X5M5R6_CAEEL Loading...

UDP-glucuronate decarboxylase

AlphaFold DB , UniProt , Accession X5M5R6, Species CAEEL (Caenorhabditis elegans), Gene sqv-1, Length 412 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.3	Very low	34.9	Very low	236 Å²	236	160.5 Å²	160.5	100%	1.163	86%	0.857	S	S	*	*				0	108.6	0	-71	175.1	177.4	0	0	106
2	E	35.3	Very low	34.8	Very low	187 Å²	187	162.3 Å²	162.3	87%	0.874	86%	0.856	S	S	*	*			cis	-167	146.2	-0.5	-121.8	163.5	-172.4	0	0	104.9
3	E	31.4	Very low	34.8	Very low	185 Å²	185	164.5 Å²	164.5	86%	0.864	86%	0.855	S	S	*	*			trans	-70.7	157.9	172.5	-68.5	174.5	130.2	0	0	111.4
4	E	36.6	Very low	35	Very low	199 Å²	199	163.7 Å²	163.7	93%	0.93	85%	0.852	S	S	*	*			trans	175.8	122.4	135.9	-97.7	176.5	-166.4	0	0	106.7
5	G	33.7	Very low	35.7	Very low	74 Å²	74	165.7 Å²	165.7	76%	0.763	85%	0.852	S	S	*	*			cis	102.8	82	36	0	0	0	0	0	109.4
6	R	37.1	Very low	36.5	Very low	258 Å²	258	164.2 Å²	164.2	97%	0.974	85%	0.846	S	S	*	*			trans	-125.5	109.2	165.1	-88.1	-173.5	176.8	175.9	0.2	109.3
7	G	33.7	Very low	37.2	Very low	72 Å²	72	163.9 Å²	163.9	74%	0.742	85%	0.846	S	S	*	*			trans	-84.8	155.3	-165.8	0	0	0	0	0	115.7
8	D	35.2	Very low	37.8	Very low	161 Å²	161	161.7 Å²	161.7	86%	0.861	84%	0.835	S	S	*	*			trans	-66.4	127.4	163.7	-71.3	-43.9	0	0	0	110.2
9	T	34.4	Very low	38.4	Very low	132 Å²	132	157.9 Å²	157.9	81%	0.81	82%	0.821	S	S	*	*			trans	-95.8	105	170.4	-47.3	0	0	0	0	108.5
10	I	34.3	Very low	39.2	Very low	150 Å²	150	157.2 Å²	157.2	77%	0.769	82%	0.818	S	S	*	*			trans	-77.1	120.5	169.3	-63	173	0	0	0	107.6
11	V	37.3	Very low	40	Very low	111 Å²	111	156.5 Å²	156.5	67%	0.673	82%	0.816	S	S	*	*			trans	-86.8	106	172.5	-178	0	0	0	0	108.2	F13	V11-F13 HydrophobicContact CG1-CE2 4.46Å; V11-F13 PolarHBondContact O-N 2.99Å
12	E	33.4	Very low	41	Very low	183 Å²	183	148.2 Å²	148.2	86%	0.855	78%	0.779	S	S	*	*			trans	-72.3	118.1	168.1	-78.9	-174.3	150.2	0	0	110.2	N14	E12-N14 PolarHBondContact O-N 3.29Å
13	F	35.1	Very low	42.3	Very low	191 Å²	191	142.6 Å²	142.6	84%	0.838	76%	0.757	S	S	*	*			trans	-80.6	111.6	171.6	-93.8	-92.3	0	0	0	110.5	V11	V11-F13 HydrophobicContact CG1-CE2 4.46Å; V11-F13 PolarHBondContact O-N 2.99Å
14	N	37.6	Very low	43.9	Very low	153 Å²	153	137.2 Å²	137.2	82%	0.818	74%	0.74	S	S	*	*			trans	-74.6	120.8	175.5	-157.4	-5.2	0	0	0	110.3	E12 N16	E12-N14 PolarHBondContact O-N 3.29Å; N14-N16 PolarHBondContact O-N 2.9Å
15	K	44.8	Very low	45.3	Very low	194 Å²	194	130.7 Å²	130.7	84%	0.843	72%	0.716	S	S	*	*	S	Bend	trans	-80.8	2.2	-165.8	-98.1	-176.2	179.2	179.2	0	117
16	N	48.3	Very low	46.9	Very low	141 Å²	141	132 Å²	132	75%	0.754	71%	0.705	S	S	*	*	S	Bend	trans	-120.4	40.4	-164.3	-74.5	-8.8	0	0	0	115.9	N14	N14-N16 PolarHBondContact O-N 2.9Å
17	N	48.7	Very low	48.6	Very low	160 Å²	160	124.8 Å²	124.8	86%	0.856	69%	0.685	S	S	*	*			trans	-152.8	70.3	168.5	-104.5	-14.4	0	0	0	112.2
18	I	48.6	Very low	50.3	Low	124 Å²	124	128.4 Å²	128.4	64%	0.636	68%	0.683	S	S	*	*			trans	-96.3	123.7	163.9	-58.5	176	0	0	0	106.9	V23	I18-V23 HydrophobicContact CG2-CG2 4.45Å
19	P	48.8	Very low	51.9	Low	90 Å²	90	129.7 Å²	129.7	58%	0.584	68%	0.676	S	S	*	*			trans	-60	135.6	178.4	-20.3	30.9	0	0	0	111.6	D21 T22	P19-D21 PolarHBondContact O-N 3.11Å; P19-D21 VanDerWaalsContact O-N 3.08Å; P19-T22 PolarHBondContact O-N 3.27Å; P19-T22 PolarHBondContact O-OG1 3.25Å
20	D	54.5	Low	53.8	Low	142 Å²	142	127.5 Å²	127.5	76%	0.759	66%	0.658	S	S	*	*	H	α-helix	trans	-53.5	-30.3	-178.2	-94.9	-28.5	0	0	0	113.9	T22 V23 S24	D20-T22 PolarHBondContact O-N 3.39Å; D20-V23 PolarHBondContact O-N 3.3Å; D20-S24 PolarHBondContact O-N 3.38Å; D20-S24 VanDerWaalsContact O-N 3.16Å
21	D	55.9	Low	55.8	Low	143 Å²	143	126.9 Å²	126.9	77%	0.765	65%	0.65	S	S	*	*	H	α-helix	trans	-60.6	-30.9	177	-101.9	-9.2	0	0	0	113.1	P19 S25	P19-D21 PolarHBondContact O-N 3.11Å; P19-D21 VanDerWaalsContact O-N 3.08Å; D21-S25 WeakPolarHBondContact O-CB 3.41Å; D21-S25 PolarHBondContact O-N 2.89Å
22	T	57.2	Low	57.5	Low	63 Å²	63	126.8 Å²	126.8	39%	0.387	65%	0.645	S	S	.	*	H	α-helix	trans	-72.7	-37.2	179.5	-5.1	0	0	0	0	111.7	P19 D20 S25 L26	P19-T22 PolarHBondContact O-N 3.27Å; P19-T22 PolarHBondContact O-OG1 3.25Å; D20-T22 PolarHBondContact O-N 3.39Å; T22-S25 PolarHBondContact O-OG 3.49Å; T22-L26 VanDerWaalsContact O-CG 3.31Å; T22-L26 WeakPolarHBondContact O-CG 3.39Å; T22-L26 PolarHBondContact O-N 3.09Å
23	V	61.6	Low	59.3	Low	68 Å²	68	122.6 Å²	122.6	41%	0.412	63%	0.628	S	S	.	*	H	α-helix	trans	-73.5	-43	-179.4	179.9	0	0	0	0	110.6	I18 D20 S25 L26 L27	I18-V23 HydrophobicContact CG2-CG2 4.45Å; D20-V23 PolarHBondContact O-N 3.3Å; V23-S25 VanDerWaalsContact C-N 3.34Å; V23-S25 PolarHBondContact O-N 3Å; V23-L26 PolarHBondContact O-N 2.96Å; V23-L27 HydrophobicContact CG1-CD1 4.08Å; V23-L27 HydrophobicContact CG1-CG 4.48Å; V23-L27 WeakPolarHBondContact O-CG 3.45Å; V23-L27 PolarHBondContact O-N 3.33Å
24	S	64.1	Low	61.3	Low	73 Å²	73	119.2 Å²	119.2	51%	0.51	62%	0.615	S	S	.	*	H	α-helix	trans	-59.5	-43.1	173.6	-84.1	0	0	0	0	112.2	D20 L26 L27 E28	D20-S24 PolarHBondContact O-N 3.38Å; D20-S24 VanDerWaalsContact O-N 3.16Å; S24-L26 VanDerWaalsContact C-N 3.29Å; S24-L26 PolarHBondContact O-N 3.44Å; S24-L27 PolarHBondContact O-N 3.21Å; S24-E28 PolarHBondContact O-N 2.82Å
25	S	67.7	Low	63.3	Low	61 Å²	61	116.9 Å²	116.9	43%	0.427	60%	0.602	S	S	.	*	H	α-helix	trans	-65.3	-32	178	86.4	0	0	0	0	113.1	D21 T22 V23 R29	D21-S25 WeakPolarHBondContact O-CB 3.41Å; D21-S25 PolarHBondContact O-N 2.89Å; T22-S25 PolarHBondContact O-OG 3.49Å; V23-S25 VanDerWaalsContact C-N 3.34Å; V23-S25 PolarHBondContact O-N 3Å; S25-R29 WeakPolarHBondContact O-CB 3.38Å; S25-R29 PolarHBondContact O-N 3.08Å
26	L	67	Low	64.7	Low	103 Å²	103	112.5 Å²	112.5	54%	0.539	59%	0.585	S	S	.	*	H	α-helix	trans	-73.8	-39.3	176.6	-76.4	167.4	0	0	0	111.4	T22 V23 S24 R29 I30	T22-L26 VanDerWaalsContact O-CG 3.31Å; T22-L26 WeakPolarHBondContact O-CG 3.39Å; T22-L26 PolarHBondContact O-N 3.09Å; V23-L26 PolarHBondContact O-N 2.96Å; S24-L26 VanDerWaalsContact C-N 3.29Å; S24-L26 PolarHBondContact O-N 3.44Å; L26-R29 PolarHBondContact O-N 3.05Å; L26-I30 VanDerWaalsContact O-CG1 3.31Å; L26-I30 WeakPolarHBondContact O-CG1 3.31Å; L26-I30 PolarHBondContact O-N 2.99Å
27	L	72.1	Confident	65.8	Low	106 Å²	106	110.1 Å²	110.1	56%	0.555	57%	0.572	S	S	*	*	H	α-helix	trans	-66	-39.9	176.6	-72.4	170.5	0	0	0	112.1	V23 S24 R29 I30 K31	V23-L27 HydrophobicContact CG1-CD1 4.08Å; V23-L27 HydrophobicContact CG1-CG 4.48Å; V23-L27 WeakPolarHBondContact O-CG 3.45Å; V23-L27 PolarHBondContact O-N 3.33Å; S24-L27 PolarHBondContact O-N 3.21Å; L27-R29 VanDerWaalsContact C-N 3.28Å; L27-R29 PolarHBondContact O-N 3.37Å; L27-I30 PolarHBondContact O-N 2.85Å; L27-K31 PolarHBondContact O-N 3.04Å
28	E	69.5	Low	67.2	Low	147 Å²	147	105.8 Å²	105.8	69%	0.687	55%	0.554	S	S	*	*	H	α-helix	trans	-61	-39.3	171.8	-81.2	-172.1	155	0	0	111.8	S24 K31 L32	S24-E28 PolarHBondContact O-N 2.82Å; E28-K31 PolarHBondContact O-N 3.12Å; E28-L32 PolarHBondContact O-N 2.91Å
29	R	68.1	Low	68.2	Low	188 Å²	188	102.2 Å²	102.2	71%	0.709	54%	0.54	S	S	*	.	H	α-helix	trans	-72.2	-34.5	-179.6	-150.3	144.9	-179.2	173.9	-1.5	112.9	S25 L26 L27 L32 L33	S25-R29 WeakPolarHBondContact O-CB 3.38Å; S25-R29 PolarHBondContact O-N 3.08Å; L26-R29 PolarHBondContact O-N 3.05Å; L27-R29 VanDerWaalsContact C-N 3.28Å; L27-R29 PolarHBondContact O-N 3.37Å; R29-L32 PolarHBondContact O-N 3.1Å; R29-L33 WeakPolarHBondContact O-CG 3.44Å; R29-L33 PolarHBondContact O-N 3.11Å; R29-L33 VanDerWaalsContact O-N 3.13Å
30	I	76	Confident	69.1	Low	86 Å²	86	102.4 Å²	102.4	44%	0.441	53%	0.534	S	S	.	.	H	α-helix	trans	-63.8	-46	171.5	-72	166.7	0	0	0	109.8	L26 L27 L32 L33 E34	L26-I30 VanDerWaalsContact O-CG1 3.31Å; L26-I30 WeakPolarHBondContact O-CG1 3.31Å; L26-I30 PolarHBondContact O-N 2.99Å; L27-I30 PolarHBondContact O-N 2.85Å; I30-L32 VanDerWaalsContact C-N 3.3Å; I30-L32 PolarHBondContact O-N 3.25Å; I30-L33 PolarHBondContact O-N 2.98Å; I30-L33 VanDerWaalsContact O-N 3.13Å; I30-E34 HydrophobicContact CG2-CG 4.39Å; I30-E34 WeakPolarHBondContact O-CG 3.45Å; I30-E34 PolarHBondContact O-N 2.92Å
31	K	76.2	Confident	69.8	Low	137 Å²	137	103.9 Å²	103.9	60%	0.596	53%	0.529	S	S	*	.	H	α-helix	trans	-61.1	-39.6	178.8	-164.4	175.6	-177	-178.3	0	112.3	L27 E28 L33 E34 D35	L27-K31 PolarHBondContact O-N 3.04Å; E28-K31 PolarHBondContact O-N 3.12Å; K31-L33 VanDerWaalsContact C-N 3.34Å; K31-L33 PolarHBondContact O-N 3.35Å; K31-E34 PolarHBondContact O-N 2.79Å; K31-D35 PolarHBondContact O-N 2.97Å
32	L	73.3	Confident	70.7	Confident	110 Å²	110	100.7 Å²	100.7	58%	0.576	52%	0.515	S	S	*	.	H	α-helix	trans	-64.7	-37.9	176.4	-134	142.8	0	0	0	112.3	E28 R29 I30 E36	E28-L32 PolarHBondContact O-N 2.91Å; R29-L32 PolarHBondContact O-N 3.1Å; I30-L32 VanDerWaalsContact C-N 3.3Å; I30-L32 PolarHBondContact O-N 3.25Å; L32-E36 PolarHBondContact O-N 2.89Å
33	L	70.3	Confident	71.4	Confident	95 Å²	95	106.3 Å²	106.3	50%	0.497	53%	0.529	S	S	.	.	H	α-helix	trans	-71.4	-35.3	174.9	-73.2	166.6	0	0	0	112.6	R29 I30 K31 E36 L37	R29-L33 WeakPolarHBondContact O-CG 3.44Å; R29-L33 PolarHBondContact O-N 3.11Å; R29-L33 VanDerWaalsContact O-N 3.13Å; I30-L33 PolarHBondContact O-N 2.98Å; I30-L33 VanDerWaalsContact O-N 3.13Å; K31-L33 VanDerWaalsContact C-N 3.34Å; K31-L33 PolarHBondContact O-N 3.35Å; L33-E36 PolarHBondContact O-N 3.4Å; L33-L37 WeakPolarHBondContact O-CB 3.41Å; L33-L37 WeakPolarHBondContact O-CG 3.5Å; L33-L37 PolarHBondContact O-N 2.92Å
34	E	77.4	Confident	71.5	Confident	119 Å²	119	108.5 Å²	108.5	56%	0.556	54%	0.536	S	S	*	.	H	α-helix	trans	-65.6	-40.9	174.4	-73.9	178.2	161.6	0	0	111.6	I30 K31 L37 S38	I30-E34 HydrophobicContact CG2-CG 4.39Å; I30-E34 WeakPolarHBondContact O-CG 3.45Å; I30-E34 PolarHBondContact O-N 2.92Å; K31-E34 PolarHBondContact O-N 2.79Å; E34-L37 PolarHBondContact O-N 3.44Å; E34-S38 WeakPolarHBondContact O-CB 3.35Å; E34-S38 PolarHBondContact O-N 3.06Å
