Å; D467-K469 PolarHBondContact O-N 2.73Å
468	I	98.8	Very high	97.2	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	18%	0.179	C	C	.	.			trans	-65.4	129.2	177.9	-56.5	175.7	0	0	0	109.2	Y93 P450 P463 D464 L465 M471 F488 P490	Y93-I468 HydrophobicContact CD2-CD1 4.18Å; Y93-I468 HydrophobicContact CG-CD1 4.34Å; P450-I468 HydrophobicContact CB-CB 4.39Å; P450-I468 HydrophobicContact CB-CD1 3.59Å; P450-I468 HydrophobicContact CB-CG1 3.84Å; P450-I468 HydrophobicContact CB-CG2 3.64Å; P450-I468 HydrophobicContact CG-CD1 4.08Å; P463-I468 HydrophobicContact CB-CG1 4.09Å; P463-I468 HydrophobicContact CG-CG1 4.01Å; D464-I468 PolarHBondContact O-N 2.86Å; L465-I468 HydrophobicContact CD1-CD1 4.27Å; L465-I468 PolarHBondContact O-N 3.14Å; I468-M471 HydrophobicContact CG2-CE 4.42Å; I468-F488 HydrophobicContact CB-CD1 4.24Å; I468-F488 HydrophobicContact CG2-CD1 3.58Å; I468-F488 HydrophobicContact CG2-CE1 4.16Å; I468-F488 HydrophobicContact CG2-CG 4.4Å; I468-P490 VanDerWaalsContact O-CD 3.31Å; I468-P490 WeakPolarHBondContact O-CD 3.29Å; I468-P490 WeakPolarHBondContact O-CG 3.39Å
469	K	98.6	Very high	96.8	Very high	134 Å²	134	33 Å²	33	58%	0.583	15%	0.154	S	C	*	.			trans	-126.2	-23.1	175.5	-60.5	-175.2	-167.6	165.7	0	113.2	R451 P452 D467 F488	R451-K469 PolarHBondContact O-N 3.17Å; P452-K469 VanDerWaalsContact O-CD 3.3Å; P452-K469 WeakPolarHBondContact O-CD 3.39Å; D467-K469 PolarHBondContact O-N 2.73Å; K469-F488 PolarHBondContact O-N 2.85Å
470	V	98.8	Very high	96.5	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.006	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	139.4	-179.4	-170.7	0	0	0	0	108.3	V252 P450 R451 W485 L486 H501	V252-V470 HydrophobicContact CG2-CB 4.44Å; V252-V470 HydrophobicContact CG2-CG1 4.07Å; P450-V470 CarbonylContact C-O 3.56Å; P450-V470 WeakPolarHBondContact CA-O 3.3Å; R451-V470 HydrophobicContact CB-CB 4.26Å; R451-V470 PolarHBondContact N-O 3.45Å; R451-V470 PolarHBondContact O-N 3.15Å; V470-W485 HydrophobicContact CG1-CB 3.88Å; V470-W485 HydrophobicContact CG1-CE3 4.15Å; V470-L486 CarbonylContact C-O 3.4Å; V470-L486 VanDerWaalsContact CA-O 3.3Å; V470-L486 WeakPolarHBondContact CA-O 3.37Å; V470-L486 WeakPolarHBondContact CG1-O 3.4Å; V470-H501 HydrophobicContact CG1-CB 4.37Å; V470-H501 VanDerWaalsContact CG2-CE1 3.5Å; V470-H501 WeakPolarHBondContact CG2-CE1 3.25Å
471	M	98.8	Very high	96.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	121	171.9	-172.7	65.6	70.1	0	0	109	Y93 Q448 Y449 P450 I468 Y473 L486 F488	Y93-M471 HydrophobicContact CD1-CE 3.82Å; Y93-M471 HydrophobicContact CD2-CE 4.42Å; Y93-M471 HydrophobicContact CE1-CE 3.92Å; Y93-M471 HydrophobicContact CG-CE 4.07Å; Q448-M471 HydrophobicContact CB-SD 4.25Å; Q448-M471 HydrophobicContact CG-SD 4.33Å; Y449-M471 VanDerWaalsContact C-SD 3.59Å; P450-M471 HydrophobicContact CB-CE 3.83Å; P450-M471 HydrophobicContact CB-SD 4.03Å; I468-M471 HydrophobicContact CG2-CE 4.42Å; M471-Y473 HydrophobicContact CB-CD2 4.2Å; M471-Y473 HydrophobicContact CB-CE2 3.63Å; M471-Y473 HydrophobicContact CG-CD2 3.82Å; M471-Y473 HydrophobicContact CG-CE1 4.14Å; M471-Y473 HydrophobicContact CG-CE2 3.25Å; M471-Y473 HydrophobicContact CG-CG 4.47Å; M471-Y473 VanDerWaalsContact CG-CZ 3.45Å; M471-L486 PolarHBondContact N-O 2.76Å; M471-L486 PolarHBondContact O-N 3.35Å; M471-F488 HydrophobicContact CB-CB 4.03Å; M471-F488 HydrophobicContact CB-CD2 4.29Å; M471-F488 HydrophobicContact CB-CG 4.25Å; M471-F488 HydrophobicContact CE-CE1 4.44Å; M471-F488 HydrophobicContact CE-CZ 4.42Å
472	G	98.7	Very high	96.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	106.1	173.8	0	0	0	0	0	110.1	N340 Q448 Y449 L484	N340-G472 PolarHBondContact ND2-O 2.95Å; Q448-G472 CarbonylContact C-O 3.54Å; Q448-G472 WeakPolarHBondContact CA-O 3.34Å; Q448-G472 WeakPolarHBondContact CB-O 3.24Å; Y449-G472 PolarHBondContact N-O 2.81Å; Y449-G472 PolarHBondContact O-N 2.91Å; G472-L484 CarbonylContact C-O 3.48Å; G472-L484 WeakPolarHBondContact CA-O 3Å
473	Y	98.6	Very high	96.3	Very high	15 Å²	15	29.5 Å²	29.5	6%	0.059	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	129.8	174.4	-70.6	-85.3	0	0	0	110.1	D88 Q448 M471 T483 L484 L486 V495 L540 M544	D88-Y473 PolarHBondContact OD1-OH 3.05Å; D88-Y473 VanDerWaalsContact OD2-CE1 3.3Å; D88-Y473 WeakPolarHBondContact OD2-CE1 3.44Å; D88-Y473 PolarHBondContact OD2-OH 3.23Å; Q448-Y473 HydrophobicContact CB-CD1 4.02Å; Q448-Y473 HydrophobicContact CB-CE1 4.3Å; M471-Y473 HydrophobicContact CB-CD2 4.2Å; M471-Y473 HydrophobicContact CB-CE2 3.63Å; M471-Y473 HydrophobicContact CG-CD2 3.82Å; M471-Y473 HydrophobicContact CG-CE1 4.14Å; M471-Y473 HydrophobicContact CG-CE2 3.25Å; M471-Y473 HydrophobicContact CG-CG 4.47Å; M471-Y473 VanDerWaalsContact CG-CZ 3.45Å; Y473-T483 CarbonylContact O-C 3.51Å; Y473-T483 VanDerWaalsContact O-CA 3.24Å; Y473-T483 WeakPolarHBondContact O-CA 3.35Å; Y473-T483 WeakPolarHBondContact O-CG2 3.4Å; Y473-L484 PolarHBondContact N-O 2.85Å; Y473-L484 PolarHBondContact O-N 2.88Å; Y473-L486 HydrophobicContact CD2-CD1 4.17Å; Y473-V495 HydrophobicContact CE2-CB 4.38Å; Y473-V495 HydrophobicContact CE2-CG1 3.9Å; Y473-V495 HydrophobicContact CE2-CG2 3.51Å; Y473-V495 WeakPolarHBondContact OH-CG2 3.48Å; Y473-L540 HydrophobicContact CD1-CD2 3.74Å; Y473-L540 HydrophobicContact CD2-CD2 3.67Å; Y473-L540 HydrophobicContact CE1-CD2 3.66Å; Y473-L540 HydrophobicContact CE2-CD2 3.57Å; Y473-L540 HydrophobicContact CG-CD2 3.74Å; Y473-M544 VanDerWaalsContact CB-SD 3.58Å; Y473-M544 HydrophobicContact CG-SD 4.44Å; Y473-M544 WeakPolarHBondContact O-CE 3.19Å
474	S	98.4	Very high	96.3	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.014	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	138.9	-177.3	-164.3	0	0	0	0	112.1	F446 S447 R481 Y482 T483	F446-S474 WeakPolarHBondContact CA-O 3.45Å; S447-S474 PolarHBondContact N-O 3.13Å; S447-S474 VanDerWaalsContact N-O 3.09Å; S447-S474 WeakPolarHBondContact O-CA 3.49Å; S447-S474 PolarHBondContact O-N 2.89Å; S474-R481 PolarHBondContact OG-NH2 3.31Å; S474-Y482 CarbonylContact C-O 3.2Å; S474-Y482 WeakPolarHBondContact CA-O 3.32Å; S474-T483 WeakPolarHBondContact CB-OG1 3.35Å; S474-T483 PolarHBondContact OG-OG1 2.7Å
475	M	96.6	Very high	96.3	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	130.9	169.6	-65.2	-168.4	-55.5	0	0	109.3	I444 F446 R481 Y482 M544 R545 L548	I444-M475 HydrophobicContact CG2-CB 3.87Å; I444-M475 HydrophobicContact CG2-CG 4.17Å; I444-M475 HydrophobicContact CG2-SD 4.49Å; F446-M475 HydrophobicContact CD1-CG 3.8Å; F446-M475 HydrophobicContact CE1-CG 3.56Å; F446-M475 HydrophobicContact CE1-SD 3.84Å; M475-R481 WeakPolarHBondContact O-CA 3.36Å; M475-Y482 HydrophobicContact CE-CD1 3.8Å; M475-Y482 HydrophobicContact CE-CE1 4.49Å; M475-Y482 PolarHBondContact N-O 2.7Å; M475-Y482 PolarHBondContact O-N 3.43Å; M475-M544 HydrophobicContact CE-CB 3.72Å; M475-M544 WeakPolarHBondContact CE-O 3.41Å; M475-M544 HydrophobicContact CG-CB 4.36Å; M475-M544 HydrophobicContact CG-CE 4.11Å; M475-M544 HydrophobicContact SD-CB 3.61Å; M475-R545 HydrophobicContact SD-CB 4.41Å; M475-R545 HydrophobicContact SD-CG 3.71Å; M475-L548 HydrophobicContact CE-CB 3.54Å; M475-L548 HydrophobicContact CE-CD2 3.73Å; M475-L548 HydrophobicContact CE-CG 4.26Å