35	D	79.8	Confident	71.6	Confident	104 Å²	104	109.4 Å²	109.4	56%	0.556	54%	0.535	S	S	*	.	H	α-helix	trans	-65.8	-40.6	174.6	-74.1	-20.7	0	0	0	111.6	K31 S38 S39	K31-D35 PolarHBondContact O-N 2.97Å; D35-S38 PolarHBondContact O-N 3.41Å; D35-S39 PolarHBondContact O-N 3.26Å
36	E	73.4	Confident	71.5	Confident	102 Å²	102	110.9 Å²	110.9	48%	0.477	54%	0.538	S	S	.	.	H	α-helix	trans	-63.8	-43	174	-81.4	-172.6	161.7	0	0	112.3	L32 L33 S39 M40	L32-E36 PolarHBondContact O-N 2.89Å; L33-E36 PolarHBondContact O-N 3.4Å; E36-S39 PolarHBondContact O-N 2.89Å; E36-S39 PolarHBondContact O-OG 3.13Å; E36-M40 PolarHBondContact O-N 3.49Å
37	L	70.9	Confident	71.1	Confident	92 Å²	92	108.3 Å²	108.3	48%	0.482	53%	0.532	S	S	.	.	H	α-helix	trans	-64	-39.8	175.9	-85.7	163.2	0	0	0	112.4	L33 E34 M40 R41	L33-L37 WeakPolarHBondContact O-CB 3.41Å; L33-L37 WeakPolarHBondContact O-CG 3.5Å; L33-L37 PolarHBondContact O-N 2.92Å; E34-L37 PolarHBondContact O-N 3.44Å; L37-M40 HydrophobicContact CD2-CE 4.22Å; L37-M40 HydrophobicContact CG-CE 4.46Å; L37-M40 PolarHBondContact O-N 3.13Å; L37-R41 WeakPolarHBondContact O-CG 3.31Å; L37-R41 PolarHBondContact O-N 3.36Å
38	S	78.2	Confident	70.3	Confident	69 Å²	69	109 Å²	109	48%	0.483	53%	0.532	S	S	.	.	H	α-helix	trans	-60.4	-46.6	172.9	-175	0	0	0	0	110.8	E34 D35 M40 R41 T42	E34-S38 WeakPolarHBondContact O-CB 3.35Å; E34-S38 PolarHBondContact O-N 3.06Å; D35-S38 PolarHBondContact O-N 3.41Å; S38-M40 VanDerWaalsContact C-N 3.32Å; S38-M40 PolarHBondContact O-N 3Å; S38-R41 PolarHBondContact O-N 3.31Å; S38-T42 PolarHBondContact O-N 3.5Å; S38-T42 PolarHBondContact O-OG1 3.02Å; S38-T42 VanDerWaalsContact O-OG1 3.09Å
39	S	71.3	Confident	69.6	Low	48 Å²	48	107.7 Å²	107.7	34%	0.336	53%	0.53	S	S	.	.	H	α-helix	trans	-63.8	-35.2	177.6	87.5	0	0	0	0	113.3	D35 E36 R43	D35-S39 PolarHBondContact O-N 3.26Å; E36-S39 PolarHBondContact O-N 2.89Å; E36-S39 PolarHBondContact O-OG 3.13Å; S39-R43 VanDerWaalsContact O-CG 3.31Å; S39-R43 WeakPolarHBondContact O-CG 3.37Å; S39-R43 PolarHBondContact O-N 3.4Å; S39-R43 VanDerWaalsContact O-N 3.11Å
40	M	65.8	Low	68.9	Low	94 Å²	94	108.6 Å²	108.6	46%	0.463	53%	0.533	S	S	.	.	H	α-helix	trans	-69.3	-39.9	175.5	-89.5	-173.6	-73.4	0	0	111.6	E36 L37 S38 R43 M44	E36-M40 PolarHBondContact O-N 3.49Å; L37-M40 HydrophobicContact CD2-CE 4.22Å; L37-M40 HydrophobicContact CG-CE 4.46Å; L37-M40 PolarHBondContact O-N 3.13Å; S38-M40 VanDerWaalsContact C-N 3.32Å; S38-M40 PolarHBondContact O-N 3Å; M40-R43 PolarHBondContact O-N 2.89Å; M40-M44 WeakPolarHBondContact O-CG 3.43Å; M40-M44 PolarHBondContact O-N 3.01Å
41	R	70.5	Confident	67.6	Low	174 Å²	174	111.5 Å²	111.5	66%	0.657	55%	0.545	S	S	*	.	H	α-helix	trans	-61.8	-45.6	175	-76.3	176.6	178	172.2	0.4	111.5	L37 S38 R43 M44 D45	L37-R41 WeakPolarHBondContact O-CG 3.31Å; L37-R41 PolarHBondContact O-N 3.36Å; S38-R41 PolarHBondContact O-N 3.31Å; R41-R43 VanDerWaalsContact C-N 3.29Å; R41-R43 PolarHBondContact O-N 3.03Å; R41-M44 PolarHBondContact O-N 3.43Å; R41-M44 VanDerWaalsContact O-N 3.1Å; R41-D45 PolarHBondContact O-N 3.28Å
42	T	73.9	Confident	66	Low	76 Å²	76	107.5 Å²	107.5	47%	0.466	54%	0.543	S	S	.	.	H	α-helix	trans	-59.8	-40	175.1	-42.4	0	0	0	0	112.1	S38 M44 D45 D46	S38-T42 PolarHBondContact O-N 3.5Å; S38-T42 PolarHBondContact O-OG1 3.02Å; S38-T42 VanDerWaalsContact O-OG1 3.09Å; T42-M44 VanDerWaalsContact C-N 3.34Å; T42-M44 PolarHBondContact O-N 3.37Å; T42-D45 PolarHBondContact O-N 2.96Å; T42-D46 WeakPolarHBondContact O-CB 3.46Å; T42-D46 PolarHBondContact O-N 3.22Å
43	R	72.6	Confident	64.5	Low	181 Å²	181	109.7 Å²	109.7	68%	0.683	56%	0.555	S	S	*	*	H	α-helix	trans	-68.2	-31.3	176.6	-73.2	174.7	-175.6	176.1	5.1	113.3	S39 M40 R41 A47	S39-R43 VanDerWaalsContact O-CG 3.31Å; S39-R43 WeakPolarHBondContact O-CG 3.37Å; S39-R43 PolarHBondContact O-N 3.4Å; S39-R43 VanDerWaalsContact O-N 3.11Å; M40-R43 PolarHBondContact O-N 2.89Å; R41-R43 VanDerWaalsContact C-N 3.29Å; R41-R43 PolarHBondContact O-N 3.03Å; R43-A47 WeakPolarHBondContact O-CB 3.39Å; R43-A47 PolarHBondContact O-N 3.16Å; R43-A47 VanDerWaalsContact O-N 3.12Å
44	M	63.3	Low	63.2	Low	114 Å²	114	108.7 Å²	108.7	56%	0.562	56%	0.561	S	S	*	*	H	α-helix	trans	-72.9	-43.8	174.5	-73.8	-179.9	62.9	0	0	111	M40 R41 T42 D46 A47 E48	M40-M44 WeakPolarHBondContact O-CG 3.43Å; M40-M44 PolarHBondContact O-N 3.01Å; R41-M44 PolarHBondContact O-N 3.43Å; R41-M44 VanDerWaalsContact O-N 3.1Å; T42-M44 VanDerWaalsContact C-N 3.34Å; T42-M44 PolarHBondContact O-N 3.37Å; M44-D46 VanDerWaalsContact C-N 3.29Å; M44-D46 PolarHBondContact O-N 3.36Å; M44-A47 WeakPolarHBondContact O-CA 3.31Å; M44-A47 WeakPolarHBondContact O-CB 3.36Å; M44-A47 PolarHBondContact O-N 3.21Å; M44-E48 PolarHBondContact O-N 3.44Å
45	D	66.7	Low	61.6	Low	91 Å²	91	106.7 Å²	106.7	49%	0.487	56%	0.564	S	S	.	*	H	α-helix	trans	-62.6	-36.7	175.6	-64.6	-18.9	0	0	0	111.5	R41 T42 A47 N49	R41-D45 PolarHBondContact O-N 3.28Å; T42-D45 PolarHBondContact O-N 2.96Å; D45-A47 VanDerWaalsContact C-N 3.35Å; D45-N49 WeakPolarHBondContact O-CB 3.44Å; D45-N49 PolarHBondContact O-N 2.86Å; D45-N49 PolarHBondContact O-ND2 3.23Å
46	D	64.4	Low	59.8	Low	93 Å²	93	109.9 Å²	109.9	50%	0.497	58%	0.581	S	S	.	*	H	α-helix	trans	-69.1	-30.1	173	-77.5	-21.3	0	0	0	112.9	T42 M44 R50	T42-D46 WeakPolarHBondContact O-CB 3.46Å; T42-D46 PolarHBondContact O-N 3.22Å; M44-D46 VanDerWaalsContact C-N 3.29Å; M44-D46 PolarHBondContact O-N 3.36Å; D46-R50 VanDerWaalsContact O-CG 3.31Å; D46-R50 WeakPolarHBondContact O-CG 3.31Å; D46-R50 PolarHBondContact O-N 3.17Å
47	A	58.9	Low	58	Low	49 Å²	49	108 Å²	108	41%	0.405	59%	0.589	S	S	.	*	H	α-helix	trans	-76.2	-41.6	175.6	0	0	0	0	0	111.4	R43 M44 D45 R50 E51	R43-A47 WeakPolarHBondContact O-CB 3.39Å; R43-A47 PolarHBondContact O-N 3.16Å; R43-A47 VanDerWaalsContact O-N 3.12Å; M44-A47 WeakPolarHBondContact O-CA 3.31Å; M44-A47 WeakPolarHBondContact O-CB 3.36Å; M44-A47 PolarHBondContact O-N 3.21Å; D45-A47 VanDerWaalsContact C-N 3.35Å; A47-R50 WeakPolarHBondContact O-CB 3.48Å; A47-R50 PolarHBondContact O-N 3.03Å; A47-R50 VanDerWaalsContact O-N 3.11Å; A47-E51 PolarHBondContact O-N 3.22Å
48	E	56.3	Low	56.8	Low	121 Å²	121	112 Å²	112	57%	0.565	61%	0.612	S	S	*	*	H	α-helix	trans	-65.6	-38	175.2	-73	-174.5	175.8	0	0	111.6	M44 R50 E51 G52	M44-E48 PolarHBondContact O-N 3.44Å; E48-R50 VanDerWaalsContact C-N 3.28Å; E48-R50 PolarHBondContact O-N 3.17Å; E48-E51 PolarHBondContact O-N 3.26Å; E48-G52 PolarHBondContact O-N 2.98Å
49	N	53.3	Low	54.9	Low	119 Å²	119	116.8 Å²	116.8	64%	0.636	63%	0.626	S	S	*	*	H	α-helix	trans	-67.8	-24.8	172.2	-85.2	-40	0	0	0	113.4	D45	D45-N49 WeakPolarHBondContact O-CB 3.44Å; D45-N49 PolarHBondContact O-N 2.86Å; D45-N49 PolarHBondContact O-ND2 3.23Å
50	R	55.1	Low	53.5	Low	206 Å²	206	122.4 Å²	122.4	78%	0.777	65%	0.65	S	S	*	*	H	α-helix	trans	-77.3	-33.9	171.8	-77.9	175.5	-178	-172.2	2.6	112.2	D46 A47 E48	D46-R50 VanDerWaalsContact O-CG 3.31Å; D46-R50 WeakPolarHBondContact O-CG 3.31Å; D46-R50 PolarHBondContact O-N 3.17Å; A47-R50 WeakPolarHBondContact O-CB 3.48Å; A47-R50 PolarHBondContact O-N 3.03Å; A47-R50 VanDerWaalsContact O-N 3.11Å; E48-R50 VanDerWaalsContact C-N 3.28Å; E48-R50 PolarHBondContact O-N 3.17Å
51	E	48.5	Very low	52.5	Low	147 Å²	147	124 Å²	124	69%	0.687	67%	0.665	S	S	*	*	H	α-helix	trans	-72	-35.4	173.3	-73.5	-175.6	163.4	0	0	112.1	A47 E48 N53 A54	A47-E51 PolarHBondContact O-N 3.22Å; E48-E51 PolarHBondContact O-N 3.26Å; E51-N53 VanDerWaalsContact C-N 3.28Å; E51-N53 PolarHBondContact O-N 3.08Å; E51-A54 PolarHBondContact O-N 2.66Å; E51-A54 VanDerWaalsContact O-N 3.08Å
52	G	42.2	Very low	51.3	Low	53 Å²	53	118.8 Å²	118.8	55%	0.546	66%	0.66	S	S	.	*	H	α-helix	trans	-63.5	-26.5	176.9	0	0	0	0	0	115	E48	E48-G52 PolarHBondContact O-N 2.98Å
53	N	41.7	Very low	50.1	Low	156 Å²	156	120.9 Å²	120.9	83%	0.834	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-5.3	175.1	-92.8	-19.8	0	0	0	114	E51	E51-N53 VanDerWaalsContact C-N 3.28Å; E51-N53 PolarHBondContact O-N 3.08Å
54	A	43.3	Very low	48.8	Very low	75 Å²	75	119.8 Å²	119.8	62%	0.62	68%	0.682	S	S	*	*	S	Bend	trans	-95.9	-0	174.2	0	0	0	0	0	113	E51 N56	E51-A54 PolarHBondContact O-N 2.66Å; E51-A54 VanDerWaalsContact O-N 3.08Å; A54-N56 PolarHBondContact O-N 3.35Å
55	A	42.8	Very low	48.2	Very low	76 Å²	76	119.5 Å²	119.5	63%	0.628	69%	0.688	S	S	*	*			trans	-80.9	41.3	-176.3	0	0	0	0	0	114.5
56	N	41.7	Very low	47.7	Very low	171 Å²	171	120.7 Å²	120.7	91%	0.914	70%	0.699	S	S	*	*	S	Bend	trans	-141.8	77	166.6	-92	-29.9	0	0	0	109.5	A54	A54-N56 PolarHBondContact O-N 3.35Å
57	G	37.6	Very low	47.6	Very low	63 Å²	63	123.1 Å²	123.1	65%	0.649	72%	0.717	S	S	*	*			trans	164.7	93.2	173.5	0	0	0	0	0	110.8	E59	G57-E59 PolarHBondContact O-N 2.77Å
58	D	43.9	Very low	48.5	Very low	177 Å²	177	124.9 Å²	124.9	95%	0.947	72%	0.716	S	S	*	*			trans	-61.4	84.2	163.4	-82.8	-34.8	0	0	0	109.3
59	E	38.6	Very low	49.9	Very low	169 Å²	169	124.5 Å²	124.5	79%	0.79	73%	0.726	S	S	*	*			trans	-111.8	102.1	157.6	-84.3	-168.7	164.2	0	0	108	G57 V61	G57-E59 PolarHBondContact O-N 2.77Å; E59-V61 VanDerWaalsContact C-N 3.27Å; E59-V61 PolarHBondContact O-N 3.44Å
60	I	42.6	Very low	51.8	Low	165 Å²	165	121 Å²	121	85%	0.846	71%	0.706	S	S	*	*			trans	-55.8	100.6	156.8	-59.8	170.7	0	0	0	105.3	A62	I60-A62 PolarHBondContact O-N 3.47Å
61	V	44.6	Very low	53.5	Low	127 Å²	127	113.8 Å²	113.8	77%	0.77	69%	0.685	S	S	*	*			trans	-66.9	91.3	172.7	-177.6	0	0	0	0	106.3	E59	E59-V61 VanDerWaalsContact C-N 3.27Å; E59-V61 PolarHBondContact O-N 3.44Å
62	A	46.3	Very low	55.6	Low	66 Å²	66	112.1 Å²	112.1	55%	0.545	69%	0.69	S	S	.	*			trans	-51.5	135.1	169.6	0	0	0	0	0	107.8	I60 L64	I60-A62 PolarHBondContact O-N 3.47Å; A62-L64 PolarHBondContact O-N 3.09Å; A62-L64 VanDerWaalsContact O-N 3.09Å
63	P	48.1	Very low	58.2	Low	120 Å²	120	111.4 Å²	111.4	78%	0.779	68%	0.675	S	S	*	*			trans	-53	126.2	174.8	18	-27.1	0	0	0	108	P65	P63-P65 VanDerWaalsContact O-N 3.08Å