476	R	95.1	Very high	96.3	Very high	16 Å²	16	25.3 Å²	25.3	6%	0.06	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	120	178.8	178.8	57.6	169.3	77.4	5.3	109.5	F68 D342 I444 A445 L508	F68-R476 HydrophobicContact CD1-CG 4.22Å; F68-R476 HydrophobicContact CD2-CG 4.34Å; F68-R476 HydrophobicContact CE1-CG 3.68Å; F68-R476 HydrophobicContact CE2-CG 3.8Å; F68-R476 HydrophobicContact CZ-CG 3.46Å; F68-R476 VanDerWaalsContact CZ-CG 3.46Å; D342-R476 VanDerWaalsContact CG-NE 3.31Å; D342-R476 WeakPolarHBondContact OD1-CD 3.29Å; D342-R476 IonicContact OD1-CZ 3.41Å; D342-R476 IonicContact OD1-NE 3.53Å; D342-R476 PolarHBondContact OD1-NE 2.87Å; D342-R476 IonicContact OD2-CZ 2.73Å; D342-R476 IonicContact OD2-NE 3.45Å; D342-R476 PolarHBondContact OD2-NE 2.86Å; D342-R476 IonicContact OD2-NH2 3.25Å; D342-R476 PolarHBondContact OD2-NH2 2.84Å; I444-R476 CarbonylContact C-O 3.58Å; I444-R476 VanDerWaalsContact CA-O 3.32Å; I444-R476 WeakPolarHBondContact CA-O 3.37Å; A445-R476 PolarHBondContact N-O 3.23Å; A445-R476 PolarHBondContact O-N 2.91Å; R476-L508 VanDerWaalsContact NE-CD1 3.28Å; R476-L508 VanDerWaalsContact NH1-CD1 3.31Å
477	N	90.6	Very high	96.3	Very high	13 Å²	13	18.1 Å²	18.1	7%	0.07	8%	0.082	C	C	.	.			trans	-125.3	179	165	74.4	3.3	0	0	0	109.1	P441 R443 I444 I479 Y480	P441-N477 PolarHBondContact O-ND2 2.82Å; R443-N477 WeakPolarHBondContact O-CB 3.13Å; I444-N477 HydrophobicContact CG1-CB 4.02Å; N477-I479 PolarHBondContact O-N 2.82Å; N477-I479 PolarHBondContact OD1-N 2.89Å; N477-Y480 PolarHBondContact N-O 2.9Å; N477-Y480 PolarHBondContact O-N 2.9Å; N477-Y480 PolarHBondContact OD1-N 3.35Å; N477-Y480 PolarHBondContact OD1-O 2.56Å
478	W	86.4	Confident	96.3	Very high	84 Å²	84	16 Å²	16	32%	0.318	7%	0.07	S	C	.	.	S	Bend	trans	-52.1	-28.2	-177.5	-172.3	-82.6	0	0	0	115	N66 Q388 M439	N66-W478 WeakPolarHBondContact ND2-CZ3 3.19Å; Q388-W478 HydrophobicContact CB-CE3 4.26Å; Q388-W478 HydrophobicContact CB-CH2 4.11Å; Q388-W478 HydrophobicContact CB-CZ3 3.5Å; Q388-W478 HydrophobicContact CG-CH2 3.91Å; Q388-W478 HydrophobicContact CG-CZ3 3.77Å; M439-W478 HydrophobicContact CG-CD2 4.08Å; M439-W478 HydrophobicContact CG-CG 4.17Å; M439-W478 HydrophobicContact SD-CD2 3.9Å; M439-W478 VanDerWaalsContact SD-CE2 3.5Å; M439-W478 HydrophobicContact SD-CG 3.74Å; M439-W478 HydrophobicContact SD-CZ2 4.24Å; M439-W478 PolarHBondContact SD-NE1 2.87Å
479	I	88.8	Confident	96.3	Very high	29 Å²	29	18.3 Å²	18.3	15%	0.149	8%	0.082	C	C	.	.	S	Bend	trans	-101	-36.1	-170.6	-49.7	173.8	0	0	0	111.7	P441 N477 L508 T557	P441-I479 HydrophobicContact CB-CD1 4.44Å; N477-I479 PolarHBondContact O-N 2.82Å; N477-I479 PolarHBondContact OD1-N 2.89Å; I479-L508 PolarHBondContact O-N 2.91Å; I479-T557 HydrophobicContact CG2-CG2 4.34Å
480	Y	92.6	Very high	96.2	Very high	14 Å²	14	12.9 Å²	12.9	6%	0.055	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	148.6	-168.8	-49.7	-72	0	0	0	112.2	N477 L505 Y506 I507 L548 T552 L555	N477-Y480 PolarHBondContact N-O 2.9Å; N477-Y480 PolarHBondContact O-N 2.9Å; N477-Y480 PolarHBondContact OD1-N 3.35Å; N477-Y480 PolarHBondContact OD1-O 2.56Å; Y480-L505 HydrophobicContact CD1-CD1 4.14Å; Y480-L505 HydrophobicContact CG-CD1 4.32Å; Y480-Y506 VanDerWaalsContact CA-O 3.32Å; Y480-Y506 WeakPolarHBondContact CA-O 3.28Å; Y480-I507 HydrophobicContact CD1-CB 4.36Å; Y480-I507 HydrophobicContact CD1-CG1 3.99Å; Y480-I507 HydrophobicContact CD1-CG2 4.26Å; Y480-I507 HydrophobicContact CE1-CB 4.41Å; Y480-I507 HydrophobicContact CE1-CD1 4.46Å; Y480-I507 HydrophobicContact CE1-CG1 3.97Å; Y480-I507 HydrophobicContact CE1-CG2 3.95Å; Y480-L548 HydrophobicContact CD2-CD1 4.28Å; Y480-L548 HydrophobicContact CG-CD1 4.31Å; Y480-T552 HydrophobicContact CD1-CG2 4.19Å; Y480-T552 HydrophobicContact CD2-CG2 3.87Å; Y480-T552 HydrophobicContact CE1-CG2 3.8Å; Y480-T552 HydrophobicContact CE2-CG2 3.46Å; Y480-T552 VanDerWaalsContact CE2-CG2 3.46Å; Y480-T552 HydrophobicContact CG-CG2 4.22Å; Y480-T552 VanDerWaalsContact CZ-CG2 3.43Å; Y480-L555 HydrophobicContact CE1-CD1 4.49Å
481	R	96.5	Very high	96.1	Very high	1 Å²	1	22.8 Å²	22.8	0%	0.004	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	124.3	154.4	-171.5	-178.7	175.6	-79.9	-25.9	108.9	N340 S474 M475 T483 E504 L505 Y506 E514	N340-R481 PolarHBondContact O-NE 3.37Å; N340-R481 PolarHBondContact O-NH2 2.91Å; S474-R481 PolarHBondContact OG-NH2 3.31Å; M475-R481 WeakPolarHBondContact O-CA 3.36Å; R481-T483 VanDerWaalsContact CZ-OG1 3.23Å; R481-T483 PolarHBondContact NH1-OG1 2.8Å; R481-T483 PolarHBondContact NH2-OG1 2.95Å; R481-E504 IonicContact NH1-OE1 3.19Å; R481-L505 WeakPolarHBondContact O-CA 3.43Å; R481-Y506 HydrophobicContact CB-CD2 4.34Å; R481-Y506 PolarHBondContact N-O 3.04Å; R481-Y506 VanDerWaalsContact N-O 3.14Å; R481-Y506 PolarHBondContact O-N 3.2Å; R481-E514 WeakPolarHBondContact CB-OE1 3.49Å; R481-E514 WeakPolarHBondContact CD-OE1 3.41Å
482	Y	96.6	Very high	96	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	121.7	-178	178.2	-101.3	0	0	0	110.8	S474 M475 L484 E504 L505 Y519 M544 Q547 L548 H551	S474-Y482 CarbonylContact C-O 3.2Å; S474-Y482 WeakPolarHBondContact CA-O 3.32Å; M475-Y482 HydrophobicContact CE-CD1 3.8Å; M475-Y482 HydrophobicContact CE-CE1 4.49Å; M475-Y482 PolarHBondContact N-O 2.7Å; M475-Y482 PolarHBondContact O-N 3.43Å; Y482-L484 HydrophobicContact CE1-CD1 3.84Å; Y482-L484 HydrophobicContact CE1-CD2 4.3Å; Y482-L484 HydrophobicContact CE1-CG 3.75Å; Y482-E504 WeakPolarHBondContact CA-O 3.18Å; Y482-L505 HydrophobicContact CD2-CB 4.16Å; Y482-L505 HydrophobicContact CD2-CD1 4Å; Y482-Y519 HydrophobicContact CD2-CD2 4.5Å; Y482-Y519 AromaticContact CE2-CD2 3.8Å; Y482-Y519 HydrophobicContact CE2-CD2 3.8Å; Y482-Y519 AromaticContact CE2-CE2 3.7Å; Y482-Y519 HydrophobicContact CE2-CE2 3.7Å; Y482-M544 HydrophobicContact CD1-CE 4.35Å; Y482-Q547 PolarHBondContact OH-OE1 3.25Å; Y482-L548 HydrophobicContact CD1-CB 4.41Å; Y482-L548 HydrophobicContact CD2-CD1 4.34Å; Y482-L548 HydrophobicContact CG-CD1 4.13Å; Y482-H551 AromaticContact CE2-CD2 3.67Å; Y482-H551 AromaticContact CZ-CD2 3.86Å; Y482-H551 PolarHBondContact OH-CD2 3.31Å; Y482-H551 PolarHBondContact OH-NE2 3Å
483	T	97.9	Very high	95.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	139.2	-176.2	-49.1	0	0	0	0	111	Y473 S474 R481 W485 G503 E504	Y473-T483 CarbonylContact O-C 3.51Å; Y473-T483 VanDerWaalsContact O-CA 3.24Å; Y473-T483 WeakPolarHBondContact O-CA 3.35Å; Y473-T483 WeakPolarHBondContact O-CG2 3.4Å; S474-T483 WeakPolarHBondContact CB-OG1 3.35Å; S474-T483 PolarHBondContact OG-OG1 2.7Å; R481-T483 VanDerWaalsContact CZ-OG1 3.23Å; R481-T483 PolarHBondContact NH1-OG1 2.8Å; R481-T483 PolarHBondContact NH2-OG1 2.95Å; T483-W485 HydrophobicContact CG2-CZ2 4.42Å; T483-G503 CarbonylContact O-C 3.57Å; T483-G503 VanDerWaalsContact O-CA 3.28Å; T483-G503 WeakPolarHBondContact O-CA 3.39Å; T483-E504 WeakPolarHBondContact CB-OE2 2.81Å; T483-E504 WeakPolarHBondContact CG2-OE2 3.43Å; T483-E504 PolarHBondContact N-O 2.88Å; T483-E504 PolarHBondContact O-N 3.19Å
484	L	97.7	Very high	95.6	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.021	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	129.1	170.1	-67.9	175.1	0	0	0	109.9	G472 Y473 Y482 L486 V500 Y519 M544 Q547	G472-L484 CarbonylContact C-O 3.48Å; G472-L484 WeakPolarHBondContact CA-O 3Å; Y473-L484 PolarHBondContact N-O 2.85Å; Y473-L484 PolarHBondContact O-N 2.88Å; Y482-L484 HydrophobicContact CE1-CD1 3.84Å; Y482-L484 HydrophobicContact CE1-CD2 4.3Å; Y482-L484 HydrophobicContact CE1-CG 3.75Å; L484-L486 HydrophobicContact CB-CD1 4.39Å; L484-L486 HydrophobicContact CB-CD2 4.11Å; L484-L486 HydrophobicContact CB-CG 4.06Å; L484-V500 HydrophobicContact CD2-CG1 4.36Å; L484-Y519 HydrophobicContact CD2-CE2 3.69Å; L484-Y519 WeakPolarHBondContact CD2-OH 3.38Å; L484-M544 HydrophobicContact CB-CE 4.5Å; L484-M544 HydrophobicContact CD1-CG 4.38Å; L484-Q547 VanDerWaalsContact CD1-OE1 3.26Å