64	L	45.5	Very low	60.8	Low	158 Å²	158	112 Å²	112	83%	0.827	67%	0.665	S	S	*	*			trans	-43.5	120.2	-178.5	-77.3	160.7	0	0	0	108.8	A62 T66	A62-L64 PolarHBondContact O-N 3.09Å; A62-L64 VanDerWaalsContact O-N 3.09Å; L64-T66 PolarHBondContact O-N 2.88Å
65	P	50.3	Low	63.2	Low	108 Å²	108	117.4 Å²	117.4	70%	0.701	67%	0.671	S	S	*	*			trans	-59.7	117.6	-178.4	20.2	-29.1	0	0	0	107.9	P63 T67	P63-P65 VanDerWaalsContact O-N 3.08Å; P65-T67 VanDerWaalsContact C-N 3.34Å; P65-T67 PolarHBondContact O-N 3Å
66	T	55.3	Low	65.7	Low	115 Å²	115	116.2 Å²	116.2	71%	0.706	65%	0.65	S	S	*	*			trans	-64.5	100.2	171.9	43.3	0	0	0	0	106.9	L64 K68	L64-T66 PolarHBondContact O-N 2.88Å; T66-K68 PolarHBondContact O-N 2.91Å
67	T	62.9	Low	68.1	Low	144 Å²	144	111.1 Å²	111.1	88%	0.883	62%	0.623	S	S	*	*			trans	-65.1	4.5	178.2	49.8	0	0	0	0	113.5	P65 S69	P65-T67 VanDerWaalsContact C-N 3.34Å; P65-T67 PolarHBondContact O-N 3Å; T67-S69 PolarHBondContact O-N 2.8Å
68	K	77.3	Confident	70.6	Confident	87 Å²	87	117 Å²	117	38%	0.378	63%	0.634	S	S	.	*			trans	-78.7	107.4	179	-167.9	172.6	179.6	-177.7	0	109.3	T66 F70 E123 I126	T66-K68 PolarHBondContact O-N 2.91Å; K68-F70 HydrophobicContact CB-CE2 4.48Å; K68-F70 HydrophobicContact CB-CZ 4.12Å; K68-F70 HydrophobicContact CD-CE1 3.77Å; K68-F70 HydrophobicContact CD-CZ 3.97Å; K68-F70 HydrophobicContact CG-CE1 3.98Å; K68-F70 HydrophobicContact CG-CZ 4.03Å; K68-F70 WeakPolarHBondContact O-CD2 3.38Å; K68-F70 VanDerWaalsContact O-CE2 3.29Å; K68-F70 WeakPolarHBondContact O-CE2 3.39Å; K68-E123 PolarHBondContact NZ-O 3.26Å; K68-I126 PolarHBondContact NZ-O 3.32Å
69	S	85.8	Confident	72.7	Confident	113 Å²	113	117 Å²	117	79%	0.79	63%	0.628	S	S	*	*			trans	-70.4	133.2	167.8	179.7	0	0	0	0	109.7	T67	T67-S69 PolarHBondContact O-N 2.8Å
70	F	92.8	Very high	75.3	Confident	45 Å²	45	112 Å²	112	20%	0.197	61%	0.61	C	S	.	*			trans	-108.4	154.6	175.1	-59	-76.6	0	0	0	110.2	K68 S72 H124 H128	K68-F70 HydrophobicContact CB-CE2 4.48Å; K68-F70 HydrophobicContact CB-CZ 4.12Å; K68-F70 HydrophobicContact CD-CE1 3.77Å; K68-F70 HydrophobicContact CD-CZ 3.97Å; K68-F70 HydrophobicContact CG-CE1 3.98Å; K68-F70 HydrophobicContact CG-CZ 4.03Å; K68-F70 WeakPolarHBondContact O-CD2 3.38Å; K68-F70 VanDerWaalsContact O-CE2 3.29Å; K68-F70 WeakPolarHBondContact O-CE2 3.39Å; F70-S72 PolarHBondContact O-N 2.8Å; F70-H124 WeakPolarHBondContact CD1-O 3.29Å; F70-H128 HydrophobicContact CD1-CB 3.81Å; F70-H128 HydrophobicContact CD2-CB 4.44Å; F70-H128 AromaticContact CD2-CD2 3.95Å; F70-H128 HydrophobicContact CE1-CB 3.83Å; F70-H128 HydrophobicContact CE2-CB 4.46Å; F70-H128 HydrophobicContact CG-CB 4.13Å; F70-H128 AromaticContact CG-CD2 3.66Å; F70-H128 HydrophobicContact CZ-CB 4.18Å; F70-H128 VanDerWaalsContact CZ-N 3.32Å
71	P	92.4	Very high	77.9	Confident	54 Å²	54	107.1 Å²	107.1	35%	0.351	58%	0.58	S	S	.	*	P	Polyproline II helix	trans	-55	141.8	169.2	-20	30.7	0	0	0	110.8	V73 L103 W125	P71-V73 PolarHBondContact O-N 2.77Å; P71-L103 HydrophobicContact CB-CD2 4.17Å; P71-W125 HydrophobicContact CB-CH2 3.67Å; P71-W125 HydrophobicContact CB-CZ2 4.38Å; P71-W125 HydrophobicContact CB-CZ3 4.12Å; P71-W125 HydrophobicContact CG-CH2 3.71Å; P71-W125 HydrophobicContact CG-CZ2 4.13Å; P71-W125 HydrophobicContact CG-CZ3 3.96Å
72	S	92.8	Very high	80.5	Confident	113 Å²	113	104.1 Å²	104.1	79%	0.79	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-62.5	124.3	177.7	-173.8	0	0	0	0	110.3	F70 L103	F70-S72 PolarHBondContact O-N 2.8Å; S72-L103 WeakPolarHBondContact O-CD2 3.17Å
73	V	95.3	Very high	83	Confident	38 Å²	38	105.4 Å²	105.4	23%	0.23	55%	0.548	C	S	.	.	P	Polyproline II helix	trans	-103.6	148	177	-60.6	0	0	0	0	110.6	P71 M102 W125	P71-V73 PolarHBondContact O-N 2.77Å; V73-M102 WeakPolarHBondContact CB-O 3.02Å; V73-M102 WeakPolarHBondContact CG1-O 3.49Å; V73-W125 HydrophobicContact CG1-CH2 3.91Å; V73-W125 HydrophobicContact CG1-CZ3 3.77Å
74	R	96.2	Very high	85.4	Confident	167 Å²	167	99.7 Å²	99.7	63%	0.63	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-65.8	135.7	173.9	-177.5	178.1	-179.9	172.2	1.7	109.8	R76 L103 G105	R74-R76 PolarHBondContact O-N 3.17Å; R74-L103 WeakPolarHBondContact CB-O 3.39Å; R74-L103 PolarHBondContact N-O 2.93Å; R74-G105 WeakPolarHBondContact O-CA 3.1Å
75	Y	94.6	Very high	87.9	Confident	190 Å²	190	92.1 Å²	92.1	75%	0.745	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-69.4	132.1	170.9	179.1	-100.8	0	0	0	111	N77	Y75-N77 HydrophobicContact CE1-CB 4.43Å
76	R	95.3	Very high	90.2	Very high	50 Å²	50	87 Å²	87	19%	0.189	44%	0.438	C	S	.	.			trans	-128.8	133.7	168.1	-69.6	-170.8	174.3	-106	-1.8	109.3	R74 T80 R81 D104 H106	R74-R76 PolarHBondContact O-N 3.17Å; R76-T80 PolarHBondContact NH1-O 3.39Å; R76-R81 HydrophobicContact CB-CB 3.96Å; R76-R81 HydrophobicContact CB-CG 4.41Å; R76-R81 PolarHBondContact O-NE 2.69Å; R76-R81 PolarHBondContact O-NH2 3.05Å; R76-D104 WeakPolarHBondContact CD-O 3.37Å; R76-D104 PolarHBondContact NE-O 2.92Å; R76-H106 VanDerWaalsContact CZ-NE2 3.34Å; R76-H106 PolarHBondContact NE-CE1 3.13Å; R76-H106 PolarHBondContact NE-NE2 2.98Å; R76-H106 PolarHBondContact NH2-NE2 3.06Å
77	N	93.2	Very high	92.3	Very high	64 Å²	64	81.5 Å²	81.5	34%	0.342	40%	0.404	S	S	.	.			trans	-73.5	171.2	169	66.6	5	0	0	0	110.7	Y75 E79 T80 R81	Y75-N77 HydrophobicContact CE1-CB 4.43Å; N77-E79 VanDerWaalsContact C-N 3.28Å; N77-E79 PolarHBondContact O-N 3.49Å; N77-T80 PolarHBondContact O-N 3.26Å; N77-T80 WeakPolarHBondContact OD1-CB 3.18Å; N77-T80 WeakPolarHBondContact OD1-CG2 3.39Å; N77-T80 PolarHBondContact OD1-N 3.48Å; N77-T80 PolarHBondContact OD1-OG1 3.2Å; N77-R81 WeakPolarHBondContact O-CB 3.32Å; N77-R81 PolarHBondContact O-N 3.29Å
78	E	88.1	Confident	94	Very high	187 Å²	187	75.2 Å²	75.2	87%	0.874	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-36.6	-177.4	-66	-178.2	169.5	0	0	113.3	T80	E78-T80 PolarHBondContact O-N 3.1Å
79	E	89.1	Confident	95	Very high	176 Å²	176	71.1 Å²	71.1	82%	0.822	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-34.5	-179	-63.1	-179.7	165.5	0	0	113.7	N77	N77-E79 VanDerWaalsContact C-N 3.28Å; N77-E79 PolarHBondContact O-N 3.49Å
80	T	93.4	Very high	95.6	Very high	66 Å²	66	65.7 Å²	65.7	41%	0.405	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-12.3	-175.1	62.3	0	0	0	0	113.3	R76 N77 E78	R76-T80 PolarHBondContact NH1-O 3.39Å; N77-T80 PolarHBondContact O-N 3.26Å; N77-T80 WeakPolarHBondContact OD1-CB 3.18Å; N77-T80 WeakPolarHBondContact OD1-CG2 3.39Å; N77-T80 PolarHBondContact OD1-N 3.48Å; N77-T80 PolarHBondContact OD1-OG1 3.2Å; E78-T80 PolarHBondContact O-N 3.1Å
81	R	96.8	Very high	95.8	Very high	61 Å²	61	64.2 Å²	64.2	23%	0.23	31%	0.31	C	S	.	.			trans	-76.3	150.2	172.4	-166.3	178.1	-62.4	-167.5	0.6	109.3	R76 N77 E107 N130	R76-R81 HydrophobicContact CB-CB 3.96Å; R76-R81 HydrophobicContact CB-CG 4.41Å; R76-R81 PolarHBondContact O-NE 2.69Å; R76-R81 PolarHBondContact O-NH2 3.05Å; N77-R81 WeakPolarHBondContact O-CB 3.32Å; N77-R81 PolarHBondContact O-N 3.29Å; R81-E107 WeakPolarHBondContact CD-OE1 3.3Å; R81-E107 IonicContact CZ-OE1 3.91Å; R81-E107 IonicContact NE-OE1 3.06Å; R81-E107 IonicContact NH1-OE1 3.39Å; R81-E107 PolarHBondContact NH1-OE1 2.73Å; R81-N130 PolarHBondContact NH1-OD1 3.18Å
82	K	98.3	Very high	96.1	Very high	65 Å²	65	63 Å²	63	28%	0.283	30%	0.299	S	S	.	.			trans	-131.7	146.7	177.1	-63.4	-178.1	179	178.7	0	108	I84 H106 E107 D147 Q148 N307	K82-I84 HydrophobicContact CB-CD1 4.28Å; K82-I84 HydrophobicContact CB-CG1 3.99Å; K82-H106 PolarHBondContact N-ND1 3.45Å; K82-E107 PolarHBondContact O-N 3.08Å; K82-D147 WeakPolarHBondContact CA-OD2 3.39Å; K82-Q148 HydrophobicContact CD-CG 4.4Å; K82-N307 PolarHBondContact NZ-OD1 3.44Å
83	R	98.7	Very high	96.3	Very high	92 Å²	92	58.9 Å²	58.9	35%	0.347	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	118.8	168.8	-61.8	168.7	-60.7	165.4	8.7	108.1	E107 E145 V146 D147 Q148	R83-E107 CarbonylContact C-O 3.6Å; R83-E107 WeakPolarHBondContact CA-O 3.23Å; R83-E107 HydrophobicContact CG-CB 4.31Å; R83-E107 WeakPolarHBondContact CG-OE2 3.48Å; R83-E145 PolarHBondContact NH1-O 3.27Å; R83-V146 HydrophobicContact CB-CB 4.44Å; R83-V146 HydrophobicContact CB-CG1 4.26Å; R83-D147 IonicContact CZ-OD1 3.79Å; R83-D147 PolarHBondContact N-OD2 3.22Å; R83-D147 IonicContact NE-OD1 3.91Å; R83-D147 IonicContact NE-OD2 3.28Å; R83-D147 IonicContact NH2-OD1 3.97Å; R83-D147 PolarHBondContact NH2-OD1 3.38Å; R83-D147 PolarHBondContact O-N 3.26Å; R83-Q148 PolarHBondContact O-N 3.46Å
84	I	98.9	Very high	96.5	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	119.4	-168.4	-52.9	179.4	0	0	0	109.6	K82 I86 L101 H106 E107 V108 I109 Q148 Y150	K82-I84 HydrophobicContact CB-CD1 4.28Å; K82-I84 HydrophobicContact CB-CG1 3.99Å; I84-I86 HydrophobicContact CG2-CG1 4.18Å; I84-L101 HydrophobicContact CD1-CB 4.45Å; I84-L101 HydrophobicContact CD1-CD1 3.96Å; I84-L101 HydrophobicContact CD1-CD2 3.77Å; I84-L101 HydrophobicContact CD1-CG 4.28Å; I84-L101 HydrophobicContact CG2-CD1 3.94Å; I84-H106 HydrophobicContact CD1-CB 3.75Å; I84-H106 HydrophobicContact CG1-CB 4.39Å; I84-E107 PolarHBondContact N-O 3.21Å; I84-V108 WeakPolarHBondContact O-CA 3.49Å; I84-I109 PolarHBondContact O-N 2.71Å; I84-Q148 WeakPolarHBondContact CA-O 3.4Å; I84-Q148 HydrophobicContact CG1-CB 4.37Å; I84-Q148 HydrophobicContact CG2-CB 4.31Å; I84-Y150 HydrophobicContact CG2-CD2 3.51Å; I84-Y150 HydrophobicContact CG2-CE2 3.6Å
85	L	98.9	Very high	96.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	130.8	170.6	178.4	62.7	0	0	0	110.2	T87 I109 L111 Y142 V144 V146 Q148 I149 Y150 M179 L182	L85-T87 HydrophobicContact CD2-CG2 4.36Å; L85-T87 HydrophobicContact CG-CG2 4.32Å; L85-I109 HydrophobicContact CD1-CB 4.06Å; L85-I109 HydrophobicContact CD1-CG2 3.83Å; L85-L111 HydrophobicContact CD1-CB 3.78Å; L85-L111 HydrophobicContact CD1-CD1 4.23Å; L85-Y142 HydrophobicContact CD1-CE1 4.29Å; L85-Y142 HydrophobicContact CD2-CD1 4.36Å; L85-V144 HydrophobicContact CD2-CG1 4.37Å; L85-V146 HydrophobicContact CB-CG1 4.16Å; L85-V146 HydrophobicContact CB-CG2 4.24Å; L85-Q148 PolarHBondContact N-O 2.93Å; L85-I149 HydrophobicContact CB-CG1 4.27Å; L85-I149 HydrophobicContact CD2-CG1 4.38Å; L85-I149 HydrophobicContact CD2-CG2 4.23Å; L85-I149 HydrophobicContact CG-CG2 4.45Å; L85-I149 CarbonylContact O-C 3.55Å; L85-I149 WeakPolarHBondContact O-CA 3.17Å; L85-Y150 PolarHBondContact O-N 3.19Å; L85-M179 HydrophobicContact CD2-SD 4.01Å; L85-L182 HydrophobicContact CD2-CD2 3.7Å