485	W	98.4	Very high	95.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	109.5	172.9	-63.5	88.7	0	0	0	108.4	V252 A253 N340 Y449 R451 V470 T483 H501 A502 E504	V252-W485 HydrophobicContact CB-CD2 4.46Å; V252-W485 HydrophobicContact CG1-CB 3.85Å; V252-W485 HydrophobicContact CG1-CD2 3.75Å; V252-W485 HydrophobicContact CG1-CE3 4.35Å; V252-W485 HydrophobicContact CG1-CG 3.48Å; V252-W485 VanDerWaalsContact CG1-CG 3.48Å; V252-W485 HydrophobicContact CG2-CB 4.45Å; V252-W485 HydrophobicContact CG2-CD2 4.04Å; V252-W485 HydrophobicContact CG2-CE3 3.77Å; V252-W485 HydrophobicContact CG2-CG 4.34Å; V252-W485 HydrophobicContact CG2-CZ3 4.45Å; A253-W485 HydrophobicContact CB-CZ2 3.6Å; N340-W485 HydrophobicContact CB-CZ2 4.43Å; Y449-W485 WeakPolarHBondContact O-CZ3 3.43Å; R451-W485 HydrophobicContact CG-CE3 4.08Å; R451-W485 HydrophobicContact CG-CH2 4.23Å; R451-W485 HydrophobicContact CG-CZ3 3.47Å; R451-W485 VanDerWaalsContact CG-CZ3 3.47Å; V470-W485 HydrophobicContact CG1-CB 3.88Å; V470-W485 HydrophobicContact CG1-CE3 4.15Å; T483-W485 HydrophobicContact CG2-CZ2 4.42Å; W485-H501 HydrophobicContact CB-CB 4.17Å; W485-H501 WeakPolarHBondContact O-CB 3.39Å; W485-H501 PolarHBondContact O-N 2.79Å; W485-A502 HydrophobicContact CB-CB 4.24Å; W485-A502 HydrophobicContact CG-CB 4.36Å; W485-A502 PolarHBondContact N-O 2.74Å; W485-E504 PolarHBondContact NE1-OE2 2.86Å
486	L	98.1	Very high	95.2	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.016	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	146.7	-169.6	-59	174.6	0	0	0	111	V470 M471 Y473 L484 V495 L497 D499 V500 L540	V470-L486 CarbonylContact C-O 3.4Å; V470-L486 VanDerWaalsContact CA-O 3.3Å; V470-L486 WeakPolarHBondContact CA-O 3.37Å; V470-L486 WeakPolarHBondContact CG1-O 3.4Å; M471-L486 PolarHBondContact N-O 2.76Å; M471-L486 PolarHBondContact O-N 3.35Å; Y473-L486 HydrophobicContact CD2-CD1 4.17Å; L484-L486 HydrophobicContact CB-CD1 4.39Å; L484-L486 HydrophobicContact CB-CD2 4.11Å; L484-L486 HydrophobicContact CB-CG 4.06Å; L486-V495 HydrophobicContact CB-CG1 3.62Å; L486-V495 HydrophobicContact CD1-CG1 3.69Å; L486-V495 HydrophobicContact CG-CG1 4.31Å; L486-L497 HydrophobicContact CD1-CD2 3.85Å; L486-D499 CarbonylContact C-O 3.27Å; L486-D499 WeakPolarHBondContact CA-O 3.37Å; L486-V500 HydrophobicContact CD2-CB 4.32Å; L486-V500 HydrophobicContact CD2-CG1 4.45Å; L486-V500 HydrophobicContact CD2-CG2 3.75Å; L486-L540 HydrophobicContact CD1-CD1 4.19Å
487	G	98.4	Very high	94.8	Very high	4 Å²	4	39.4 Å²	39.4	4%	0.041	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	138	171.9	0	0	0	0	0	111.5	V495 N496 D499	G487-V495 CarbonylContact O-C 3.55Å; G487-V495 WeakPolarHBondContact O-CA 3.38Å; G487-N496 PolarHBondContact O-N 2.8Å; G487-D499 PolarHBondContact N-O 3.41Å
488	F	98.4	Very high	94.6	Very high	13 Å²	13	44.2 Å²	44.2	6%	0.057	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	128.6	-176.8	-178.3	-102.1	0	0	0	110.9	Y93 I468 K469 M471 P490 F493 V495	Y93-F488 HydrophobicContact CE2-CE1 4.3Å; Y93-F488 AromaticContact CE2-CZ 3.79Å; Y93-F488 HydrophobicContact CE2-CZ 3.79Å; I468-F488 HydrophobicContact CB-CD1 4.24Å; I468-F488 HydrophobicContact CG2-CD1 3.58Å; I468-F488 HydrophobicContact CG2-CE1 4.16Å; I468-F488 HydrophobicContact CG2-CG 4.4Å; K469-F488 PolarHBondContact O-N 2.85Å; M471-F488 HydrophobicContact CB-CB 4.03Å; M471-F488 HydrophobicContact CB-CD2 4.29Å; M471-F488 HydrophobicContact CB-CG 4.25Å; M471-F488 HydrophobicContact CE-CE1 4.44Å; M471-F488 HydrophobicContact CE-CZ 4.42Å; F488-P490 HydrophobicContact CD1-CB 4.27Å; F488-P490 HydrophobicContact CE1-CB 3.92Å; F488-P490 WeakPolarHBondContact O-CD 3.48Å; F488-F493 HydrophobicContact CZ-CD1 4.3Å; F488-V495 HydrophobicContact CD2-CG2 3.93Å; F488-V495 HydrophobicContact CE2-CG2 4.37Å
489	D	98	Very high	94.9	Very high	50 Å²	50	43.7 Å²	43.7	27%	0.267	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	108.2	170.5	-171.5	-23	0	0	0	109.9	R491 S492 F493 Q494	D489-R491 PolarHBondContact O-N 2.79Å; D489-R491 VanDerWaalsContact OD1-CB 3.3Å; D489-R491 WeakPolarHBondContact OD1-CB 3.47Å; D489-R491 IonicContact OD1-CZ 2.7Å; D489-R491 PolarHBondContact OD1-N 2.79Å; D489-R491 IonicContact OD1-NE 3.21Å; D489-R491 PolarHBondContact OD1-NE 3.11Å; D489-R491 IonicContact OD1-NH2 3.62Å; D489-R491 IonicContact OD2-CZ 2.83Å; D489-R491 IonicContact OD2-NE 3.38Å; D489-R491 IonicContact OD2-NH2 3.47Å; D489-R491 PolarHBondContact OD2-NH2 3.01Å; D489-S492 PolarHBondContact O-N 3.07Å; D489-F493 WeakPolarHBondContact O-CA 3.37Å; D489-F493 PolarHBondContact O-N 2.85Å; D489-Q494 PolarHBondContact N-O 2.69Å; D489-Q494 PolarHBondContact O-N 3.18Å
490	P	97.3	Very high	95.2	Very high	21 Å²	21	45.5 Å²	45.5	14%	0.136	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-11.9	-177.8	30.3	-36.7	0	0	0	113.8	L465 I468 F488	L465-P490 HydrophobicContact CD1-CB 3.97Å; L465-P490 HydrophobicContact CG-CB 4.37Å; L465-P490 WeakPolarHBondContact O-CB 3.4Å; I468-P490 VanDerWaalsContact O-CD 3.31Å; I468-P490 WeakPolarHBondContact O-CD 3.29Å; I468-P490 WeakPolarHBondContact O-CG 3.39Å; F488-P490 HydrophobicContact CD1-CB 4.27Å; F488-P490 HydrophobicContact CE1-CB 3.92Å; F488-P490 WeakPolarHBondContact O-CD 3.48Å
491	R	96.6	Very high	95.4	Very high	208 Å²	208	47.8 Å²	47.8	79%	0.785	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-37.7	176.9	-60.1	170.4	-64.6	-179.5	4.2	111.5	D489	D489-R491 PolarHBondContact O-N 2.79Å; D489-R491 VanDerWaalsContact OD1-CB 3.3Å; D489-R491 WeakPolarHBondContact OD1-CB 3.47Å; D489-R491 IonicContact OD1-CZ 2.7Å; D489-R491 PolarHBondContact OD1-N 2.79Å; D489-R491 IonicContact OD1-NE 3.21Å; D489-R491 PolarHBondContact OD1-NE 3.11Å; D489-R491 IonicContact OD1-NH2 3.62Å; D489-R491 IonicContact OD2-CZ 2.83Å; D489-R491 IonicContact OD2-NE 3.38Å; D489-R491 IonicContact OD2-NH2 3.47Å; D489-R491 PolarHBondContact OD2-NH2 3.01Å
492	S	96.2	Very high	95.5	Very high	52 Å²	52	48.6 Å²	48.6	36%	0.364	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-8.4	179.1	58.6	0	0	0	0	113.6	D489 Q494	D489-S492 PolarHBondContact O-N 3.07Å; S492-Q494 PolarHBondContact O-N 3.42Å; S492-Q494 WeakPolarHBondContact OG-CG 3.5Å
493	F	95.7	Very high	95.5	Very high	33 Å²	33	48.9 Å²	48.9	15%	0.145	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	41.1	-172.4	-57.6	-92.9	0	0	0	111.7	R91 Y93 H102 L465 F488 D489	R91-F493 HydrophobicContact CB-CD1 3.95Å; R91-F493 HydrophobicContact CB-CE1 3.63Å; R91-F493 HydrophobicContact CB-CZ 4.24Å; R91-F493 HydrophobicContact CG-CD1 3.66Å; R91-F493 HydrophobicContact CG-CE1 3.84Å; R91-F493 HydrophobicContact CG-CG 4.15Å; R91-F493 HydrophobicContact CG-CZ 4.44Å; Y93-F493 AromaticContact CE2-CD1 3.94Å; Y93-F493 HydrophobicContact CE2-CD1 3.94Å; Y93-F493 HydrophobicContact CE2-CE1 4.14Å; H102-F493 AromaticContact CE1-CZ 3.78Å; H102-F493 AromaticContact NE2-CE1 3.8Å; H102-F493 AromaticContact NE2-CZ 3.41Å; H102-F493 WeakPolarHBondContact NE2-CZ 3.43Å; L465-F493 HydrophobicContact CD1-CE1 3.87Å; L465-F493 HydrophobicContact CD1-CZ 4.45Å; L465-F493 HydrophobicContact CD2-CE1 4.13Å; L465-F493 HydrophobicContact CD2-CZ 4Å; F488-F493 HydrophobicContact CZ-CD1 4.3Å; D489-F493 WeakPolarHBondContact O-CA 3.37Å; D489-F493 PolarHBondContact O-N 2.85Å
494	Q	93.8	Very high	95.5	Very high	122 Å²	122	49 Å²	49	57%	0.57	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.3	137.7	-177.6	-66.2	-59.9	-48.1	0	0	110.2	D489 S492	D489-Q494 PolarHBondContact N-O 2.69Å; D489-Q494 PolarHBondContact O-N 3.18Å; S492-Q494 PolarHBondContact O-N 3.42Å; S492-Q494 WeakPolarHBondContact OG-CG 3.5Å
495	V	93.7	Very high	95.4	Very high	31 Å²	31	48.8 Å²	48.8	19%	0.188	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	131	174.3	-173	0	0	0	0	108.8	Y473 L486 G487 F488 L497 L540	Y473-V495 HydrophobicContact CE2-CB 4.38Å; Y473-V495 HydrophobicContact CE2-CG1 3.9Å; Y473-V495 HydrophobicContact CE2-CG2 3.51Å; Y473-V495 WeakPolarHBondContact OH-CG2 3.48Å; L486-V495 HydrophobicContact CB-CG1 3.62Å; L486-V495 HydrophobicContact CD1-CG1 3.69Å; L486-V495 HydrophobicContact CG-CG1 4.31Å; G487-V495 CarbonylContact O-C 3.55Å; G487-V495 WeakPolarHBondContact O-CA 3.38Å; F488-V495 HydrophobicContact CD2-CG2 3.93Å; F488-V495 HydrophobicContact CE2-CG2 4.37Å; V495-L497 HydrophobicContact CB-CD2 4.2Å; V495-L497 HydrophobicContact CG1-CD2 3.75Å; V495-L497 PolarHBondContact O-N 3.26Å; V495-L540 HydrophobicContact CG2-CD2 4.26Å