86	I	98.9	Very high	96.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	100.7	173.6	-51.8	170.8	0	0	0	108.2	I84 G89 L97 V98 L101 V108 I109 L111 Y150	I84-I86 HydrophobicContact CG2-CG1 4.18Å; I86-G89 PolarHBondContact O-N 3.29Å; I86-L97 HydrophobicContact CD1-CD2 4.22Å; I86-L97 HydrophobicContact CD1-CG 4.04Å; I86-L97 HydrophobicContact CG1-CD2 4.45Å; I86-L97 HydrophobicContact CG2-CD2 4.22Å; I86-V98 HydrophobicContact CD1-CB 4.41Å; I86-V98 HydrophobicContact CD1-CG2 3.62Å; I86-L101 HydrophobicContact CD1-CD1 3.84Å; I86-V108 HydrophobicContact CD1-CG1 3.61Å; I86-V108 HydrophobicContact CG1-CG1 4.3Å; I86-I109 PolarHBondContact N-O 2.87Å; I86-L111 PolarHBondContact O-N 3.27Å; I86-Y150 WeakPolarHBondContact CA-O 3.5Å; I86-Y150 HydrophobicContact CG1-CD2 4.47Å
87	T	98.9	Very high	97	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	136.9	171.6	72.4	0	0	0	0	109.1	L85 G89 L111 V138 Y150 H151 L152 A153 M179	L85-T87 HydrophobicContact CD2-CG2 4.36Å; L85-T87 HydrophobicContact CG-CG2 4.32Å; T87-G89 VanDerWaalsContact C-N 3.27Å; T87-L111 CarbonylContact C-O 3.43Å; T87-L111 VanDerWaalsContact CA-O 3.31Å; T87-L111 WeakPolarHBondContact CA-O 3.33Å; T87-L111 HydrophobicContact CG2-CD2 4.22Å; T87-V138 HydrophobicContact CG2-CG1 3.8Å; T87-Y150 PolarHBondContact N-O 3.33Å; T87-H151 VanDerWaalsContact OG1-CA 3.3Å; T87-H151 WeakPolarHBondContact OG1-CA 3.48Å; T87-H151 PolarHBondContact OG1-ND1 3.2Å; T87-L152 CarbonylContact O-C 3.49Å; T87-L152 VanDerWaalsContact O-C 3.31Å; T87-L152 VanDerWaalsContact O-CA 3.28Å; T87-L152 WeakPolarHBondContact O-CA 3.38Å; T87-L152 VanDerWaalsContact O-CB 3.25Å; T87-L152 WeakPolarHBondContact O-CB 3.42Å; T87-L152 PolarHBondContact O-N 3.42Å; T87-L152 PolarHBondContact OG1-N 3Å; T87-A153 PolarHBondContact O-N 3.08Å; T87-A153 WeakPolarHBondContact OG1-CB 3.36Å; T87-A153 PolarHBondContact OG1-N 2.8Å; T87-M179 HydrophobicContact CG2-CG 4.1Å; T87-M179 HydrophobicContact CG2-SD 3.49Å; T87-M179 WeakPolarHBondContact CG2-SD 3.37Å
88	G	98.5	Very high	97.3	Very high	12 Å²	12	36.1 Å²	36.1	12%	0.124	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	21	-168.1	0	0	0	0	0	112.5	A90 G91 L111 D112	G88-A90 PolarHBondContact O-N 2.86Å; G88-G91 PolarHBondContact O-N 2.85Å; G88-L111 PolarHBondContact N-O 3.35Å; G88-D112 VanDerWaalsContact CA-OD2 3.27Å; G88-D112 WeakPolarHBondContact CA-OD2 3.49Å
89	G	98.3	Very high	97.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-20.3	-174.4	0	0	0	0	0	114.5	I86 T87 G94 S95 V122	I86-G89 PolarHBondContact O-N 3.29Å; T87-G89 VanDerWaalsContact C-N 3.27Å; G89-G94 CarbonylContact O-C 3.25Å; G89-G94 VanDerWaalsContact O-C 3.22Å; G89-S95 WeakPolarHBondContact O-CA 3.08Å; G89-S95 PolarHBondContact O-N 2.79Å; G89-S95 VanDerWaalsContact O-N 3.1Å; G89-V122 WeakPolarHBondContact O-CG1 3.46Å
90	A	98.3	Very high	98.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	3.3	175.2	0	0	0	0	0	112.9	G88 D112 Y114 G117 R118 N121 V122 M133	G88-A90 PolarHBondContact O-N 2.86Å; A90-D112 WeakPolarHBondContact CA-OD2 3.42Å; A90-D112 HydrophobicContact CB-CB 3.81Å; A90-D112 WeakPolarHBondContact CB-OD2 3.47Å; A90-D112 PolarHBondContact N-OD2 2.99Å; A90-Y114 HydrophobicContact CB-CD1 4.16Å; A90-Y114 HydrophobicContact CB-CE1 3.82Å; A90-G117 WeakPolarHBondContact O-CA 3.31Å; A90-R118 PolarHBondContact O-N 2.95Å; A90-N121 PolarHBondContact O-ND2 2.83Å; A90-V122 HydrophobicContact CB-CG2 4.41Å; A90-M133 HydrophobicContact CB-CE 3.95Å
91	G	97.4	Very high	98.5	Very high	14 Å²	14	20.9 Å²	20.9	14%	0.144	10%	0.099	C	C	.	.	S	Bend	trans	-75.7	-178.1	173.1	0	0	0	0	0	113.6	G88 S95 D112	G88-G91 PolarHBondContact O-N 2.85Å; G91-S95 VanDerWaalsContact O-CB 3.24Å; G91-S95 WeakPolarHBondContact O-CB 3.45Å; G91-S95 PolarHBondContact O-N 2.97Å; G91-S95 VanDerWaalsContact O-N 3.08Å; G91-S95 PolarHBondContact O-OG 3.31Å; G91-D112 PolarHBondContact N-OD2 3.1Å
92	F	97.6	Very high	98.6	Very high	27 Å²	27	18 Å²	18	12%	0.118	9%	0.088	C	C	.	.	H	α-helix	trans	-56.1	-70.8	177.7	164	-137.1	0	0	0	111.5	G94 S95 H96 T254 F255 P257 R258 M259 V295	F92-G94 PolarHBondContact O-N 2.85Å; F92-S95 PolarHBondContact O-OG 3.36Å; F92-H96 AromaticContact CE2-NE2 3.96Å; F92-H96 PolarHBondContact O-CD2 3.02Å; F92-H96 VanDerWaalsContact O-CD2 3.23Å; F92-T254 HydrophobicContact CE1-CG2 4.19Å; F92-T254 HydrophobicContact CZ-CG2 4.28Å; F92-F255 VanDerWaalsContact CZ-C 3.48Å; F92-P257 WeakPolarHBondContact CD2-O 3.23Å; F92-P257 WeakPolarHBondContact CE2-O 3.2Å; F92-R258 HydrophobicContact CD2-CB 4.41Å; F92-M259 HydrophobicContact CD1-CG 3.6Å; F92-M259 HydrophobicContact CD2-CG 3.78Å; F92-M259 HydrophobicContact CE1-CG 3.47Å; F92-M259 VanDerWaalsContact CE1-CG 3.47Å; F92-M259 HydrophobicContact CE1-SD 4.1Å; F92-M259 HydrophobicContact CE2-CG 3.67Å; F92-M259 HydrophobicContact CG-CG 3.76Å; F92-M259 HydrophobicContact CZ-CG 3.5Å; F92-M259 HydrophobicContact CZ-SD 4.11Å; F92-V295 HydrophobicContact CD2-CG2 4.45Å; F92-V295 HydrophobicContact CE1-CG2 4.49Å; F92-V295 HydrophobicContact CE2-CB 3.83Å; F92-V295 HydrophobicContact CE2-CG1 4.16Å; F92-V295 HydrophobicContact CE2-CG2 3.67Å; F92-V295 HydrophobicContact CZ-CB 3.66Å; F92-V295 HydrophobicContact CZ-CG1 4.39Å; F92-V295 HydrophobicContact CZ-CG2 3.71Å
93	V	98.6	Very high	98.6	Very high	27 Å²	27	18.5 Å²	18.5	16%	0.164	9%	0.093	C	C	.	.	H	α-helix	trans	-64.2	-42.8	-178.3	-179.9	0	0	0	0	111.5	S95 H96 L97 L152 V295 L298 L302	V93-S95 VanDerWaalsContact C-N 3.29Å; V93-S95 PolarHBondContact O-N 2.78Å; V93-H96 PolarHBondContact O-N 3.28Å; V93-L97 PolarHBondContact O-N 3.15Å; V93-L152 HydrophobicContact CB-CD2 4.19Å; V93-L152 HydrophobicContact CG1-CD2 3.87Å; V93-V295 HydrophobicContact CG2-CG2 4.45Å; V93-L298 HydrophobicContact CB-CD2 4.33Å; V93-L298 HydrophobicContact CG1-CD2 3.6Å; V93-L298 HydrophobicContact CG1-CG 4.22Å; V93-L298 HydrophobicContact CG2-CD2 3.71Å; V93-L302 HydrophobicContact CG1-CD1 4.05Å
94	G	98.6	Very high	98.5	Very high	2 Å²	2	15.7 Å²	15.7	2%	0.021	9%	0.085	C	C	.	.	H	α-helix	trans	-55.9	-41.3	-177.8	0	0	0	0	0	113	G89 F92 H96 L97 V98	G89-G94 CarbonylContact O-C 3.25Å; G89-G94 VanDerWaalsContact O-C 3.22Å; F92-G94 PolarHBondContact O-N 2.85Å; G94-H96 PolarHBondContact O-N 3.07Å; G94-L97 WeakPolarHBondContact O-CB 3.49Å; G94-L97 PolarHBondContact O-N 3.48Å; G94-V98 WeakPolarHBondContact O-CG2 3.31Å; G94-V98 PolarHBondContact O-N 3.1Å
95	S	98.7	Very high	98.5	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-69.2	-34	-179.5	66.5	0	0	0	0	113.9	G89 G91 F92 V93 L97 V98 D99 N121 R258	G89-S95 WeakPolarHBondContact O-CA 3.08Å; G89-S95 PolarHBondContact O-N 2.79Å; G89-S95 VanDerWaalsContact O-N 3.1Å; G91-S95 VanDerWaalsContact O-CB 3.24Å; G91-S95 WeakPolarHBondContact O-CB 3.45Å; G91-S95 PolarHBondContact O-N 2.97Å; G91-S95 VanDerWaalsContact O-N 3.08Å; G91-S95 PolarHBondContact O-OG 3.31Å; F92-S95 PolarHBondContact O-OG 3.36Å; V93-S95 VanDerWaalsContact C-N 3.29Å; V93-S95 PolarHBondContact O-N 2.78Å; S95-L97 VanDerWaalsContact C-N 3.35Å; S95-V98 PolarHBondContact O-N 2.94Å; S95-D99 VanDerWaalsContact O-CG 3.29Å; S95-D99 PolarHBondContact O-N 2.85Å; S95-N121 WeakPolarHBondContact CB-O 3.47Å; S95-R258 VanDerWaalsContact C-NH1 3.35Å; S95-R258 PolarHBondContact O-NH1 3.35Å; S95-R258 WeakPolarHBondContact OG-CD 3.41Å; S95-R258 PolarHBondContact OG-NH1 2.91Å
96	H	98.9	Very high	98.4	Very high	29 Å²	29	16.3 Å²	16.3	13%	0.134	9%	0.088	C	C	.	.	H	α-helix	trans	-71	-34.3	173.4	-70.9	-80.7	0	0	0	111.4	F92 V93 G94 D99 K100 P257 V295 V299	F92-H96 AromaticContact CE2-NE2 3.96Å; F92-H96 PolarHBondContact O-CD2 3.02Å; F92-H96 VanDerWaalsContact O-CD2 3.23Å; V93-H96 PolarHBondContact O-N 3.28Å; G94-H96 PolarHBondContact O-N 3.07Å; H96-D99 PolarHBondContact O-N 2.91Å; H96-K100 PolarHBondContact O-N 3.29Å; H96-K100 VanDerWaalsContact O-N 3.08Å; H96-P257 PolarHBondContact NE2-O 3.26Å; H96-V295 HydrophobicContact CB-CG2 4.12Å; H96-V299 HydrophobicContact CB-CG2 3.83Å
97	L	98.9	Very high	98.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-66.6	-42.4	173	179.9	62.7	0	0	0	111.6	I86 V93 G94 S95 D99 K100 L101 Y150 L152 V299 I303	I86-L97 HydrophobicContact CD1-CD2 4.22Å; I86-L97 HydrophobicContact CD1-CG 4.04Å; I86-L97 HydrophobicContact CG1-CD2 4.45Å; I86-L97 HydrophobicContact CG2-CD2 4.22Å; V93-L97 PolarHBondContact O-N 3.15Å; G94-L97 WeakPolarHBondContact O-CB 3.49Å; G94-L97 PolarHBondContact O-N 3.48Å; S95-L97 VanDerWaalsContact C-N 3.35Å; L97-D99 VanDerWaalsContact C-N 3.34Å; L97-D99 PolarHBondContact O-N 2.9Å; L97-K100 PolarHBondContact O-N 3.47Å; L97-L101 HydrophobicContact CD1-CD1 3.8Å; L97-L101 HydrophobicContact CD1-CG 4.12Å; L97-L101 HydrophobicContact CG-CD1 3.87Å; L97-L101 WeakPolarHBondContact O-CB 3.39Å; L97-L101 WeakPolarHBondContact O-CG 3.35Å; L97-L101 PolarHBondContact O-N 3.47Å; L97-Y150 HydrophobicContact CD1-CE1 4.32Å; L97-Y150 HydrophobicContact CD2-CD1 3.59Å; L97-Y150 HydrophobicContact CD2-CD2 4.32Å; L97-Y150 HydrophobicContact CD2-CE1 4.15Å; L97-Y150 HydrophobicContact CD2-CG 3.67Å; L97-L152 HydrophobicContact CD2-CD1 4.44Å; L97-L152 HydrophobicContact CD2-CD2 4.31Å; L97-V299 HydrophobicContact CB-CG1 4.48Å; L97-V299 HydrophobicContact CB-CG2 4.32Å; L97-V299 HydrophobicContact CD1-CG1 4.01Å; L97-I303 HydrophobicContact CD1-CD1 3.92Å; L97-I303 HydrophobicContact CD1-CG1 3.68Å
98	V	98.9	Very high	98.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-54.1	-52.1	171.1	168.1	0	0	0	0	109.8	I86 G94 S95 K100 L101 M102 V108 A110 V122 F131	I86-V98 HydrophobicContact CD1-CB 4.41Å; I86-V98 HydrophobicContact CD1-CG2 3.62Å; G94-V98 WeakPolarHBondContact O-CG2 3.31Å; G94-V98 PolarHBondContact O-N 3.1Å; S95-V98 PolarHBondContact O-N 2.94Å; V98-K100 VanDerWaalsContact C-N 3.34Å; V98-K100 PolarHBondContact O-N 3.46Å; V98-L101 PolarHBondContact O-N 3.31Å; V98-M102 HydrophobicContact CG1-CG 4.01Å; V98-M102 VanDerWaalsContact O-CB 3.3Å; V98-M102 WeakPolarHBondContact O-CB 3.44Å; V98-M102 VanDerWaalsContact O-CG 3.23Å; V98-M102 WeakPolarHBondContact O-CG 3.19Å; V98-M102 PolarHBondContact O-N 3.33Å; V98-V108 HydrophobicContact CG1-CG1 4.3Å; V98-V108 HydrophobicContact CG2-CG1 4.12Å; V98-A110 HydrophobicContact CG2-CB 4.17Å; V98-V122 HydrophobicContact CB-CG1 4.41Å; V98-V122 HydrophobicContact CG1-CG1 4.27Å; V98-V122 HydrophobicContact CG2-CG1 4.33Å; V98-F131 HydrophobicContact CG1-CD2 4.12Å; V98-F131 HydrophobicContact CG1-CE2 3.55Å; V98-F131 HydrophobicContact CG1-CZ 4.37Å
99	D	98.6	Very high	98.4	Very high	25 Å²	25	20 Å²	20	13%	0.134	10%	0.102	C	C	.	.	H	α-helix	trans	-55.4	-48.6	-179.7	-70.5	-18.5	0	0	0	112	S95 H96 L97 L101 M102 L103 H124 W125 R258	S95-D99 VanDerWaalsContact O-CG 3.29Å; S95-D99 PolarHBondContact O-N 2.85Å; H96-D99 PolarHBondContact O-N 2.91Å; L97-D99 VanDerWaalsContact C-N 3.34Å; L97-D99 PolarHBondContact O-N 2.9Å; D99-L101 PolarHBondContact O-N 2.93Å; D99-M102 PolarHBondContact O-N 2.91Å; D99-L103 WeakPolarHBondContact O-CB 3.35Å; D99-L103 WeakPolarHBondContact O-CG 3.48Å; D99-L103 PolarHBondContact O-N 3.41Å; D99-H124 IonicContact OD1-CD2 3.64Å; D99-H124 IonicContact OD1-CE1 3.63Å; D99-H124 PolarHBondContact OD1-CE1 3.44Å; D99-H124 IonicContact OD1-NE2 2.94Å; D99-H124 PolarHBondContact OD1-NE2 2.97Å; D99-H124 IonicContact OD2-NE2 3.85Å; D99-W125 PolarHBondContact OD1-NE1 3.28Å; D99-R258 IonicContact OD2-CZ 2.71Å; D99-R258 IonicContact OD2-NH1 2.78Å; D99-R258 PolarHBondContact OD2-NH1 3.12Å; D99-R258 IonicContact OD2-NH2 3.94Å; D99-R258 PolarHBondContact OD2-NH2 2.97Å
100	K	98.6	Very high	98.5	Very high	82 Å²	82	20 Å²	20	36%	0.357	10%	0.102	S	C	.	.	H	α-helix	trans	-63.2	-43.9	-178.1	-174.1	64.6	178.5	80.5	0	112.1	H96 L97 V98 D104 V299 I303	H96-K100 PolarHBondContact O-N 3.29Å; H96-K100 VanDerWaalsContact O-N 3.08Å; L97-K100 PolarHBondContact O-N 3.47Å; V98-K100 VanDerWaalsContact C-N 3.34Å; V98-K100 PolarHBondContact O-N 3.46Å; K100-D104 IonicContact NZ-OD1 3.4Å; K100-D104 PolarHBondContact NZ-OD1 3.4Å; K100-D104 IonicContact NZ-OD2 2.76Å; K100-D104 PolarHBondContact NZ-OD2 3.38Å; K100-D104 WeakPolarHBondContact O-CB 3.37Å; K100-D104 PolarHBondContact O-N 3Å; K100-V299 HydrophobicContact CB-CG1 3.83Å; K100-V299 HydrophobicContact CG-CG1 4.16Å; K100-I303 HydrophobicContact CB-CD1 4.05Å; K100-I303 HydrophobicContact CG-CD1 3.43Å; K100-I303 VanDerWaalsContact CG-CD1 3.43Å
101	L	98.8	Very high	98.5	Very high	3 Å²	3	20 Å²	20	2%	0.016	10%	0.103	C	C	.	.	H	α-helix	trans	-72.9	-35	-178.1	-68.2	171.6	0	0	0	112.5	I84 I86 L97 V98 D99 D104 G105 H106 V108 Y150 I303	I84-L101 HydrophobicContact CD1-CB 4.45Å; I84-L101 HydrophobicContact CD1-CD1 3.96Å; I84-L101 HydrophobicContact CD1-CD2 3.77Å; I84-L101 HydrophobicContact CD1-CG 4.28Å; I84-L101 HydrophobicContact CG2-CD1 3.94Å; I86-L101 HydrophobicContact CD1-CD1 3.84Å; L97-L101 HydrophobicContact CD1-CD1 3.8Å; L97-L101 HydrophobicContact CD1-CG 4.12Å; L97-L101 HydrophobicContact CG-CD1 3.87Å; L97-L101 WeakPolarHBondContact O-CB 3.39Å; L97-L101 WeakPolarHBondContact O-CG 3.35Å; L97-L101 PolarHBondContact O-N 3.47Å; V98-L101 PolarHBondContact O-N 3.31Å; D99-L101 PolarHBondContact O-N 2.93Å; L101-D104 PolarHBondContact O-N 3.4Å; L101-G105 PolarHBondContact O-N 3.19Å; L101-H106 WeakPolarHBondContact O-CB 3.46Å; L101-H106 PolarHBondContact O-N 3.39Å; L101-H106 VanDerWaalsContact O-N 3.1Å; L101-V108 HydrophobicContact CB-CG2 3.79Å; L101-Y150 HydrophobicContact CD1-CD2 4.44Å; L101-Y150 HydrophobicContact CD1-CE2 4.03Å; L101-I303 HydrophobicContact CD2-CD1 4.12Å; L101-I303 HydrophobicContact CD2-CG1 4.28Å; L101-I303 HydrophobicContact CG-CD1 4.45Å
102	M	98.5	Very high	98.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-63.8	-50	171.9	-75.7	-60.6	-61.8	0	0	111.2	V73 V98 D99 D104 G105 V108 W125 H128 N130 F131	V73-M102 WeakPolarHBondContact CB-O 3.02Å; V73-M102 WeakPolarHBondContact CG1-O 3.49Å; V98-M102 HydrophobicContact CG1-CG 4.01Å; V98-M102 VanDerWaalsContact O-CB 3.3Å; V98-M102 WeakPolarHBondContact O-CB 3.44Å; V98-M102 VanDerWaalsContact O-CG 3.23Å; V98-M102 WeakPolarHBondContact O-CG 3.19Å; V98-M102 PolarHBondContact O-N 3.33Å; D99-M102 PolarHBondContact O-N 2.91Å; M102-D104 PolarHBondContact O-N 3.29Å; M102-G105 WeakPolarHBondContact O-CA 3.38Å; M102-G105 PolarHBondContact O-N 2.7Å; M102-V108 HydrophobicContact CG-CB 4.23Å; M102-V108 HydrophobicContact CG-CG2 4.04Å; M102-V108 HydrophobicContact SD-CB 3.72Å; M102-V108 HydrophobicContact SD-CG2 3.72Å; M102-W125 HydrophobicContact CB-CD2 3.98Å; M102-W125 HydrophobicContact CB-CE3 4.2Å; M102-W125 HydrophobicContact CB-CH2 3.72Å; M102-W125 HydrophobicContact CB-CZ2 3.48Å; M102-W125 VanDerWaalsContact CB-CZ2 3.48Å; M102-W125 HydrophobicContact CB-CZ3 4.07Å; M102-W125 HydrophobicContact CE-CD2 3.98Å; M102-W125 HydrophobicContact CE-CE3 3.55Å; M102-W125 HydrophobicContact CE-CG 4.48Å; M102-W125 HydrophobicContact CE-CZ3 3.95Å; M102-W125 HydrophobicContact CG-CD2 3.9Å; M102-W125 HydrophobicContact CG-CE3 4.33Å; M102-W125 HydrophobicContact CG-CG 4.17Å; M102-W125 HydrophobicContact CG-CZ2 4.27Å; M102-H128 HydrophobicContact CE-CB 4.29Å; M102-H128 VanDerWaalsContact CE-ND1 3.32Å; M102-H128 WeakPolarHBondContact CE-ND1 3.35Å; M102-N130 HydrophobicContact CE-CB 4.18Å; M102-F131 HydrophobicContact CE-CB 3.68Å; M102-F131 HydrophobicContact CG-CD2 4.35Å; M102-F131 HydrophobicContact SD-CB 3.88Å; M102-F131 HydrophobicContact SD-CD2 3.98Å; M102-F131 HydrophobicContact SD-CG 4.38Å
103	L	98.3	Very high	98.5	Very high	75 Å²	75	20.6 Å²	20.6	39%	0.393	10%	0.103	S	C	.	.	H	α-helix	trans	-60.5	-33.5	176.7	-71	170.3	0	0	0	112.2	P71 S72 R74 D99 G105 W125	P71-L103 HydrophobicContact CB-CD2 4.17Å; S72-L103 WeakPolarHBondContact O-CD2 3.17Å; R74-L103 WeakPolarHBondContact CB-O 3.39Å; R74-L103 PolarHBondContact N-O 2.93Å; D99-L103 WeakPolarHBondContact O-CB 3.35Å; D99-L103 WeakPolarHBondContact O-CG 3.48Å; D99-L103 PolarHBondContact O-N 3.41Å; L103-G105 PolarHBondContact O-N 3.24Å; L103-W125 HydrophobicContact CD2-CH2 4.07Å; L103-W125 HydrophobicContact CD2-CZ2 4.43Å; L103-W125 HydrophobicContact CG-CH2 4.3Å; L103-W125 HydrophobicContact CG-CZ2 4.26Å
104	D	97.8	Very high	98.5	Very high	34 Å²	34	21.8 Å²	21.8	18%	0.182	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-8.6	174.7	-73.5	-13.9	0	0	0	113.4	R76 K100 L101 M102	R76-D104 WeakPolarHBondContact CD-O 3.37Å; R76-D104 PolarHBondContact NE-O 2.92Å; K100-D104 IonicContact NZ-OD1 3.4Å; K100-D104 PolarHBondContact NZ-OD1 3.4Å; K100-D104 IonicContact NZ-OD2 2.76Å; K100-D104 PolarHBondContact NZ-OD2 3.38Å; K100-D104 WeakPolarHBondContact O-CB 3.37Å; K100-D104 PolarHBondContact O-N 3Å; L101-D104 PolarHBondContact O-N 3.4Å; M102-D104 PolarHBondContact O-N 3.29Å
105	G	97.8	Very high	98.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.3	16.6	173.3	0	0	0	0	0	115.6	R74 L101 M102 L103	R74-G105 WeakPolarHBondContact O-CA 3.1Å; L101-G105 PolarHBondContact O-N 3.19Å; M102-G105 WeakPolarHBondContact O-CA 3.38Å; M102-G105 PolarHBondContact O-N 2.7Å; L103-G105 PolarHBondContact O-N 3.24Å
106	H	98.6	Very high	98	Very high	13 Å²	13	24.7 Å²	24.7	6%	0.06	12%	0.121	C	C	.	.			trans	-81.9	164.3	177.6	-64.7	-69.9	0	0	0	112.2	R76 K82 I84 L101 V108 N130	R76-H106 VanDerWaalsContact CZ-NE2 3.34Å; R76-H106 PolarHBondContact NE-CE1 3.13Å; R76-H106 PolarHBondContact NE-NE2 2.98Å; R76-H106 PolarHBondContact NH2-NE2 3.06Å; K82-H106 PolarHBondContact N-ND1 3.45Å; I84-H106 HydrophobicContact CD1-CB 3.75Å; I84-H106 HydrophobicContact CG1-CB 4.39Å; L101-H106 WeakPolarHBondContact O-CB 3.46Å; L101-H106 PolarHBondContact O-N 3.39Å; L101-H106 VanDerWaalsContact O-N 3.1Å; H106-V108 HydrophobicContact CB-CG2 4.34Å; H106-N130 WeakPolarHBondContact O-CB 3.38Å
107	E	98.6	Very high	97.8	Very high	70 Å²	70	23.6 Å²	23.6	33%	0.327	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	121.4	166.9	-81.5	160.5	-144.4	0	0	108.7	R81 K82 R83 I84 N130	R81-E107 WeakPolarHBondContact CD-OE1 3.3Å; R81-E107 IonicContact CZ-OE1 3.91Å; R81-E107 IonicContact NE-OE1 3.06Å; R81-E107 IonicContact NH1-OE1 3.39Å; R81-E107 PolarHBondContact NH1-OE1 2.73Å; K82-E107 PolarHBondContact O-N 3.08Å; R83-E107 CarbonylContact C-O 3.6Å; R83-E107 WeakPolarHBondContact CA-O 3.23Å; R83-E107 HydrophobicContact CG-CB 4.31Å; R83-E107 WeakPolarHBondContact CG-OE2 3.48Å; I84-E107 PolarHBondContact N-O 3.21Å; E107-N130 CarbonylContact C-O 3.58Å; E107-N130 WeakPolarHBondContact CA-O 3.21Å; E107-N130 HydrophobicContact CG-CB 4.07Å
108	V	98.8	Very high	97.5	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.006	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	124.2	-170.1	-177.8	0	0	0	0	110.4	I84 I86 V98 L101 M102 H106 N130 F131 E132	I84-V108 WeakPolarHBondContact O-CA 3.49Å; I86-V108 HydrophobicContact CD1-CG1 3.61Å; I86-V108 HydrophobicContact CG1-CG1 4.3Å; V98-V108 HydrophobicContact CG1-CG1 4.3Å; V98-V108 HydrophobicContact CG2-CG1 4.12Å; L101-V108 HydrophobicContact CB-CG2 3.79Å; M102-V108 HydrophobicContact CG-CB 4.23Å; M102-V108 HydrophobicContact CG-CG2 4.04Å; M102-V108 HydrophobicContact SD-CB 3.72Å; M102-V108 HydrophobicContact SD-CG2 3.72Å; H106-V108 HydrophobicContact CB-CG2 4.34Å; V108-N130 PolarHBondContact N-O 2.78Å; V108-F131 HydrophobicContact CB-CD2 4.27Å; V108-F131 HydrophobicContact CG1-CD2 4.41Å; V108-F131 HydrophobicContact CG1-CE2 4.46Å; V108-F131 WeakPolarHBondContact O-CA 3.49Å; V108-F131 WeakPolarHBondContact O-CD2 3.45Å; V108-E132 PolarHBondContact O-N 3.06Å