496	N	91.6	Very high	95.3	Very high	81 Å²	81	48.8 Å²	48.8	43%	0.433	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	100.8	172.5	-173.8	-8.6	0	0	0	110.4	G487 S498 D499	G487-N496 PolarHBondContact O-N 2.8Å; N496-S498 PolarHBondContact O-N 2.76Å; N496-S498 PolarHBondContact OD1-N 3.43Å; N496-S498 VanDerWaalsContact OD1-N 3.14Å; N496-D499 HydrophobicContact CB-CB 3.86Å; N496-D499 WeakPolarHBondContact ND2-CB 3.47Å; N496-D499 PolarHBondContact O-N 2.84Å; N496-D499 VanDerWaalsContact O-N 3.14Å; N496-D499 PolarHBondContact OD1-N 3.49Å
497	L	86.9	Confident	95.1	Very high	64 Å²	64	50.4 Å²	50.4	34%	0.335	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	-13	-176	-52.6	-173.9	0	0	0	114.5	L486 V495 L540	L486-L497 HydrophobicContact CD1-CD2 3.85Å; V495-L497 HydrophobicContact CB-CD2 4.2Å; V495-L497 HydrophobicContact CG1-CD2 3.75Å; V495-L497 PolarHBondContact O-N 3.26Å; L497-L540 HydrophobicContact CD2-CD1 3.44Å; L497-L540 VanDerWaalsContact CD2-CD1 3.44Å
498	S	87.5	Confident	94.8	Very high	115 Å²	115	51 Å²	51	80%	0.804	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	-12.3	174.9	-62.2	0	0	0	0	112.6	N496 V500	N496-S498 PolarHBondContact O-N 2.76Å; N496-S498 PolarHBondContact OD1-N 3.43Å; N496-S498 VanDerWaalsContact OD1-N 3.14Å; S498-V500 PolarHBondContact O-N 3.42Å
499	D	92.8	Very high	94.4	Very high	72 Å²	72	54.7 Å²	54.7	39%	0.385	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	77.7	-180	-168.9	19.6	0	0	0	109.7	L486 G487 N496 H501	L486-D499 CarbonylContact C-O 3.27Å; L486-D499 WeakPolarHBondContact CA-O 3.37Å; G487-D499 PolarHBondContact N-O 3.41Å; N496-D499 HydrophobicContact CB-CB 3.86Å; N496-D499 WeakPolarHBondContact ND2-CB 3.47Å; N496-D499 PolarHBondContact O-N 2.84Å; N496-D499 VanDerWaalsContact O-N 3.14Å; N496-D499 PolarHBondContact OD1-N 3.49Å; D499-H501 PolarHBondContact O-CD2 2.96Å; D499-H501 IonicContact OD1-NE2 3.72Å; D499-H501 IonicContact OD2-NE2 3.98Å
500	V	94.8	Very high	94.1	Very high	68 Å²	68	57.8 Å²	57.8	41%	0.412	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	112.6	-178.6	-174.2	0	0	0	0	109.5	L484 L486 S498	L484-V500 HydrophobicContact CD2-CG1 4.36Å; L486-V500 HydrophobicContact CD2-CB 4.32Å; L486-V500 HydrophobicContact CD2-CG1 4.45Å; L486-V500 HydrophobicContact CD2-CG2 3.75Å; S498-V500 PolarHBondContact O-N 3.42Å
501	H	97.4	Very high	94	Very high	62 Å²	62	57.4 Å²	57.4	29%	0.287	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	-43.3	179.5	-69.6	-114.6	0	0	0	111.9	D454 V470 W485 D499	D454-H501 VanDerWaalsContact CG-ND1 3.3Å; D454-H501 WeakPolarHBondContact OD1-CB 3.35Å; D454-H501 IonicContact OD1-CE1 3.82Å; D454-H501 IonicContact OD1-CG 2.74Å; D454-H501 IonicContact OD1-ND1 3.61Å; D454-H501 PolarHBondContact OD1-ND1 2.96Å; D454-H501 IonicContact OD2-CE1 2.94Å; D454-H501 IonicContact OD2-ND1 3.19Å; D454-H501 PolarHBondContact OD2-ND1 3.17Å; D454-H501 VanDerWaalsContact OD2-ND1 3.15Å; V470-H501 HydrophobicContact CG1-CB 4.37Å; V470-H501 VanDerWaalsContact CG2-CE1 3.5Å; V470-H501 WeakPolarHBondContact CG2-CE1 3.25Å; W485-H501 HydrophobicContact CB-CB 4.17Å; W485-H501 WeakPolarHBondContact O-CB 3.39Å; W485-H501 PolarHBondContact O-N 2.79Å; D499-H501 PolarHBondContact O-CD2 2.96Å; D499-H501 IonicContact OD1-NE2 3.72Å; D499-H501 IonicContact OD2-NE2 3.98Å
502	A	97.5	Very high	93.9	Very high	18 Å²	18	51 Å²	51	15%	0.149	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	165.7	178.4	0	0	0	0	0	111.3	P250 V252 W485	P250-A502 HydrophobicContact CB-CB 3.56Å; P250-A502 HydrophobicContact CG-CB 3.92Å; V252-A502 HydrophobicContact CG1-CB 3.68Å; W485-A502 HydrophobicContact CB-CB 4.24Å; W485-A502 HydrophobicContact CG-CB 4.36Å; W485-A502 PolarHBondContact N-O 2.74Å
503	G	96.3	Very high	93.9	Very high	6 Å²	6	52.8 Å²	52.8	6%	0.062	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	153.2	171.4	0	0	0	0	0	112.3	T483 N517 Y519	T483-G503 CarbonylContact O-C 3.57Å; T483-G503 VanDerWaalsContact O-CA 3.28Å; T483-G503 WeakPolarHBondContact O-CA 3.39Å; G503-N517 PolarHBondContact O-ND2 3.05Å; G503-N517 VanDerWaalsContact O-ND2 3.15Å; G503-Y519 VanDerWaalsContact C-CG 3.42Å; G503-Y519 WeakPolarHBondContact O-CB 3.36Å
504	E	98	Very high	94	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.009	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	136.9	178.1	-58.4	160.9	81.6	0	0	109.3	P250 R481 Y482 T483 W485 Y506 N517	P250-E504 HydrophobicContact CG-CG 3.87Å; R481-E504 IonicContact NH1-OE1 3.19Å; Y482-E504 WeakPolarHBondContact CA-O 3.18Å; T483-E504 WeakPolarHBondContact CB-OE2 2.81Å; T483-E504 WeakPolarHBondContact CG2-OE2 3.43Å; T483-E504 PolarHBondContact N-O 2.88Å; T483-E504 PolarHBondContact O-N 3.19Å; W485-E504 PolarHBondContact NE1-OE2 2.86Å; E504-Y506 HydrophobicContact CB-CD2 4.42Å; E504-Y506 HydrophobicContact CB-CE2 3.73Å; E504-Y506 HydrophobicContact CG-CE2 4.3Å; E504-Y506 PolarHBondContact OE1-OH 3.47Å; E504-N517 WeakPolarHBondContact CA-OD1 3.46Å
505	L	96.9	Very high	94.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	120.3	168.4	177.7	62.8	0	0	0	108.4	Y480 R481 Y482 N517 V518 L522 L548	Y480-L505 HydrophobicContact CD1-CD1 4.14Å; Y480-L505 HydrophobicContact CG-CD1 4.32Å; R481-L505 WeakPolarHBondContact O-CA 3.43Å; Y482-L505 HydrophobicContact CD2-CB 4.16Å; Y482-L505 HydrophobicContact CD2-CD1 4Å; L505-N517 PolarHBondContact N-OD1 2.97Å; L505-V518 HydrophobicContact CB-CG2 4.02Å; L505-V518 HydrophobicContact CD2-CG2 3.89Å; L505-V518 HydrophobicContact CG-CG2 3.82Å; L505-V518 VanDerWaalsContact O-CG2 3.25Å; L505-V518 WeakPolarHBondContact O-CG2 3.3Å; L505-V518 PolarHBondContact O-N 3.23Å; L505-L522 HydrophobicContact CB-CD1 4.44Å; L505-L522 HydrophobicContact CD2-CD1 3.55Å; L505-L522 HydrophobicContact CD2-CD2 4.24Å; L505-L522 HydrophobicContact CD2-CG 4.4Å; L505-L548 HydrophobicContact CD1-CD1 4.02Å
506	Y	95.9	Very high	94.3	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	136.9	175.4	-56	-74.7	0	0	0	109.4	F341 Y480 R481 E504 E514 N517	F341-Y506 HydrophobicContact CD1-CE2 4.5Å; F341-Y506 AromaticContact CE1-CE2 3.92Å; F341-Y506 HydrophobicContact CE1-CE2 3.92Å; F341-Y506 AromaticContact CE1-CZ 3.76Å; Y480-Y506 VanDerWaalsContact CA-O 3.32Å; Y480-Y506 WeakPolarHBondContact CA-O 3.28Å; R481-Y506 HydrophobicContact CB-CD2 4.34Å; R481-Y506 PolarHBondContact N-O 3.04Å; R481-Y506 VanDerWaalsContact N-O 3.14Å; R481-Y506 PolarHBondContact O-N 3.2Å; E504-Y506 HydrophobicContact CB-CD2 4.42Å; E504-Y506 HydrophobicContact CB-CE2 3.73Å; E504-Y506 HydrophobicContact CG-CE2 4.3Å; E504-Y506 PolarHBondContact OE1-OH 3.47Å; Y506-E514 HydrophobicContact CD1-CB 3.83Å; Y506-E514 WeakPolarHBondContact CD1-O 3.2Å; Y506-E514 HydrophobicContact CD2-CB 4.08Å; Y506-E514 HydrophobicContact CE1-CB 4.17Å; Y506-E514 WeakPolarHBondContact CE1-O 3.28Å; Y506-E514 HydrophobicContact CE2-CB 4.42Å; Y506-E514 HydrophobicContact CG-CB 3.76Å; Y506-E514 HydrophobicContact CG-CG 4.32Å; Y506-N517 HydrophobicContact CE1-CB 3.82Å