109	I	98.9	Very high	97.4	Very high	18 Å²	18	31.5 Å²	31.5	9%	0.092	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	111.5	172.6	-55.4	172.2	0	0	0	107.6	I84 L85 I86 E132 V134 V144 V146	I84-I109 PolarHBondContact O-N 2.71Å; L85-I109 HydrophobicContact CD1-CB 4.06Å; L85-I109 HydrophobicContact CD1-CG2 3.83Å; I86-I109 PolarHBondContact N-O 2.87Å; I109-E132 CarbonylContact C-O 3.59Å; I109-E132 WeakPolarHBondContact CA-O 3.47Å; I109-E132 HydrophobicContact CG1-CB 4.23Å; I109-E132 HydrophobicContact CG2-CB 4.45Å; I109-V134 HydrophobicContact CG2-CG2 3.78Å; I109-V144 HydrophobicContact CD1-CG2 3.63Å; I109-V146 HydrophobicContact CD1-CG1 4.09Å
110	A	98.8	Very high	97.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	113.2	172.5	0	0	0	0	0	109.5	V98 F131 E132 M133 V134	V98-A110 HydrophobicContact CG2-CB 4.17Å; A110-F131 HydrophobicContact CB-CE2 3.82Å; A110-F131 HydrophobicContact CB-CZ 3.83Å; A110-E132 PolarHBondContact N-O 3.22Å; A110-M133 HydrophobicContact CB-SD 3.66Å; A110-M133 VanDerWaalsContact O-SD 3.39Å; A110-V134 PolarHBondContact O-N 2.86Å
111	L	98.8	Very high	97.1	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	120.1	180	-174.5	148.8	0	0	0	109.7	L85 I86 T87 G88 V134 H136 V138 Y142	L85-L111 HydrophobicContact CD1-CB 3.78Å; L85-L111 HydrophobicContact CD1-CD1 4.23Å; I86-L111 PolarHBondContact O-N 3.27Å; T87-L111 CarbonylContact C-O 3.43Å; T87-L111 VanDerWaalsContact CA-O 3.31Å; T87-L111 WeakPolarHBondContact CA-O 3.33Å; T87-L111 HydrophobicContact CG2-CD2 4.22Å; G88-L111 PolarHBondContact N-O 3.35Å; L111-V134 WeakPolarHBondContact CA-O 3.43Å; L111-H136 HydrophobicContact CD1-CB 3.97Å; L111-H136 HydrophobicContact CD2-CB 4.15Å; L111-H136 HydrophobicContact CG-CB 3.89Å; L111-V138 HydrophobicContact CD2-CG1 3.66Å; L111-Y142 HydrophobicContact CD1-CD1 3.46Å; L111-Y142 VanDerWaalsContact CD1-CD1 3.46Å; L111-Y142 HydrophobicContact CD1-CD2 3.97Å; L111-Y142 HydrophobicContact CD1-CE1 3.68Å; L111-Y142 HydrophobicContact CD1-CE2 4.18Å; L111-Y142 HydrophobicContact CD1-CG 3.62Å
112	D	98.7	Very high	97	Very high	10 Å²	10	29.6 Å²	29.6	5%	0.053	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	146.2	-176.1	-151.4	-64.1	0	0	0	111.8	G88 A90 G91 Y114 M133 V134 H135 H136	G88-D112 VanDerWaalsContact CA-OD2 3.27Å; G88-D112 WeakPolarHBondContact CA-OD2 3.49Å; A90-D112 WeakPolarHBondContact CA-OD2 3.42Å; A90-D112 HydrophobicContact CB-CB 3.81Å; A90-D112 WeakPolarHBondContact CB-OD2 3.47Å; A90-D112 PolarHBondContact N-OD2 2.99Å; G91-D112 PolarHBondContact N-OD2 3.1Å; D112-Y114 WeakPolarHBondContact OD1-CA 3.45Å; D112-Y114 PolarHBondContact OD1-N 3.08Å; D112-M133 HydrophobicContact CB-CE 3.6Å; D112-V134 PolarHBondContact N-O 2.94Å; D112-H135 VanDerWaalsContact O-CA 3.31Å; D112-H135 WeakPolarHBondContact O-CA 3.17Å; D112-H135 PolarHBondContact O-CD2 2.9Å; D112-H136 CarbonylContact C-O 3.56Å; D112-H136 VanDerWaalsContact C-O 3.25Å; D112-H136 PolarHBondContact O-N 3.12Å; D112-H136 VanDerWaalsContact O-N 3.07Å
113	N	97.4	Very high	96.9	Very high	42 Å²	42	34 Å²	34	23%	0.225	16%	0.162	C	C	.	.			trans	-95.7	-1.2	174.3	71.2	-1.8	0	0	0	113.3	F115 H135 H136 D137	N113-F115 PolarHBondContact O-N 3.29Å; N113-F115 WeakPolarHBondContact OD1-CB 3.32Å; N113-F115 PolarHBondContact OD1-N 3.13Å; N113-H135 PolarHBondContact O-NE2 3.35Å; N113-H136 PolarHBondContact N-O 2.85Å; N113-D137 HydrophobicContact CB-CB 4.05Å; N113-D137 PolarHBondContact ND2-OD2 3.44Å
114	Y	96.6	Very high	96.8	Very high	52 Å²	52	33.2 Å²	33.2	20%	0.204	16%	0.156	C	C	.	.			trans	58.7	24	-175.7	-53.3	-69.5	0	0	0	114.9	A90 D112 T116 K119 M133 H135	A90-Y114 HydrophobicContact CB-CD1 4.16Å; A90-Y114 HydrophobicContact CB-CE1 3.82Å; D112-Y114 WeakPolarHBondContact OD1-CA 3.45Å; D112-Y114 PolarHBondContact OD1-N 3.08Å; Y114-T116 VanDerWaalsContact C-N 3.31Å; Y114-T116 PolarHBondContact O-N 3.1Å; Y114-K119 HydrophobicContact CE1-CB 3.89Å; Y114-M133 HydrophobicContact CE1-CE 3.69Å; Y114-M133 HydrophobicContact CE2-CE 4.32Å; Y114-M133 VanDerWaalsContact CZ-CE 3.45Å; Y114-M133 WeakPolarHBondContact OH-CE 3.46Å; Y114-M133 WeakPolarHBondContact OH-CG 3.25Å; Y114-H135 AromaticContact CD2-CD2 3.81Å; Y114-H135 AromaticContact CD2-CE1 3.97Å; Y114-H135 AromaticContact CD2-CG 3.98Å; Y114-H135 AromaticContact CD2-NE2 3.8Å; Y114-H135 HydrophobicContact CE2-CB 4.09Å; Y114-H135 AromaticContact CE2-CG 3.82Å
115	F	94.7	Very high	96.8	Very high	17 Å²	17	31.7 Å²	31.7	8%	0.075	15%	0.148	C	C	.	.	S	Bend	trans	-62	-41.8	176.9	-178.4	-113.7	0	0	0	111.7	N113 P155 Y163 K167	N113-F115 PolarHBondContact O-N 3.29Å; N113-F115 WeakPolarHBondContact OD1-CB 3.32Å; N113-F115 PolarHBondContact OD1-N 3.13Å; F115-P155 HydrophobicContact CD1-CB 4.38Å; F115-P155 HydrophobicContact CD1-CG 3.94Å; F115-P155 HydrophobicContact CE1-CB 4.2Å; F115-P155 HydrophobicContact CE1-CG 3.89Å; F115-Y163 HydrophobicContact CZ-CD1 4.36Å; F115-K167 HydrophobicContact CE2-CD 4.44Å
116	T	92.8	Very high	96.7	Very high	47 Å²	47	34.2 Å²	34.2	29%	0.288	16%	0.161	S	C	.	.	S	Bend	trans	-129	-18.9	171.3	57.8	0	0	0	0	113.3	Y114 H160	Y114-T116 VanDerWaalsContact C-N 3.31Å; Y114-T116 PolarHBondContact O-N 3.1Å; T116-H160 HydrophobicContact CG2-CB 4.03Å
117	G	94.3	Very high	96.6	Very high	5 Å²	5	36.3 Å²	36.3	5%	0.052	19%	0.186	C	C	.	.			trans	-73.3	167.2	172.3	0	0	0	0	0	112.6	A90	A90-G117 WeakPolarHBondContact O-CA 3.31Å
118	R	94	Very high	96.5	Very high	46 Å²	46	33.8 Å²	33.8	17%	0.174	17%	0.174	C	C	.	.			trans	-139.6	136.1	179.8	-59	-178.8	-172.2	169.9	2.4	110.7	A90 K120 N121 H260	A90-R118 PolarHBondContact O-N 2.95Å; R118-K120 PolarHBondContact O-N 2.75Å; R118-K120 VanDerWaalsContact O-N 3.13Å; R118-N121 WeakPolarHBondContact O-CB 3.49Å; R118-N121 PolarHBondContact O-N 3.26Å; R118-H260 PolarHBondContact NH2-CD2 3.32Å; R118-H260 PolarHBondContact NH2-NE2 2.88Å
119	K	95	Very high	96.3	Very high	121 Å²	121	39.2 Å²	39.2	53%	0.526	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-52.1	-38.1	175.9	-171.6	175.4	-178.3	176.9	0	112.8	Y114 N121 V122 E123 I126	Y114-K119 HydrophobicContact CE1-CB 3.89Å; K119-N121 PolarHBondContact O-N 2.91Å; K119-N121 VanDerWaalsContact O-N 3.1Å; K119-V122 PolarHBondContact O-N 3.29Å; K119-V122 VanDerWaalsContact O-N 3.08Å; K119-E123 PolarHBondContact O-N 2.91Å; K119-E123 VanDerWaalsContact O-N 3.08Å; K119-I126 HydrophobicContact CD-CD1 4.26Å; K119-I126 HydrophobicContact CG-CD1 3.96Å
120	K	94.4	Very high	96.3	Very high	60 Å²	60	39.5 Å²	39.5	26%	0.261	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-51.7	-31.9	176	-179.6	-177.9	171.3	-172.5	0	113.7	R118 V122 E123 E388	R118-K120 PolarHBondContact O-N 2.75Å; R118-K120 VanDerWaalsContact O-N 3.13Å; K120-V122 PolarHBondContact O-N 3.01Å; K120-E123 WeakPolarHBondContact O-CG 3.37Å; K120-E388 IonicContact NZ-OE1 2.79Å; K120-E388 PolarHBondContact NZ-OE1 2.77Å; K120-E388 IonicContact NZ-OE2 3.13Å; K120-E388 PolarHBondContact NZ-OE2 3.38Å
121	N	96.8	Very high	96.3	Very high	10 Å²	10	40.3 Å²	40.3	5%	0.053	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-67.6	-19	-177	-68.5	-16.3	0	0	0	113.2	A90 S95 R118 K119 H124	A90-N121 PolarHBondContact O-ND2 2.83Å; S95-N121 WeakPolarHBondContact CB-O 3.47Å; R118-N121 WeakPolarHBondContact O-CB 3.49Å; R118-N121 PolarHBondContact O-N 3.26Å; K119-N121 PolarHBondContact O-N 2.91Å; K119-N121 VanDerWaalsContact O-N 3.1Å; N121-H124 PolarHBondContact O-CE1 2.78Å
122	V	97.4	Very high	96.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131	8.9	-178.1	-62.5	0	0	0	0	112.7	G89 A90 V98 K119 K120 H124 W125 F131 M133	G89-V122 WeakPolarHBondContact O-CG1 3.46Å; A90-V122 HydrophobicContact CB-CG2 4.41Å; V98-V122 HydrophobicContact CB-CG1 4.41Å; V98-V122 HydrophobicContact CG1-CG1 4.27Å; V98-V122 HydrophobicContact CG2-CG1 4.33Å; K119-V122 PolarHBondContact O-N 3.29Å; K119-V122 VanDerWaalsContact O-N 3.08Å; K120-V122 PolarHBondContact O-N 3.01Å; V122-H124 PolarHBondContact O-N 3.04Å; V122-W125 PolarHBondContact O-N 2.81Å; V122-W125 VanDerWaalsContact O-N 3.08Å; V122-F131 HydrophobicContact CB-CZ 3.9Å; V122-F131 HydrophobicContact CG2-CZ 4.09Å; V122-M133 HydrophobicContact CG2-SD 3.8Å
123	E	95.8	Very high	96.2	Very high	93 Å²	93	46.6 Å²	46.6	44%	0.435	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-64.4	-26.8	-170.9	73	-173.3	178.4	0	0	113.7	K68 K119 K120 W125 I126	K68-E123 PolarHBondContact NZ-O 3.26Å; K119-E123 PolarHBondContact O-N 2.91Å; K119-E123 VanDerWaalsContact O-N 3.08Å; K120-E123 WeakPolarHBondContact O-CG 3.37Å; E123-W125 PolarHBondContact O-N 3.26Å; E123-I126 HydrophobicContact CB-CD1 4.41Å; E123-I126 PolarHBondContact O-N 3.07Å
124	H	95.9	Very high	96.3	Very high	57 Å²	57	45.7 Å²	45.7	26%	0.264	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-66	-21.9	177	52.4	-76.1	0	0	0	113	F70 D99 N121 V122	F70-H124 WeakPolarHBondContact CD1-O 3.29Å; D99-H124 IonicContact OD1-CD2 3.64Å; D99-H124 IonicContact OD1-CE1 3.63Å; D99-H124 PolarHBondContact OD1-CE1 3.44Å; D99-H124 IonicContact OD1-NE2 2.94Å; D99-H124 PolarHBondContact OD1-NE2 2.97Å; D99-H124 IonicContact OD2-NE2 3.85Å; N121-H124 PolarHBondContact O-CE1 2.78Å; V122-H124 PolarHBondContact O-N 3.04Å