507	I	93.8	Very high	94.5	Very high	36 Å²	36	48.1 Å²	48.1	19%	0.185	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	97.3	-178.8	-53	178.5	0	0	0	108.4	Y480 S509 V510 D511 V518 L555	Y480-I507 HydrophobicContact CD1-CB 4.36Å; Y480-I507 HydrophobicContact CD1-CG1 3.99Å; Y480-I507 HydrophobicContact CD1-CG2 4.26Å; Y480-I507 HydrophobicContact CE1-CB 4.41Å; Y480-I507 HydrophobicContact CE1-CD1 4.46Å; Y480-I507 HydrophobicContact CE1-CG1 3.97Å; Y480-I507 HydrophobicContact CE1-CG2 3.95Å; I507-S509 PolarHBondContact O-N 3.02Å; I507-S509 VanDerWaalsContact O-N 3.09Å; I507-V510 HydrophobicContact CB-CG2 3.98Å; I507-V510 HydrophobicContact CG2-CG2 4.01Å; I507-V510 WeakPolarHBondContact O-CG2 3.37Å; I507-V510 PolarHBondContact O-N 3.09Å; I507-D511 PolarHBondContact O-N 2.87Å; I507-V518 HydrophobicContact CD1-CG2 4.14Å; I507-V518 HydrophobicContact CG1-CG2 4.17Å; I507-L555 HydrophobicContact CD1-CD1 4.24Å
508	L	92.4	Very high	94.9	Very high	18 Å²	18	46.3 Å²	46.3	9%	0.094	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-18.6	-162.8	-56.3	170.8	0	0	0	114.4	R476 I479 V510 P512 E514	R476-L508 VanDerWaalsContact NE-CD1 3.28Å; R476-L508 VanDerWaalsContact NH1-CD1 3.31Å; I479-L508 PolarHBondContact O-N 2.91Å; L508-V510 VanDerWaalsContact C-N 3.27Å; L508-V510 PolarHBondContact O-N 2.9Å; L508-P512 WeakPolarHBondContact O-CB 3.45Å; L508-E514 HydrophobicContact CD2-CG 3.97Å
509	S	88.6	Confident	95.1	Very high	89 Å²	89	42.3 Å²	42.3	62%	0.622	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-20.8	175.1	60.6	0	0	0	0	113.5	I507	I507-S509 PolarHBondContact O-N 3.02Å; I507-S509 VanDerWaalsContact O-N 3.09Å
510	V	92.2	Very high	94.8	Very high	116 Å²	116	47.2 Å²	47.2	70%	0.703	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.1	-16.8	-179.2	-62.3	0	0	0	0	113.1	I507 L508	I507-V510 HydrophobicContact CB-CG2 3.98Å; I507-V510 HydrophobicContact CG2-CG2 4.01Å; I507-V510 WeakPolarHBondContact O-CG2 3.37Å; I507-V510 PolarHBondContact O-N 3.09Å; L508-V510 VanDerWaalsContact C-N 3.27Å; L508-V510 PolarHBondContact O-N 2.9Å
511	D	94.8	Very high	94.3	Very high	13 Å²	13	50.9 Å²	50.9	7%	0.07	27%	0.265	C	S	.	.			trans	-137.7	66.7	179.8	179.1	30	0	0	0	109	I507 E513 E514 D515 E516	I507-D511 PolarHBondContact O-N 2.87Å; D511-E513 PolarHBondContact O-N 2.87Å; D511-E514 PolarHBondContact O-N 3.45Å; D511-E514 PolarHBondContact OD1-N 2.99Å; D511-D515 PolarHBondContact OD1-N 3.16Å; D511-D515 PolarHBondContact OD2-N 2.87Å; D511-E516 PolarHBondContact OD2-N 3.14Å
512	P	94.7	Very high	93.4	Very high	74 Å²	74	49.2 Å²	49.2	48%	0.481	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-21.7	-179.4	25.2	-28.3	0	0	0	113.1	L508	L508-P512 WeakPolarHBondContact O-CB 3.45Å
513	E	96.5	Very high	92.4	Very high	89 Å²	89	53.5 Å²	53.5	42%	0.416	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-13.6	174.4	-65.2	74.7	-159.4	0	0	113.3	H332 D511	H332-E513 PolarHBondContact CE1-O 3.34Å; H332-E513 PolarHBondContact NE2-O 3.11Å; D511-E513 PolarHBondContact O-N 2.87Å
514	E	97.8	Very high	91.5	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.009	29%	0.288	C	S	.	.			trans	68	37.8	178.8	-43	-165.8	103.8	0	0	114.2	H332 F341 D342 R481 Y506 L508 D511	H332-E514 PolarHBondContact NE2-O 3.01Å; F341-E514 HydrophobicContact CD1-CB 3.92Å; F341-E514 WeakPolarHBondContact CD1-OE2 3.3Å; F341-E514 HydrophobicContact CE1-CB 3.91Å; D342-E514 WeakPolarHBondContact CB-OE2 3.37Å; D342-E514 PolarHBondContact N-OE2 3.01Å; R481-E514 WeakPolarHBondContact CB-OE1 3.49Å; R481-E514 WeakPolarHBondContact CD-OE1 3.41Å; Y506-E514 HydrophobicContact CD1-CB 3.83Å; Y506-E514 WeakPolarHBondContact CD1-O 3.2Å; Y506-E514 HydrophobicContact CD2-CB 4.08Å; Y506-E514 HydrophobicContact CE1-CB 4.17Å; Y506-E514 WeakPolarHBondContact CE1-O 3.28Å; Y506-E514 HydrophobicContact CE2-CB 4.42Å; Y506-E514 HydrophobicContact CG-CB 3.76Å; Y506-E514 HydrophobicContact CG-CG 4.32Å; L508-E514 HydrophobicContact CD2-CG 3.97Å; D511-E514 PolarHBondContact O-N 3.45Å; D511-E514 PolarHBondContact OD1-N 2.99Å
515	D	97.3	Very high	90.3	Very high	49 Å²	49	61.3 Å²	61.3	26%	0.262	32%	0.318	S	S	.	.			trans	-85.7	-29.2	-178	-75.5	-39.2	0	0	0	113.3	D242 P246 H332 D511	D242-D515 WeakPolarHBondContact CB-OD1 3.38Å; P246-D515 WeakPolarHBondContact CB-O 3.41Å; H332-D515 IonicContact CD2-OD1 3.27Å; H332-D515 PolarHBondContact CD2-OD1 3.15Å; H332-D515 VanDerWaalsContact CD2-OD1 3.25Å; H332-D515 IonicContact NE2-OD1 2.94Å; H332-D515 PolarHBondContact NE2-OD1 2.93Å; D511-D515 PolarHBondContact OD1-N 3.16Å; D511-D515 PolarHBondContact OD2-N 2.87Å
516	E	96.1	Very high	88.9	Confident	109 Å²	109	66.1 Å²	66.1	51%	0.509	34%	0.341	S	S	.	.			trans	-112.6	80.7	-166.7	-75.5	-70.1	166.9	0	0	112	D511 V518	D511-E516 PolarHBondContact OD2-N 3.14Å; E516-V518 WeakPolarHBondContact O-CG1 3.13Å; E516-V518 PolarHBondContact O-N 3.12Å
517	N	97	Very high	88	Confident	8 Å²	8	66.4 Å²	66.4	4%	0.043	34%	0.343	C	S	.	.			trans	-61.5	111	176.3	-179.3	6.6	0	0	0	112	L248 G503 E504 L505 Y506 Y519	L248-N517 HydrophobicContact CB-CB 4.04Å; L248-N517 PolarHBondContact O-ND2 3.42Å; L248-N517 VanDerWaalsContact O-ND2 3.15Å; G503-N517 PolarHBondContact O-ND2 3.05Å; G503-N517 VanDerWaalsContact O-ND2 3.15Å; E504-N517 WeakPolarHBondContact CA-OD1 3.46Å; L505-N517 PolarHBondContact N-OD1 2.97Å; Y506-N517 HydrophobicContact CE1-CB 3.82Å; N517-Y519 WeakPolarHBondContact OD1-CB 2.92Å; N517-Y519 PolarHBondContact OD1-N 3.49Å
518	V	94.4	Very high	86.9	Confident	27 Å²	27	69.1 Å²	69.1	16%	0.164	36%	0.361	C	S	.	.			trans	-95	2.4	179.8	-60.8	0	0	0	0	114.3	L505 I507 E516 K520 K521	L505-V518 HydrophobicContact CB-CG2 4.02Å; L505-V518 HydrophobicContact CD2-CG2 3.89Å; L505-V518 HydrophobicContact CG-CG2 3.82Å; L505-V518 VanDerWaalsContact O-CG2 3.25Å; L505-V518 WeakPolarHBondContact O-CG2 3.3Å; L505-V518 PolarHBondContact O-N 3.23Å; I507-V518 HydrophobicContact CD1-CG2 4.14Å; I507-V518 HydrophobicContact CG1-CG2 4.17Å; E516-V518 WeakPolarHBondContact O-CG1 3.13Å; E516-V518 PolarHBondContact O-N 3.12Å; V518-K520 VanDerWaalsContact C-N 3.3Å; V518-K520 PolarHBondContact O-N 3.45Å; V518-K521 HydrophobicContact CB-CD 4.18Å; V518-K521 HydrophobicContact CG1-CD 4.1Å; V518-K521 WeakPolarHBondContact O-CB 3.28Å; V518-K521 PolarHBondContact O-N 3.25Å
519	Y	92	Very high	85.9	Confident	30 Å²	30	76.2 Å²	76.2	12%	0.118	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-53.4	-42.7	-175.1	-177.9	-93.9	0	0	0	113.7	Y482 L484 G503 N517 K521 L522 H524	Y482-Y519 HydrophobicContact CD2-CD2 4.5Å; Y482-Y519 AromaticContact CE2-CD2 3.8Å; Y482-Y519 HydrophobicContact CE2-CD2 3.8Å; Y482-Y519 AromaticContact CE2-CE2 3.7Å; Y482-Y519 HydrophobicContact CE2-CE2 3.7Å; L484-Y519 HydrophobicContact CD2-CE2 3.69Å; L484-Y519 WeakPolarHBondContact CD2-OH 3.38Å; G503-Y519 VanDerWaalsContact C-CG 3.42Å; G503-Y519 WeakPolarHBondContact O-CB 3.36Å; N517-Y519 WeakPolarHBondContact OD1-CB 2.92Å; N517-Y519 PolarHBondContact OD1-N 3.49Å; Y519-K521 PolarHBondContact O-N 3.33Å; Y519-L522 HydrophobicContact CD2-CD1 4.47Å; Y519-L522 WeakPolarHBondContact O-CB 3.4Å; Y519-L522 PolarHBondContact O-N 3.18Å; Y519-H524 AromaticContact CE1-CE1 3.58Å; Y519-H524 AromaticContact CE1-NE2 3.77Å; Y519-H524 AromaticContact CE2-CE1 3.66Å; Y519-H524 AromaticContact CZ-CE1 3.34Å; Y519-H524 PolarHBondContact O-NE2 2.97Å
520	K	86.5	Confident	85.1	Confident	175 Å²	175	76.3 Å²	76.3	76%	0.761	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-69.7	-18.4	179.5	-70.6	-174.5	178.5	176.4	0	113.9	V518 L522	V518-K520 VanDerWaalsContact C-N 3.3Å; V518-K520 PolarHBondContact O-N 3.45Å; K520-L522 VanDerWaalsContact C-N 3.25Å; K520-L522 PolarHBondContact O-N 3.41Å
521	K	83.9	Confident	84.2	Confident	145 Å²	145	72 Å²	72	63%	0.63	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-78.9	-10.9	178.7	-59	175.9	-176.3	165.3	0	112	V518 Y519	V518-K521 HydrophobicContact CB-CD 4.18Å; V518-K521 HydrophobicContact CG1-CD 4.1Å; V518-K521 WeakPolarHBondContact O-CB 3.28Å; V518-K521 PolarHBondContact O-N 3.25Å; Y519-K521 PolarHBondContact O-N 3.33Å
522	L	79.9	Confident	83.1	Confident	28 Å²	28	75.6 Å²	75.6	15%	0.147	39%	0.385	C	S	.	.	S	Bend	trans	-86.2	151.4	-174.6	-55.2	164.9	0	0	0	112.5	L505 Y519 K520 H524 H551	L505-L522 HydrophobicContact CB-CD1 4.44Å; L505-L522 HydrophobicContact CD2-CD1 3.55Å; L505-L522 HydrophobicContact CD2-CD2 4.24Å; L505-L522 HydrophobicContact CD2-CG 4.4Å; Y519-L522 HydrophobicContact CD2-CD1 4.47Å; Y519-L522 WeakPolarHBondContact O-CB 3.4Å; Y519-L522 PolarHBondContact O-N 3.18Å; K520-L522 VanDerWaalsContact C-N 3.25Å; K520-L522 PolarHBondContact O-N 3.41Å; L522-H524 PolarHBondContact O-CD2 3.29Å; L522-H524 PolarHBondContact O-N 2.77Å; L522-H524 PolarHBondContact O-NE2 3.42Å; L522-H551 HydrophobicContact CD1-CB 3.89Å; L522-H551 HydrophobicContact CD2-CB 4.39Å
523	N	74.7	Confident	82.1	Confident	108 Å²	108	75.8 Å²	75.8	58%	0.578	39%	0.388	S	S	*	.			trans	-85.2	105.4	172.9	-174.9	-8	0	0	0	111	N525	N523-N525 WeakPolarHBondContact OD1-CB 3.35Å; N523-N525 PolarHBondContact OD1-N 3.13Å; N523-N525 VanDerWaalsContact OD1-N 3.1Å
524	H	79	Confident	81.2	Confident	53 Å²	53	73.2 Å²	73.2	25%	0.245	38%	0.377	C	S	.	.	H	α-helix	trans	-81.5	-17.5	-178	-64.2	-72.5	0	0	0	113.9	Y519 L522 M526 V527 T528 H551	Y519-H524 AromaticContact CE1-CE1 3.58Å; Y519-H524 AromaticContact CE1-NE2 3.77Å; Y519-H524 AromaticContact CE2-CE1 3.66Å; Y519-H524 AromaticContact CZ-CE1 3.34Å; Y519-H524 PolarHBondContact O-NE2 2.97Å; L522-H524 PolarHBondContact O-CD2 3.29Å; L522-H524 PolarHBondContact O-N 2.77Å; L522-H524 PolarHBondContact O-NE2 3.42Å; H524-M526 VanDerWaalsContact C-N 3.31Å; H524-M526 PolarHBondContact O-N 2.94Å; H524-V527 WeakPolarHBondContact O-CB 3.46Å; H524-V527 PolarHBondContact O-N 3.27Å; H524-V527 VanDerWaalsContact O-N 3.13Å; H524-T528 PolarHBondContact O-N 2.86Å; H524-T528 PolarHBondContact O-OG1 3.12Å; H524-T528 VanDerWaalsContact O-OG1 3.05Å; H524-H551 AromaticContact CE1-CE1 3.38Å; H524-H551 PolarHBondContact CE1-CE1 3.22Å; H524-H551 AromaticContact CE1-NE2 3.77Å; H524-H551 AromaticContact ND1-CE1 3.15Å; H524-H551 PolarHBondContact ND1-CE1 3.21Å; H524-H551 AromaticContact ND1-NE2 3.63Å
525	N	71.8	Confident	80.3	Confident	119 Å²	119	76.3 Å²	76.3	64%	0.636	40%	0.397	S	S	*	.	H	α-helix	trans	-61.5	-37.4	-174.1	-70.9	-30.4	0	0	0	113.3	N523 K529	N523-N525 WeakPolarHBondContact OD1-CB 3.35Å; N523-N525 PolarHBondContact OD1-N 3.13Å; N523-N525 VanDerWaalsContact OD1-N 3.1Å; N525-K529 WeakPolarHBondContact O-CG 3.43Å; N525-K529 PolarHBondContact O-N 2.98Å
526	M	68.1	Low	79	Confident	100 Å²	100	80 Å²	80	49%	0.493	42%	0.424	S	S	.	.	H	α-helix	trans	-72.3	-37.7	178.9	-172.6	173.6	62.8	0	0	111.6	H524 K529 K530 Y550	H524-M526 VanDerWaalsContact C-N 3.31Å; H524-M526 PolarHBondContact O-N 2.94Å; M526-K529 PolarHBondContact O-N 3.28Å; M526-K530 PolarHBondContact O-N 3.38Å; M526-K530 VanDerWaalsContact O-N 3.13Å; M526-Y550 HydrophobicContact CE-CD1 3.8Å
527	V	76.1	Confident	77.9	Confident	6 Å²	6	81.4 Å²	81.4	4%	0.036	44%	0.435	C	S	.	.	H	α-helix	trans	-63	-50.2	176.9	-179.6	0	0	0	0	110.1	H524 K529 K530 M531 Q547 Y550	H524-V527 WeakPolarHBondContact O-CB 3.46Å; H524-V527 PolarHBondContact O-N 3.27Å; H524-V527 VanDerWaalsContact O-N 3.13Å; V527-K529 VanDerWaalsContact C-N 3.32Å; V527-K529 PolarHBondContact O-N 3.35Å; V527-K530 PolarHBondContact O-N 3.15Å; V527-K530 VanDerWaalsContact O-N 3.09Å; V527-M531 HydrophobicContact CG1-CG 4.05Å; V527-M531 VanDerWaalsContact O-CG 3.28Å; V527-M531 WeakPolarHBondContact O-CG 3.47Å; V527-M531 PolarHBondContact O-N 3.41Å; V527-Q547 HydrophobicContact CG1-CB 3.89Å; V527-Q547 HydrophobicContact CG1-CG 3.5Å; V527-Y550 HydrophobicContact CG2-CG 4.5Å
528	T	72	Confident	77	Confident	93 Å²	93	82.4 Å²	82.4	57%	0.571	44%	0.441	S	S	*	.	H	α-helix	trans	-55.5	-45.5	178.2	-51.2	0	0	0	0	112	H524 K530 M531 A532	H524-T528 PolarHBondContact O-N 2.86Å; H524-T528 PolarHBondContact O-OG1 3.12Å; H524-T528 VanDerWaalsContact O-OG1 3.05Å; T528-K530 PolarHBondContact O-N 3.39Å; T528-M531 PolarHBondContact O-N 3.32Å; T528-A532 PolarHBondContact O-N 2.87Å; T528-A532 VanDerWaalsContact O-N 3.13Å
529	K	70.8	Confident	76.4	Confident	167 Å²	167	83.4 Å²	83.4	73%	0.726	45%	0.449	S	S	*	.	H	α-helix	trans	-60.8	-41.3	177.5	-75.6	179.3	-178.7	-177.5	0	112.7	N525 M526 V527	N525-K529 WeakPolarHBondContact O-CG 3.43Å; N525-K529 PolarHBondContact O-N 2.98Å; M526-K529 PolarHBondContact O-N 3.28Å; V527-K529 VanDerWaalsContact C-N 3.32Å; V527-K529 PolarHBondContact O-N 3.35Å
530	K	71.1	Confident	76	Confident	92 Å²	92	83.6 Å²	83.6	40%	0.4	45%	0.452	S	S	.	.	H	α-helix	trans	-73.6	-40.2	179.3	-166.8	75.3	175.1	177.4	0	111.9	M526 V527 T528 A532 S533 Y550	M526-K530 PolarHBondContact O-N 3.38Å; M526-K530 VanDerWaalsContact O-N 3.13Å; V527-K530 PolarHBondContact O-N 3.15Å; V527-K530 VanDerWaalsContact O-N 3.09Å; T528-K530 PolarHBondContact O-N 3.39Å; K530-A532 PolarHBondContact O-N 3.49Å; K530-S533 WeakPolarHBondContact O-CB 3.28Å; K530-S533 PolarHBondContact O-N 3.18Å; K530-S533 PolarHBondContact O-OG 3.25Å; K530-Y550 HydrophobicContact CB-CE2 3.9Å; K530-Y550 HydrophobicContact CD-CE2 4.42Å; K530-Y550 VanDerWaalsContact CD-OH 3.24Å; K530-Y550 WeakPolarHBondContact CD-OH 3.35Å; K530-Y550 WeakPolarHBondContact CE-OH 3.45Å; K530-Y550 HydrophobicContact CG-CE2 3.55Å; K530-Y550 VanDerWaalsContact CG-OH 3.31Å; K530-Y550 WeakPolarHBondContact CG-OH 3.45Å
531	M	73.8	Confident	75.9	Confident	24 Å²	24	78 Å²	78	12%	0.118	43%	0.429	C	S	.	.	H	α-helix	trans	-59.8	-36.8	178.3	-69.4	-58.6	106.6	0	0	112.1	V527 T528 S533 L534 R543 L546 Q547	V527-M531 HydrophobicContact CG1-CG 4.05Å; V527-M531 VanDerWaalsContact O-CG 3.28Å; V527-M531 WeakPolarHBondContact O-CG 3.47Å; V527-M531 PolarHBondContact O-N 3.41Å; T528-M531 PolarHBondContact O-N 3.32Å; M531-S533 PolarHBondContact O-N 2.96Å; M531-L534 HydrophobicContact CE-CD1 3.66Å; M531-L534 PolarHBondContact O-N 3.38Å; M531-L534 HydrophobicContact SD-CD1 3.7Å; M531-R543 HydrophobicContact SD-CB 4.3Å; M531-L546 HydrophobicContact CE-CB 3.78Å; M531-Q547 HydrophobicContact CE-CG 3.87Å; M531-Q547 HydrophobicContact CG-CG 3.99Å; M531-Q547 HydrophobicContact SD-CG 3.54Å; M531-Q547 VanDerWaalsContact SD-CG 3.54Å; M531-Q547 PolarHBondContact SD-NE2 3.13Å
532	A	72.4	Confident	75.8	Confident	89 Å²	89	73.8 Å²	73.8	74%	0.736	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-19.2	174.8	0	0	0	0	0	114.1	T528 K530	T528-A532 PolarHBondContact O-N 2.87Å; T528-A532 VanDerWaalsContact O-N 3.13Å; K530-A532 PolarHBondContact O-N 3.49Å
533	S	73.9	Confident	76	Confident	78 Å²	78	73.9 Å²	73.9	55%	0.545	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-6.7	178.5	71.2	0	0	0	0	114.2	K530 M531	K530-S533 WeakPolarHBondContact O-CB 3.28Å; K530-S533 PolarHBondContact O-N 3.18Å; K530-S533 PolarHBondContact O-OG 3.25Å; M531-S533 PolarHBondContact O-N 2.96Å
534	L	76.4	Confident	76.6	Confident	35 Å²	35	68.9 Å²	68.9	18%	0.183	39%	0.387	C	S	.	.	S	Bend	trans	-79.7	141.9	-179	-68.3	175.6	0	0	0	111.5	M531 R543 L546	M531-L534 HydrophobicContact CE-CD1 3.66Å; M531-L534 PolarHBondContact O-N 3.38Å; M531-L534 HydrophobicContact SD-CD1 3.7Å; L534-R543 HydrophobicContact CD1-CG 4.06Å; L534-L546 HydrophobicContact CD1-CD1 3.66Å; L534-L546 HydrophobicContact CD2-CD1 3.79Å; L534-L546 HydrophobicContact CG-CD1 4.38Å
535	P	79.4	Confident	76.9	Confident	68 Å²	68	70.4 Å²	70.4	44%	0.442	39%	0.39	S	S	.	.			trans	-51.1	140.5	172.3	-28.3	36.2	0	0	0	112	D537 T538 R543	P535-D537 WeakPolarHBondContact CB-OD1 3.39Å; P535-D537 PolarHBondContact O-N 3.42Å; P535-T538 WeakPolarHBondContact CD-OG1 3.3Å; P535-T538 WeakPolarHBondContact O-CB 3.09Å; P535-T538 PolarHBondContact O-N 3.18Å; P535-T538 PolarHBondContact O-OG1 2.68Å; P535-R543 PolarHBondContact O-NH2 3.47Å