125	W	97.7	Very high	96.4	Very high	3 Å²	3	49.6 Å²	49.6	1%	0.011	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-92.2	-16.1	175.9	-63.8	120.7	0	0	0	114.4	P71 V73 D99 M102 L103 V122 E123 G127 H128 F131	P71-W125 HydrophobicContact CB-CH2 3.67Å; P71-W125 HydrophobicContact CB-CZ2 4.38Å; P71-W125 HydrophobicContact CB-CZ3 4.12Å; P71-W125 HydrophobicContact CG-CH2 3.71Å; P71-W125 HydrophobicContact CG-CZ2 4.13Å; P71-W125 HydrophobicContact CG-CZ3 3.96Å; V73-W125 HydrophobicContact CG1-CH2 3.91Å; V73-W125 HydrophobicContact CG1-CZ3 3.77Å; D99-W125 PolarHBondContact OD1-NE1 3.28Å; M102-W125 HydrophobicContact CB-CD2 3.98Å; M102-W125 HydrophobicContact CB-CE3 4.2Å; M102-W125 HydrophobicContact CB-CH2 3.72Å; M102-W125 HydrophobicContact CB-CZ2 3.48Å; M102-W125 VanDerWaalsContact CB-CZ2 3.48Å; M102-W125 HydrophobicContact CB-CZ3 4.07Å; M102-W125 HydrophobicContact CE-CD2 3.98Å; M102-W125 HydrophobicContact CE-CE3 3.55Å; M102-W125 HydrophobicContact CE-CG 4.48Å; M102-W125 HydrophobicContact CE-CZ3 3.95Å; M102-W125 HydrophobicContact CG-CD2 3.9Å; M102-W125 HydrophobicContact CG-CE3 4.33Å; M102-W125 HydrophobicContact CG-CG 4.17Å; M102-W125 HydrophobicContact CG-CZ2 4.27Å; L103-W125 HydrophobicContact CD2-CH2 4.07Å; L103-W125 HydrophobicContact CD2-CZ2 4.43Å; L103-W125 HydrophobicContact CG-CH2 4.3Å; L103-W125 HydrophobicContact CG-CZ2 4.26Å; V122-W125 PolarHBondContact O-N 2.81Å; V122-W125 VanDerWaalsContact O-N 3.08Å; E123-W125 PolarHBondContact O-N 3.26Å; W125-G127 PolarHBondContact O-N 2.89Å; W125-G127 VanDerWaalsContact O-N 3.17Å; W125-H128 HydrophobicContact CE3-CB 4.45Å; W125-H128 WeakPolarHBondContact O-CB 3.36Å; W125-H128 PolarHBondContact O-N 3.3Å; W125-F131 VanDerWaalsContact C-CD1 3.48Å; W125-F131 HydrophobicContact CB-CB 4Å; W125-F131 HydrophobicContact CB-CD1 3.43Å; W125-F131 VanDerWaalsContact CB-CD1 3.43Å; W125-F131 HydrophobicContact CB-CD2 3.94Å; W125-F131 HydrophobicContact CB-CE1 3.79Å; W125-F131 HydrophobicContact CB-CE2 4.29Å; W125-F131 HydrophobicContact CB-CG 3.5Å; W125-F131 VanDerWaalsContact CB-CG 3.5Å; W125-F131 HydrophobicContact CB-CZ 4.22Å; W125-F131 HydrophobicContact CG-CG 4.45Å; W125-F131 WeakPolarHBondContact O-CD1 3.35Å
126	I	96.6	Very high	96.6	Very high	53 Å²	53	50.7 Å²	50.7	27%	0.272	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	122.2	-177.1	-63	176.8	0	0	0	110.3	K68 K119 E123 F131	K68-I126 PolarHBondContact NZ-O 3.32Å; K119-I126 HydrophobicContact CD-CD1 4.26Å; K119-I126 HydrophobicContact CG-CD1 3.96Å; E123-I126 HydrophobicContact CB-CD1 4.41Å; E123-I126 PolarHBondContact O-N 3.07Å; I126-F131 HydrophobicContact CG1-CE1 4.06Å
127	G	95.8	Very high	96.8	Very high	57 Å²	57	50 Å²	50	59%	0.588	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.2	-7.7	-175.9	0	0	0	0	0	114.4	W125	W125-G127 PolarHBondContact O-N 2.89Å; W125-G127 VanDerWaalsContact O-N 3.17Å
128	H	97.3	Very high	97	Very high	17 Å²	17	50 Å²	50	8%	0.079	26%	0.259	C	S	.	.			trans	-70.9	137.1	172.3	-173.9	-80.8	0	0	0	109.5	F70 M102 W125 N130 F131	F70-H128 HydrophobicContact CD1-CB 3.81Å; F70-H128 HydrophobicContact CD2-CB 4.44Å; F70-H128 AromaticContact CD2-CD2 3.95Å; F70-H128 HydrophobicContact CE1-CB 3.83Å; F70-H128 HydrophobicContact CE2-CB 4.46Å; F70-H128 HydrophobicContact CG-CB 4.13Å; F70-H128 AromaticContact CG-CD2 3.66Å; F70-H128 HydrophobicContact CZ-CB 4.18Å; F70-H128 VanDerWaalsContact CZ-N 3.32Å; M102-H128 HydrophobicContact CE-CB 4.29Å; M102-H128 VanDerWaalsContact CE-ND1 3.32Å; M102-H128 WeakPolarHBondContact CE-ND1 3.35Å; W125-H128 HydrophobicContact CE3-CB 4.45Å; W125-H128 WeakPolarHBondContact O-CB 3.36Å; W125-H128 PolarHBondContact O-N 3.3Å; H128-N130 PolarHBondContact ND1-N 3.29Å; H128-N130 PolarHBondContact O-N 2.88Å; H128-N130 VanDerWaalsContact O-N 3.13Å; H128-F131 HydrophobicContact CB-CB 4.18Å; H128-F131 PolarHBondContact O-N 3.08Å
129	P	95.6	Very high	97.3	Very high	115 Å²	115	49.8 Å²	49.8	75%	0.747	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-29.8	-174.3	21.8	-34.7	0	0	0	114.3
130	N	97.5	Very high	97.4	Very high	23 Å²	23	48.2 Å²	48.2	12%	0.123	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	7.2	178.6	-59.6	-3.7	0	0	0	114.1	R81 M102 H106 E107 V108 H128	R81-N130 PolarHBondContact NH1-OD1 3.18Å; M102-N130 HydrophobicContact CE-CB 4.18Å; H106-N130 WeakPolarHBondContact O-CB 3.38Å; E107-N130 CarbonylContact C-O 3.58Å; E107-N130 WeakPolarHBondContact CA-O 3.21Å; E107-N130 HydrophobicContact CG-CB 4.07Å; V108-N130 PolarHBondContact N-O 2.78Å; H128-N130 PolarHBondContact ND1-N 3.29Å; H128-N130 PolarHBondContact O-N 2.88Å; H128-N130 VanDerWaalsContact O-N 3.13Å
131	F	98.6	Very high	97.6	Very high	18 Å²	18	48.9 Å²	48.9	8%	0.079	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	130.8	-176	-176.4	-106	0	0	0	112.8	V98 M102 V108 A110 V122 W125 I126 H128 M133	V98-F131 HydrophobicContact CG1-CD2 4.12Å; V98-F131 HydrophobicContact CG1-CE2 3.55Å; V98-F131 HydrophobicContact CG1-CZ 4.37Å; M102-F131 HydrophobicContact CE-CB 3.68Å; M102-F131 HydrophobicContact CG-CD2 4.35Å; M102-F131 HydrophobicContact SD-CB 3.88Å; M102-F131 HydrophobicContact SD-CD2 3.98Å; M102-F131 HydrophobicContact SD-CG 4.38Å; V108-F131 HydrophobicContact CB-CD2 4.27Å; V108-F131 HydrophobicContact CG1-CD2 4.41Å; V108-F131 HydrophobicContact CG1-CE2 4.46Å; V108-F131 WeakPolarHBondContact O-CA 3.49Å; V108-F131 WeakPolarHBondContact O-CD2 3.45Å; A110-F131 HydrophobicContact CB-CE2 3.82Å; A110-F131 HydrophobicContact CB-CZ 3.83Å; V122-F131 HydrophobicContact CB-CZ 3.9Å; V122-F131 HydrophobicContact CG2-CZ 4.09Å; W125-F131 VanDerWaalsContact C-CD1 3.48Å; W125-F131 HydrophobicContact CB-CB 4Å; W125-F131 HydrophobicContact CB-CD1 3.43Å; W125-F131 VanDerWaalsContact CB-CD1 3.43Å; W125-F131 HydrophobicContact CB-CD2 3.94Å; W125-F131 HydrophobicContact CB-CE1 3.79Å; W125-F131 HydrophobicContact CB-CE2 4.29Å; W125-F131 HydrophobicContact CB-CG 3.5Å; W125-F131 VanDerWaalsContact CB-CG 3.5Å; W125-F131 HydrophobicContact CB-CZ 4.22Å; W125-F131 HydrophobicContact CG-CG 4.45Å; W125-F131 WeakPolarHBondContact O-CD1 3.35Å; I126-F131 HydrophobicContact CG1-CE1 4.06Å; H128-F131 HydrophobicContact CB-CB 4.18Å; H128-F131 PolarHBondContact O-N 3.08Å; F131-M133 HydrophobicContact CE1-CB 3.95Å; F131-M133 HydrophobicContact CZ-CB 4.28Å
132	E	98.6	Very high	97.7	Very high	101 Å²	101	50.3 Å²	50.3	47%	0.472	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	133.5	172.4	-167.3	-179	178.9	0	0	110.5	V108 I109 A110 V134	V108-E132 PolarHBondContact O-N 3.06Å; I109-E132 CarbonylContact C-O 3.59Å; I109-E132 WeakPolarHBondContact CA-O 3.47Å; I109-E132 HydrophobicContact CG1-CB 4.23Å; I109-E132 HydrophobicContact CG2-CB 4.45Å; A110-E132 PolarHBondContact N-O 3.22Å; E132-V134 HydrophobicContact CG-CG2 3.92Å
133	M	98.3	Very high	97.7	Very high	42 Å²	42	57.5 Å²	57.5	21%	0.207	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	120.8	171.7	-177.4	66.2	-150.3	0	0	109.4	A90 A110 D112 Y114 V122 F131	A90-M133 HydrophobicContact CB-CE 3.95Å; A110-M133 HydrophobicContact CB-SD 3.66Å; A110-M133 VanDerWaalsContact O-SD 3.39Å; D112-M133 HydrophobicContact CB-CE 3.6Å; Y114-M133 HydrophobicContact CE1-CE 3.69Å; Y114-M133 HydrophobicContact CE2-CE 4.32Å; Y114-M133 VanDerWaalsContact CZ-CE 3.45Å; Y114-M133 WeakPolarHBondContact OH-CE 3.46Å; Y114-M133 WeakPolarHBondContact OH-CG 3.25Å; V122-M133 HydrophobicContact CG2-SD 3.8Å; F131-M133 HydrophobicContact CE1-CB 3.95Å; F131-M133 HydrophobicContact CZ-CB 4.28Å
134	V	98.5	Very high	97.8	Very high	23 Å²	23	54.3 Å²	54.3	14%	0.139	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	120	-176.7	-175.7	0	0	0	0	109.7	I109 A110 L111 D112 E132 H136 Y142	I109-V134 HydrophobicContact CG2-CG2 3.78Å; A110-V134 PolarHBondContact O-N 2.86Å; L111-V134 WeakPolarHBondContact CA-O 3.43Å; D112-V134 PolarHBondContact N-O 2.94Å; E132-V134 HydrophobicContact CG-CG2 3.92Å; V134-H136 HydrophobicContact CG1-CB 3.96Å; V134-H136 PolarHBondContact O-N 3.45Å; V134-Y142 HydrophobicContact CG1-CE2 3.96Å
135	H	98.4	Very high	97.9	Very high	133 Å²	133	56.4 Å²	56.4	62%	0.616	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82	98.1	171.9	-171.5	178.2	0	0	0	109.3	D112 N113 Y114	D112-H135 VanDerWaalsContact O-CA 3.31Å; D112-H135 WeakPolarHBondContact O-CA 3.17Å; D112-H135 PolarHBondContact O-CD2 2.9Å; N113-H135 PolarHBondContact O-NE2 3.35Å; Y114-H135 AromaticContact CD2-CD2 3.81Å; Y114-H135 AromaticContact CD2-CE1 3.97Å; Y114-H135 AromaticContact CD2-CG 3.98Å; Y114-H135 AromaticContact CD2-NE2 3.8Å; Y114-H135 HydrophobicContact CE2-CB 4.09Å; Y114-H135 AromaticContact CE2-CG 3.82Å
136	H	98.6	Very high	98	Very high	41 Å²	41	56.3 Å²	56.3	19%	0.19	30%	0.304	C	S	.	.			trans	-150.9	146.6	-176.9	-174.1	91.4	0	0	0	111.6	L111 D112 N113 V134 N140 P141	L111-H136 HydrophobicContact CD1-CB 3.97Å; L111-H136 HydrophobicContact CD2-CB 4.15Å; L111-H136 HydrophobicContact CG-CB 3.89Å; D112-H136 CarbonylContact C-O 3.56Å; D112-H136 VanDerWaalsContact C-O 3.25Å; D112-H136 PolarHBondContact O-N 3.12Å; D112-H136 VanDerWaalsContact O-N 3.07Å; N113-H136 PolarHBondContact N-O 2.85Å; V134-H136 HydrophobicContact CG1-CB 3.96Å; V134-H136 PolarHBondContact O-N 3.45Å; H136-N140 PolarHBondContact NE2-O 2.86Å; H136-P141 PolarHBondContact CE1-O 2.72Å; H136-P141 VanDerWaalsContact CE1-O 3.31Å; H136-P141 PolarHBondContact NE2-O 2.72Å
137	D	98.6	Very high	98.1	Very high	33 Å²	33	56.6 Å²	56.6	18%	0.176	31%	0.306	C	S	.	.			trans	-99.7	124.1	174.5	-162.9	-39.2	0	0	0	110.2	N113 V139 N140	N113-D137 HydrophobicContact CB-CB 4.05Å; N113-D137 PolarHBondContact ND2-OD2 3.44Å; D137-V139 HydrophobicContact CB-CG2 4.21Å; D137-V139 PolarHBondContact O-N 2.78Å; D137-V139 WeakPolarHBondContact OD1-CG2 3.39Å; D137-V139 PolarHBondContact OD1-N 3.33Å; D137-N140 WeakPolarHBondContact O-CB 3.41Å; D137-N140 PolarHBondContact O-N 2.79Å
138	V	98.6	Very high	98.2	Very high	5 Å²	5	54.4 Å²	54.4	3%	0.03	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-19.4	-176.1	-67.2	0	0	0	0	113.8	T87 L111 N140 A153 T171 G175 N178	T87-V138 HydrophobicContact CG2-CG1 3.8Å; L111-V138 HydrophobicContact CD2-CG1 3.66Å; V138-N140 PolarHBondContact O-N 2.92Å; V138-A153 HydrophobicContact CG1-CB 3.81Å; V138-A153 HydrophobicContact CG2-CB 3.97Å; V138-T171 HydrophobicContact CG2-CG2 3.91Å; V138-G175 WeakPolarHBondContact O-CA 3.5Å; V138-N178 PolarHBondContact O-ND2 3.43Å