536	P	70.8	Confident	77.4	Confident	126 Å²	126	67.5 Å²	67.5	82%	0.818	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-34.8	-178.6	-27	35	0	0	0	114	T538 R543	P536-T538 VanDerWaalsContact C-N 3.29Å; P536-T538 PolarHBondContact O-N 2.92Å; P536-R543 PolarHBondContact O-NH2 3.17Å
537	D	72.9	Confident	78.1	Confident	139 Å²	139	64.3 Å²	64.3	74%	0.743	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-2.8	-179.8	61.5	-25.7	0	0	0	114.7	P535 S539	P535-D537 WeakPolarHBondContact CB-OD1 3.39Å; P535-D537 PolarHBondContact O-N 3.42Å; D537-S539 PolarHBondContact O-N 2.96Å
538	T	77.4	Confident	78.4	Confident	28 Å²	28	64.5 Å²	64.5	17%	0.172	36%	0.359	C	S	.	.			trans	-60.2	124.3	175.5	-52.6	0	0	0	0	110.5	P535 P536 T542 R543	P535-T538 WeakPolarHBondContact CD-OG1 3.3Å; P535-T538 WeakPolarHBondContact O-CB 3.09Å; P535-T538 PolarHBondContact O-N 3.18Å; P535-T538 PolarHBondContact O-OG1 2.68Å; P536-T538 VanDerWaalsContact C-N 3.29Å; P536-T538 PolarHBondContact O-N 2.92Å; T538-T542 HydrophobicContact CG2-CG2 3.6Å; T538-R543 HydrophobicContact CG2-CG 3.87Å; T538-R543 PolarHBondContact O-NE 3.15Å
539	S	82.4	Confident	78.9	Confident	48 Å²	48	66.1 Å²	66.1	34%	0.336	36%	0.36	S	S	.	.			trans	-59.9	149.8	-178	73.3	0	0	0	0	113.1	D537 Q541 T542 R543	D537-S539 PolarHBondContact O-N 2.96Å; S539-Q541 VanDerWaalsContact C-N 3.29Å; S539-Q541 PolarHBondContact O-N 2.95Å; S539-T542 WeakPolarHBondContact O-CB 3.44Å; S539-T542 PolarHBondContact O-N 2.92Å; S539-T542 VanDerWaalsContact O-N 3.08Å; S539-T542 WeakPolarHBondContact OG-CB 3.41Å; S539-T542 PolarHBondContact OG-N 3.05Å; S539-T542 PolarHBondContact OG-OG1 3.32Å; S539-R543 WeakPolarHBondContact O-CG 3.18Å; S539-R543 PolarHBondContact O-N 3.03Å
540	L	83.7	Confident	79.4	Confident	34 Å²	34	61 Å²	61	18%	0.178	34%	0.336	C	S	.	.	H	α-helix	trans	-54.2	-46.3	178.6	175.7	53	0	0	0	112	Y473 L486 V495 L497 T542 R543 M544	Y473-L540 HydrophobicContact CD1-CD2 3.74Å; Y473-L540 HydrophobicContact CD2-CD2 3.67Å; Y473-L540 HydrophobicContact CE1-CD2 3.66Å; Y473-L540 HydrophobicContact CE2-CD2 3.57Å; Y473-L540 HydrophobicContact CG-CD2 3.74Å; L486-L540 HydrophobicContact CD1-CD1 4.19Å; V495-L540 HydrophobicContact CG2-CD2 4.26Å; L497-L540 HydrophobicContact CD2-CD1 3.44Å; L497-L540 VanDerWaalsContact CD2-CD1 3.44Å; L540-T542 VanDerWaalsContact C-N 3.3Å; L540-T542 PolarHBondContact O-N 3.11Å; L540-R543 PolarHBondContact O-N 2.88Å; L540-R543 VanDerWaalsContact O-N 3.17Å; L540-M544 HydrophobicContact CD1-CG 3.85Å; L540-M544 HydrophobicContact CD1-SD 3.93Å; L540-M544 HydrophobicContact CG-CG 4.42Å; L540-M544 HydrophobicContact CG-SD 4.04Å; L540-M544 WeakPolarHBondContact O-CG 3.36Å; L540-M544 PolarHBondContact O-N 3.06Å
541	Q	83.3	Confident	79.9	Confident	59 Å²	59	57.2 Å²	57.2	28%	0.276	32%	0.32	S	S	.	.	H	α-helix	trans	-57.3	-44	177.6	-65.5	-177.4	-2	0	0	111.8	F446 S539 R545	F446-Q541 HydrophobicContact CD1-CG 4.05Å; F446-Q541 HydrophobicContact CE1-CB 3.77Å; F446-Q541 HydrophobicContact CE1-CG 3.6Å; F446-Q541 HydrophobicContact CE2-CG 4.29Å; F446-Q541 HydrophobicContact CZ-CB 3.68Å; F446-Q541 HydrophobicContact CZ-CG 3.73Å; S539-Q541 VanDerWaalsContact C-N 3.29Å; S539-Q541 PolarHBondContact O-N 2.95Å; Q541-R545 WeakPolarHBondContact O-CB 3.25Å; Q541-R545 VanDerWaalsContact O-CG 3.25Å; Q541-R545 WeakPolarHBondContact O-CG 3.32Å; Q541-R545 PolarHBondContact O-N 3.03Å
542	T	83.1	Confident	80	Confident	55 Å²	55	57 Å²	57	34%	0.337	32%	0.32	S	S	.	.	H	α-helix	trans	-65.4	-43	177.5	-60.1	0	0	0	0	111.5	T538 S539 L540 R545 L546	T538-T542 HydrophobicContact CG2-CG2 3.6Å; S539-T542 WeakPolarHBondContact O-CB 3.44Å; S539-T542 PolarHBondContact O-N 2.92Å; S539-T542 VanDerWaalsContact O-N 3.08Å; S539-T542 WeakPolarHBondContact OG-CB 3.41Å; S539-T542 PolarHBondContact OG-N 3.05Å; S539-T542 PolarHBondContact OG-OG1 3.32Å; L540-T542 VanDerWaalsContact C-N 3.3Å; L540-T542 PolarHBondContact O-N 3.11Å; T542-R545 PolarHBondContact O-N 3.09Å; T542-L546 HydrophobicContact CG2-CD1 4.28Å; T542-L546 WeakPolarHBondContact O-CG 3.49Å; T542-L546 PolarHBondContact O-N 2.94Å
543	R	83.4	Confident	80.1	Confident	31 Å²	31	55.8 Å²	55.8	12%	0.117	31%	0.31	C	S	.	.	H	α-helix	trans	-60.7	-50.9	176.6	-68.2	175.9	-176.3	-86.9	3.1	111.2	M531 L534 P535 P536 T538 S539 L540 R545 L546 Q547	M531-R543 HydrophobicContact SD-CB 4.3Å; L534-R543 HydrophobicContact CD1-CG 4.06Å; P535-R543 PolarHBondContact O-NH2 3.47Å; P536-R543 PolarHBondContact O-NH2 3.17Å; T538-R543 HydrophobicContact CG2-CG 3.87Å; T538-R543 PolarHBondContact O-NE 3.15Å; S539-R543 WeakPolarHBondContact O-CG 3.18Å; S539-R543 PolarHBondContact O-N 3.03Å; L540-R543 PolarHBondContact O-N 2.88Å; L540-R543 VanDerWaalsContact O-N 3.17Å; R543-R545 VanDerWaalsContact C-N 3.34Å; R543-R545 PolarHBondContact O-N 2.63Å; R543-L546 WeakPolarHBondContact O-CB 3.36Å; R543-L546 PolarHBondContact O-N 3.47Å; R543-Q547 WeakPolarHBondContact O-CG 3.48Å; R543-Q547 PolarHBondContact O-N 2.85Å
544	M	87.4	Confident	79.4	Confident	3 Å²	3	55.7 Å²	55.7	2%	0.015	32%	0.321	C	S	.	.	H	α-helix	trans	-59.3	-44.5	178.5	-72	-179.1	75.1	0	0	111.7	Y473 M475 Y482 L484 L540 L546 Q547 L548	Y473-M544 VanDerWaalsContact CB-SD 3.58Å; Y473-M544 HydrophobicContact CG-SD 4.44Å; Y473-M544 WeakPolarHBondContact O-CE 3.19Å; M475-M544 HydrophobicContact CE-CB 3.72Å; M475-M544 WeakPolarHBondContact CE-O 3.41Å; M475-M544 HydrophobicContact CG-CB 4.36Å; M475-M544 HydrophobicContact CG-CE 4.11Å; M475-M544 HydrophobicContact SD-CB 3.61Å; Y482-M544 HydrophobicContact CD1-CE 4.35Å; L484-M544 HydrophobicContact CB-CE 4.5Å; L484-M544 HydrophobicContact CD1-CG 4.38Å; L540-M544 HydrophobicContact CD1-CG 3.85Å; L540-M544 HydrophobicContact CD1-SD 3.93Å; L540-M544 HydrophobicContact CG-CG 4.42Å; L540-M544 HydrophobicContact CG-SD 4.04Å; L540-M544 WeakPolarHBondContact O-CG 3.36Å; L540-M544 PolarHBondContact O-N 3.06Å; M544-L546 VanDerWaalsContact C-N 3.3Å; M544-L546 PolarHBondContact O-N 3.29Å; M544-Q547 PolarHBondContact O-N 3.13Å; M544-Q547 VanDerWaalsContact O-N 3.12Å; M544-L548 PolarHBondContact O-N 3.48Å
545	R	84.8	Confident	79	Confident	85 Å²	85	57.4 Å²	57.4	32%	0.321	33%	0.331	S	S	.	.	H	α-helix	trans	-54.7	-45.9	175	-80.1	178.3	-179.4	163.7	3.9	112.1	I444 M475 Q541 T542 R543 L548 H549	I444-R545 HydrophobicContact CD1-CG 3.68Å; M475-R545 HydrophobicContact SD-CB 4.41Å; M475-R545 HydrophobicContact SD-CG 3.71Å; Q541-R545 WeakPolarHBondContact O-CB 3.25Å; Q541-R545 VanDerWaalsContact O-CG 3.25Å; Q541-R545 WeakPolarHBondContact O-CG 3.32Å; Q541-R545 PolarHBondContact O-N 3.03Å; T542-R545 PolarHBondContact O-N 3.09Å; R543-R545 VanDerWaalsContact C-N 3.34Å; R543-R545 PolarHBondContact O-N 2.63Å; R545-L548 PolarHBondContact O-N 3.1Å; R545-H549 WeakPolarHBondContact O-CB 3.34Å; R545-H549 PolarHBondContact O-N 3.42Å
546	L	82.9	Confident	77.6	Confident	57 Å²	57	63.6 Å²	63.6	30%	0.298	35%	0.35	S	S	.	.	H	α-helix	trans	-63.5	-44	176.9	-70.9	169.2	0	0	0	111.4	M531 L534 T542 R543 M544 H549 Y550	M531-L546 HydrophobicContact CE-CB 3.78Å; L534-L546 HydrophobicContact CD1-CD1 3.66Å; L534-L546 HydrophobicContact CD2-CD1 3.79Å; L534-L546 HydrophobicContact CG-CD1 4.38Å; T542-L546 HydrophobicContact CG2-CD1 4.28Å; T542-L546 WeakPolarHBondContact O-CG 3.49Å; T542-L546 PolarHBondContact O-N 2.94Å; R543-L546 WeakPolarHBondContact O-CB 3.36Å; R543-L546 PolarHBondContact O-N 3.47Å; M544-L546 VanDerWaalsContact C-N 3.3Å; M544-L546 PolarHBondContact O-N 3.29Å; L546-H549 PolarHBondContact O-N 3.45Å; L546-Y550 WeakPolarHBondContact O-CD2 3.24Å; L546-Y550 PolarHBondContact O-N 3.31Å
547	Q	82.7	Confident	76.6	Confident	34 Å²	34	60.2 Å²	60.2	16%	0.159	33%	0.327	C	S	.	.	H	α-helix	trans	-60.4	-47.4	177	-62.7	-170.5	4.5	0	0	112	Y482 L484 V527 M531 R543 M544 H549 Y550 H551	Y482-Q547 PolarHBondContact OH-OE1 3.25Å; L484-Q547 VanDerWaalsContact CD1-OE1 3.26Å; V527-Q547 HydrophobicContact CG1-CB 3.89Å; V527-Q547 HydrophobicContact CG1-CG 3.5Å; M531-Q547 HydrophobicContact CE-CG 3.87Å; M531-Q547 HydrophobicContact CG-CG 3.99Å; M531-Q547 HydrophobicContact SD-CG 3.54Å; M531-Q547 VanDerWaalsContact SD-CG 3.54Å; M531-Q547 PolarHBondContact SD-NE2 3.13Å; R543-Q547 WeakPolarHBondContact O-CG 3.48Å; R543-Q547 PolarHBondContact O-N 2.85Å; M544-Q547 PolarHBondContact O-N 3.13Å; M544-Q547 VanDerWaalsContact O-N 3.12Å; Q547-H549 VanDerWaalsContact C-N 3.32Å; Q547-H549 PolarHBondContact O-N 3.09Å; Q547-Y550 PolarHBondContact O-N 3.05Å; Q547-Y550 VanDerWaalsContact O-N 3.17Å; Q547-H551 PolarHBondContact O-CD2 3.49Å; Q547-H551 PolarHBondContact O-N 2.99Å
548	L	82	Confident	75.1	Confident	9 Å²	9	61.2 Å²	61.2	5%	0.047	33%	0.333	C	S	.	.	H	α-helix	trans	-57.8	-45.7	175.2	176.6	59.8	0	0	0	111.2	M475 Y480 Y482 L505 M544 R545 Y550 H551 T552	M475-L548 HydrophobicContact CE-CB 3.54Å; M475-L548 HydrophobicContact CE-CD2 3.73Å; M475-L548 HydrophobicContact CE-CG 4.26Å; Y480-L548 HydrophobicContact CD2-CD1 4.28Å; Y480-L548 HydrophobicContact CG-CD1 4.31Å; Y482-L548 HydrophobicContact CD1-CB 4.41Å; Y482-L548 HydrophobicContact CD2-CD1 4.34Å; Y482-L548 HydrophobicContact CG-CD1 4.13Å; L505-L548 HydrophobicContact CD1-CD1 4.02Å; M544-L548 PolarHBondContact O-N 3.48Å; R545-L548 PolarHBondContact O-N 3.1Å; L548-Y550 VanDerWaalsContact C-N 3.31Å; L548-Y550 PolarHBondContact O-N 3.19Å; L548-H551 PolarHBondContact O-N 3.4Å; L548-T552 HydrophobicContact CD1-CG2 3.65Å; L548-T552 HydrophobicContact CG-CG2 4.37Å; L548-T552 WeakPolarHBondContact O-CB 3.31Å; L548-T552 VanDerWaalsContact O-CG2 3.3Å; L548-T552 WeakPolarHBondContact O-CG2 3.49Å; L548-T552 PolarHBondContact O-N 3.36Å; L548-T552 PolarHBondContact O-OG1 3.43Å
549	H	83.2	Confident	73.6	Confident	128 Å²	128	69.5 Å²	69.5	59%	0.593	36%	0.361	S	S	*	.	H	α-helix	trans	-58.9	-41.3	177	-171.4	70.5	0	0	0	112.2	R545 L546 Q547 T552 A553	R545-H549 WeakPolarHBondContact O-CB 3.34Å; R545-H549 PolarHBondContact O-N 3.42Å; L546-H549 PolarHBondContact O-N 3.45Å; Q547-H549 VanDerWaalsContact C-N 3.32Å; Q547-H549 PolarHBondContact O-N 3.09Å; H549-T552 PolarHBondContact O-N 3.49Å; H549-T552 PolarHBondContact O-OG1 3.04Å; H549-A553 WeakPolarHBondContact O-CB 3.39Å; H549-A553 PolarHBondContact O-N 2.92Å
550	Y	80.9	Confident	71.7	Confident	58 Å²	58	70 Å²	70	23%	0.227	37%	0.374	C	S	.	.	H	α-helix	trans	-67.2	-42.3	175.4	-82	-66.5	0	0	0	113.5	M526 V527 K530 L546 Q547 L548 T552 A553	M526-Y550 HydrophobicContact CE-CD1 3.8Å; V527-Y550 HydrophobicContact CG2-CG 4.5Å; K530-Y550 HydrophobicContact CB-CE2 3.9Å; K530-Y550 HydrophobicContact CD-CE2 4.42Å; K530-Y550 VanDerWaalsContact CD-OH 3.24Å; K530-Y550 WeakPolarHBondContact CD-OH 3.35Å; K530-Y550 WeakPolarHBondContact CE-OH 3.45Å; K530-Y550 HydrophobicContact CG-CE2 3.55Å; K530-Y550 VanDerWaalsContact CG-OH 3.31Å; K530-Y550 WeakPolarHBondContact CG-OH 3.45Å; L546-Y550 WeakPolarHBondContact O-CD2 3.24Å; L546-Y550 PolarHBondContact O-N 3.31Å; Q547-Y550 PolarHBondContact O-N 3.05Å; Q547-Y550 VanDerWaalsContact O-N 3.17Å; L548-Y550 VanDerWaalsContact C-N 3.31Å; L548-Y550 PolarHBondContact O-N 3.19Å; Y550-T552 PolarHBondContact O-N 3.32Å; Y550-A553 PolarHBondContact O-N 2.9Å
551	H	80	Confident	69.3	Low	13 Å²	13	78.2 Å²	78.2	6%	0.06	41%	0.408	C	S	.	.	H	α-helix	trans	-63.7	-30.6	177.5	-76.1	-43.2	0	0	0	112.8	Y482 L522 H524 Q547 L548	Y482-H551 AromaticContact CE2-CD2 3.67Å; Y482-H551 AromaticContact CZ-CD2 3.86Å; Y482-H551 PolarHBondContact OH-CD2 3.31Å; Y482-H551 PolarHBondContact OH-NE2 3Å; L522-H551 HydrophobicContact CD1-CB 3.89Å; L522-H551 HydrophobicContact CD2-CB 4.39Å; H524-H551 AromaticContact CE1-CE1 3.38Å; H524-H551 PolarHBondContact CE1-CE1 3.22Å; H524-H551 AromaticContact CE1-NE2 3.77Å; H524-H551 AromaticContact ND1-CE1 3.15Å; H524-H551 PolarHBondContact ND1-CE1 3.21Å; H524-H551 AromaticContact ND1-NE2 3.63Å; Q547-H551 PolarHBondContact O-CD2 3.49Å; Q547-H551 PolarHBondContact O-N 2.99Å; L548-H551 PolarHBondContact O-N 3.4Å
552	T	77.2	Confident	66.9	Low	20 Å²	20	86 Å²	86	12%	0.123	46%	0.459	C	S	.	.	H	α-helix	trans	-98.2	-8.9	-176.7	57.2	0	0	0	0	112.8	Y480 L548 H549 Y550 G554 L555	Y480-T552 HydrophobicContact CD1-CG2 4.19Å; Y480-T552 HydrophobicContact CD2-CG2 3.87Å; Y480-T552 HydrophobicContact CE1-CG2 3.8Å; Y480-T552 HydrophobicContact CE2-CG2 3.46Å; Y480-T552 VanDerWaalsContact CE2-CG2 3.46Å; Y480-T552 HydrophobicContact CG-CG2 4.22Å; Y480-T552 VanDerWaalsContact CZ-CG2 3.43Å; L548-T552 HydrophobicContact CD1-CG2 3.65Å; L548-T552 HydrophobicContact CG-CG2 4.37Å; L548-T552 WeakPolarHBondContact O-CB 3.31Å; L548-T552 VanDerWaalsContact O-CG2 3.3Å; L548-T552 WeakPolarHBondContact O-CG2 3.49Å; L548-T552 PolarHBondContact O-N 3.36Å; L548-T552 PolarHBondContact O-OG1 3.43Å; H549-T552 PolarHBondContact O-N 3.49Å; H549-T552 PolarHBondContact O-OG1 3.04Å; Y550-T552 PolarHBondContact O-N 3.32Å; T552-G554 PolarHBondContact O-N 3.01Å; T552-L555 HydrophobicContact CG2-CD1 4.19Å; T552-L555 PolarHBondContact O-N 3.3Å
553	A	73.3	Confident	66.1	Low	64 Å²	64	87.6 Å²	87.6	53%	0.529	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	107.2	175.4	0	0	0	0	0	110.6	H549 Y550	H549-A553 WeakPolarHBondContact O-CB 3.39Å; H549-A553 PolarHBondContact O-N 2.92Å; Y550-A553 PolarHBondContact O-N 2.9Å
554	G	60.8	Low	65.2	Low	75 Å²	75	90.5 Å²	90.5	77%	0.773	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.2	-2.5	179.9	0	0	0	0	0	115.1	T552 K556	T552-G554 PolarHBondContact O-N 3.01Å; G554-K556 VanDerWaalsContact C-N 3.32Å; G554-K556 PolarHBondContact O-N 2.94Å
555	L	67.3	Low	64	Low	72 Å²	72	95.4 Å²	95.4	38%	0.377	51%	0.51	S	S	.	.			trans	-68.2	96.8	161.3	-64.1	-178.1	0	0	0	106.9	Y480 I507 T552 T557	Y480-L555 HydrophobicContact CE1-CD1 4.49Å; I507-L555 HydrophobicContact CD1-CD1 4.24Å; T552-L555 HydrophobicContact CG2-CD1 4.19Å; T552-L555 PolarHBondContact O-N 3.3Å; L555-T557 PolarHBondContact O-N 2.96Å
556	K	50.1	Low	62.8	Low	197 Å²	197	96 Å²	96	86%	0.857	52%	0.521	S	S	*	.			trans	-59.8	106.1	171.9	-74.1	-176.8	178.4	-179.6	0	107.3	G554 D558	G554-K556 VanDerWaalsContact C-N 3.32Å; G554-K556 PolarHBondContact O-N 2.94Å; K556-D558 PolarHBondContact O-N 3.21Å
557	T	50.3	Low	61.5	Low	55 Å²	55	98.4 Å²	98.4	34%	0.337	54%	0.535	S	S	.	.			trans	-65.5	114.2	160.5	56.7	0	0	0	0	105.3	I479 L555 R559	I479-T557 HydrophobicContact CG2-CG2 4.34Å; L555-T557 PolarHBondContact O-N 2.96Å; T557-R559 PolarHBondContact O-N 3.08Å
558	D	41.9	Very low	60.1	Low	161 Å²	161	102.7 Å²	102.7	86%	0.861	56%	0.56	S	S	*	*			trans	-62.8	83.2	169.2	-92.5	-25.7	0	0	0	108.2	K556 G560	K556-D558 PolarHBondContact O-N 3.21Å; D558-G560 VanDerWaalsContact C-N 3.25Å; D558-G560 PolarHBondContact O-N 2.7Å; D558-G560 VanDerWaalsContact O-N 3.08Å
559	R	45.7	Very low	58.5	Low	202 Å²	202	109.4 Å²	109.4	76%	0.762	60%	0.596	S	S	*	*			trans	-78.1	82.8	166.7	-71.5	-173.5	-173.1	-166.6	0.3	106.5	T557	T557-R559 PolarHBondContact O-N 3.08Å
560	G	40.8	Very low	56.6	Low	59 Å²	59	108 Å²	108	61%	0.608	60%	0.597	S	S	*	*			trans	160	80.2	171.7	0	0	0	0	0	113.9	D558	D558-G560 VanDerWaalsContact C-N 3.25Å; D558-G560 PolarHBondContact O-N 2.7Å; D558-G560 VanDerWaalsContact O-N 3.08Å
561	K	34.5	Very low	54.6	Low	206 Å²	206	112.2 Å²	112.2	90%	0.896	63%	0.627	S	S	*	*			trans	159.9	80.5	144.4	-88.3	169.9	-173.4	-173.9	0	109.3
562	V	33.1	Very low	52.3	Low	222 Å²	222	121.2 Å²	121.2	100%	1.345	68%	0.679	S	S	*	*			trans	-135	0	143.3	-178.1	0	0	0	0	106.1

Retrieved 562 of 562 residues in 179 ms (Link to these results)

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