139	V	98.5	Very high	98.3	Very high	41 Å²	41	53.6 Å²	53.6	25%	0.248	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-20.1	173.3	-56.6	0	0	0	0	112.6	D137 K170 N178	D137-V139 HydrophobicContact CB-CG2 4.21Å; D137-V139 PolarHBondContact O-N 2.78Å; D137-V139 WeakPolarHBondContact OD1-CG2 3.39Å; D137-V139 PolarHBondContact OD1-N 3.33Å; V139-K170 HydrophobicContact CG1-CB 4.19Å; V139-N178 PolarHBondContact O-ND2 2.84Å
140	N	98.5	Very high	98.5	Very high	87 Å²	87	48.1 Å²	48.1	47%	0.465	24%	0.241	S	C	.	.	S	Bend	trans	-96.8	141.7	172.9	-57.4	-53.4	0	0	0	110.3	H136 D137 V138	H136-N140 PolarHBondContact NE2-O 2.86Å; D137-N140 WeakPolarHBondContact O-CB 3.41Å; D137-N140 PolarHBondContact O-N 2.79Å; V138-N140 PolarHBondContact O-N 2.92Å
141	P	98	Very high	98.5	Very high	75 Å²	75	47.2 Å²	47.2	49%	0.487	24%	0.236	S	C	.	.			trans	-54.3	142.1	174.1	-27.5	36.2	0	0	0	112.7	H136 F143	H136-P141 PolarHBondContact CE1-O 2.72Å; H136-P141 VanDerWaalsContact CE1-O 3.31Å; H136-P141 PolarHBondContact NE2-O 2.72Å; P141-F143 HydrophobicContact CB-CE2 3.68Å; P141-F143 HydrophobicContact CB-CZ 4.15Å
142	Y	98.4	Very high	98.6	Very high	39 Å²	39	47.5 Å²	47.5	15%	0.153	24%	0.238	C	C	.	.			trans	-132.8	132.9	176	-174.8	-113.3	0	0	0	109.5	L85 L111 V134 V144	L85-Y142 HydrophobicContact CD1-CE1 4.29Å; L85-Y142 HydrophobicContact CD2-CD1 4.36Å; L111-Y142 HydrophobicContact CD1-CD1 3.46Å; L111-Y142 VanDerWaalsContact CD1-CD1 3.46Å; L111-Y142 HydrophobicContact CD1-CD2 3.97Å; L111-Y142 HydrophobicContact CD1-CE1 3.68Å; L111-Y142 HydrophobicContact CD1-CE2 4.18Å; L111-Y142 HydrophobicContact CD1-CG 3.62Å; V134-Y142 HydrophobicContact CG1-CE2 3.96Å; Y142-V144 HydrophobicContact CD1-CB 4.33Å; Y142-V144 HydrophobicContact CD1-CG1 3.85Å; Y142-V144 HydrophobicContact CE1-CB 3.7Å; Y142-V144 HydrophobicContact CE1-CG1 3.44Å; Y142-V144 VanDerWaalsContact CE1-CG1 3.44Å
143	F	98.1	Very high	98.5	Very high	151 Å²	151	43.3 Å²	43.3	66%	0.662	22%	0.221	S	C	*	.			trans	-118.7	107	-172.9	-63	-99.9	0	0	0	109.7	P141	P141-F143 HydrophobicContact CB-CE2 3.68Å; P141-F143 HydrophobicContact CB-CZ 4.15Å
144	V	98.4	Very high	98.5	Very high	27 Å²	27	42.3 Å²	42.3	16%	0.164	22%	0.218	C	C	.	.			trans	-145.9	156.3	174.6	66.9	0	0	0	0	110.6	L85 I109 Y142 V146 L182 R185	L85-V144 HydrophobicContact CD2-CG1 4.37Å; I109-V144 HydrophobicContact CD1-CG2 3.63Å; Y142-V144 HydrophobicContact CD1-CB 4.33Å; Y142-V144 HydrophobicContact CD1-CG1 3.85Å; Y142-V144 HydrophobicContact CE1-CB 3.7Å; Y142-V144 HydrophobicContact CE1-CG1 3.44Å; Y142-V144 VanDerWaalsContact CE1-CG1 3.44Å; V144-V146 HydrophobicContact CG1-CG1 3.83Å; V144-V146 HydrophobicContact CG1-CG2 4.25Å; V144-V146 HydrophobicContact CG2-CG1 4.15Å; V144-L182 HydrophobicContact CG1-CD2 4.15Å; V144-L182 WeakPolarHBondContact O-CD1 3.44Å; V144-R185 PolarHBondContact O-NH2 3.33Å; V144-R185 VanDerWaalsContact O-NH2 3.15Å
145	E	98.4	Very high	98.2	Very high	101 Å²	101	41.5 Å²	41.5	47%	0.472	21%	0.213	S	C	.	.			trans	-94.6	112.4	174.1	-63.6	-57.7	130.6	0	0	110.1	R83 R185 V186	R83-E145 PolarHBondContact NH1-O 3.27Å; E145-R185 IonicContact OE1-NH2 2.69Å; E145-V186 WeakPolarHBondContact OE1-CG1 3.46Å; E145-V186 WeakPolarHBondContact OE2-CG1 3.2Å
146	V	98.6	Very high	97.6	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	20%	0.204	C	C	.	.			trans	-142.9	156.4	-176.1	-68.9	0	0	0	0	111.4	R83 L85 I109 V144 I149 V186 A188	R83-V146 HydrophobicContact CB-CB 4.44Å; R83-V146 HydrophobicContact CB-CG1 4.26Å; L85-V146 HydrophobicContact CB-CG1 4.16Å; L85-V146 HydrophobicContact CB-CG2 4.24Å; I109-V146 HydrophobicContact CD1-CG1 4.09Å; V144-V146 HydrophobicContact CG1-CG1 3.83Å; V144-V146 HydrophobicContact CG1-CG2 4.25Å; V144-V146 HydrophobicContact CG2-CG1 4.15Å; V146-I149 HydrophobicContact CG2-CD1 4.27Å; V146-I149 HydrophobicContact CG2-CG1 3.87Å; V146-V186 HydrophobicContact CG2-CG2 4.25Å; V146-V186 WeakPolarHBondContact O-CG2 3.46Å; V146-A188 HydrophobicContact CG2-CB 4.43Å
147	D	98.7	Very high	97	Very high	59 Å²	59	35.8 Å²	35.8	32%	0.316	20%	0.196	S	C	.	.	S	Bend	trans	-98.3	-28.6	-178	-43.1	-51.5	0	0	0	111.4	K82 R83 A188 T189	K82-D147 WeakPolarHBondContact CA-OD2 3.39Å; R83-D147 IonicContact CZ-OD1 3.79Å; R83-D147 PolarHBondContact N-OD2 3.22Å; R83-D147 IonicContact NE-OD1 3.91Å; R83-D147 IonicContact NE-OD2 3.28Å; R83-D147 IonicContact NH2-OD1 3.97Å; R83-D147 PolarHBondContact NH2-OD1 3.38Å; R83-D147 PolarHBondContact O-N 3.26Å; D147-A188 WeakPolarHBondContact O-CA 3.42Å; D147-T189 PolarHBondContact O-N 3.44Å
148	Q	98.9	Very high	96.5	Very high	11 Å²	11	35.7 Å²	35.7	5%	0.051	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	142.7	-179.9	-66.6	-175.7	-21.9	0	0	111.9	K82 R83 I84 L85 Y150 T189 M306 N307	K82-Q148 HydrophobicContact CD-CG 4.4Å; R83-Q148 PolarHBondContact O-N 3.46Å; I84-Q148 WeakPolarHBondContact CA-O 3.4Å; I84-Q148 HydrophobicContact CG1-CB 4.37Å; I84-Q148 HydrophobicContact CG2-CB 4.31Å; L85-Q148 PolarHBondContact N-O 2.93Å; Q148-Y150 HydrophobicContact CB-CE2 4.47Å; Q148-T189 CarbonylContact C-O 3.42Å; Q148-T189 WeakPolarHBondContact CA-O 3.03Å; Q148-M306 HydrophobicContact CB-CE 4.16Å; Q148-M306 HydrophobicContact CB-SD 4.17Å; Q148-M306 VanDerWaalsContact CD-CG 3.45Å; Q148-M306 HydrophobicContact CG-CG 4.19Å; Q148-M306 HydrophobicContact CG-SD 4.02Å; Q148-N307 PolarHBondContact NE2-OD1 2.86Å; Q148-N307 VanDerWaalsContact NE2-OD1 3.12Å
149	I	98.9	Very high	95.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	115.6	176	-55.7	175.1	0	0	0	109.1	L85 V146 M179 L182 A183 A188 T189 V190 L191 M306	L85-I149 HydrophobicContact CB-CG1 4.27Å; L85-I149 HydrophobicContact CD2-CG1 4.38Å; L85-I149 HydrophobicContact CD2-CG2 4.23Å; L85-I149 HydrophobicContact CG-CG2 4.45Å; L85-I149 CarbonylContact O-C 3.55Å; L85-I149 WeakPolarHBondContact O-CA 3.17Å; V146-I149 HydrophobicContact CG2-CD1 4.27Å; V146-I149 HydrophobicContact CG2-CG1 3.87Å; I149-M179 HydrophobicContact CG2-SD 4.36Å; I149-L182 HydrophobicContact CD1-CB 4.39Å; I149-L182 HydrophobicContact CD1-CD2 3.92Å; I149-L182 HydrophobicContact CD1-CG 3.95Å; I149-A183 HydrophobicContact CD1-CB 4.04Å; I149-A188 HydrophobicContact CD1-CB 4.09Å; I149-A188 HydrophobicContact CG1-CB 4.04Å; I149-T189 PolarHBondContact N-O 3.25Å; I149-V190 HydrophobicContact CB-CB 4.25Å; I149-V190 HydrophobicContact CB-CG2 4.11Å; I149-V190 HydrophobicContact CG2-CG2 4.19Å; I149-V190 CarbonylContact O-C 3.25Å; I149-V190 WeakPolarHBondContact O-CA 3.37Å; I149-L191 PolarHBondContact O-N 2.98Å; I149-M306 VanDerWaalsContact O-CE 3.31Å; I149-M306 WeakPolarHBondContact O-CE 3.39Å
150	Y	98.9	Very high	95.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	103.7	167	-67.9	-99	0	0	0	108.8	I84 L85 I86 T87 L97 L101 Q148 L152 L191 L302 M306	I84-Y150 HydrophobicContact CG2-CD2 3.51Å; I84-Y150 HydrophobicContact CG2-CE2 3.6Å; L85-Y150 PolarHBondContact O-N 3.19Å; I86-Y150 WeakPolarHBondContact CA-O 3.5Å; I86-Y150 HydrophobicContact CG1-CD2 4.47Å; T87-Y150 PolarHBondContact N-O 3.33Å; L97-Y150 HydrophobicContact CD1-CE1 4.32Å; L97-Y150 HydrophobicContact CD2-CD1 3.59Å; L97-Y150 HydrophobicContact CD2-CD2 4.32Å; L97-Y150 HydrophobicContact CD2-CE1 4.15Å; L97-Y150 HydrophobicContact CD2-CG 3.67Å; L101-Y150 HydrophobicContact CD1-CD2 4.44Å; L101-Y150 HydrophobicContact CD1-CE2 4.03Å; Q148-Y150 HydrophobicContact CB-CE2 4.47Å; Y150-L152 PolarHBondContact O-N 3.44Å; Y150-L191 HydrophobicContact CD1-CB 4.31Å; Y150-L191 HydrophobicContact CD1-CD1 4.34Å; Y150-L191 HydrophobicContact CD1-CD2 4.32Å; Y150-L191 HydrophobicContact CE1-CD1 4.27Å; Y150-L302 HydrophobicContact CE1-CB 4.35Å; Y150-M306 HydrophobicContact CD1-CE 3.87Å; Y150-M306 HydrophobicContact CD2-CE 3.7Å; Y150-M306 HydrophobicContact CE1-CB 3.69Å; Y150-M306 HydrophobicContact CE1-CE 3.83Å; Y150-M306 HydrophobicContact CE1-CG 4.09Å; Y150-M306 HydrophobicContact CE2-CB 4.46Å; Y150-M306 HydrophobicContact CE2-CE 3.64Å; Y150-M306 HydrophobicContact CE2-CG 3.99Å; Y150-M306 HydrophobicContact CG-CE 3.82Å; Y150-M306 WeakPolarHBondContact OH-CB 3.36Å; Y150-M306 VanDerWaalsContact OH-CG 3.27Å; Y150-M306 WeakPolarHBondContact OH-CG 3.43Å
151	H	98.9	Very high	94.9	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.019	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	85.9	-176.8	-171.1	37.1	0	0	0	111.3	T87 T176 V190 L191 A193	T87-H151 VanDerWaalsContact OG1-CA 3.3Å; T87-H151 WeakPolarHBondContact OG1-CA 3.48Å; T87-H151 PolarHBondContact OG1-ND1 3.2Å; H151-T176 PolarHBondContact CD2-OG1 3.01Å; H151-T176 WeakPolarHBondContact NE2-CA 3.13Å; H151-T176 PolarHBondContact NE2-OG1 3.36Å; H151-V190 HydrophobicContact CB-CG2 4.49Å; H151-L191 WeakPolarHBondContact CB-O 3.29Å; H151-L191 PolarHBondContact N-O 3.39Å; H151-A193 WeakPolarHBondContact O-CB 3.37Å; H151-A193 PolarHBondContact O-N 3.48Å; H151-A193 VanDerWaalsContact O-N 3.09Å
152	L	98.8	Very high	94.5	Very high	23 Å²	23	33.8 Å²	33.8	12%	0.12	18%	0.182	C	C	.	.			trans	-103.7	-3.6	179.5	-76.7	63.8	0	0	0	113.8	T87 V93 L97 Y150 S154 A193	T87-L152 CarbonylContact O-C 3.49Å; T87-L152 VanDerWaalsContact O-C 3.31Å; T87-L152 VanDerWaalsContact O-CA 3.28Å; T87-L152 WeakPolarHBondContact O-CA 3.38Å; T87-L152 VanDerWaalsContact O-CB 3.25Å; T87-L152 WeakPolarHBondContact O-CB 3.42Å; T87-L152 PolarHBondContact O-N 3.42Å; T87-L152 PolarHBondContact OG1-N 3Å; V93-L152 HydrophobicContact CB-CD2 4.19Å; V93-L152 HydrophobicContact CG1-CD2 3.87Å; L97-L152 HydrophobicContact CD2-CD1 4.44Å; L97-L152 HydrophobicContact CD2-CD2 4.31Å; Y150-L152 PolarHBondContact O-N 3.44Å; L152-S154 PolarHBondContact O-N 2.6Å; L152-A193 HydrophobicContact CB-CB 4.34Å; L152-A193 HydrophobicContact CD1-CB 4.04Å; L152-A193 HydrophobicContact CG-CB 3.76Å
153	A	98.2	Very high	94.3	Very high	14 Å²	14	38.4 Å²	38.4	12%	0.116	20%	0.201	C	C	.	.			trans	-67.6	103.6	-176.4	0	0	0	0	0	111.7	T87 V138 T171	T87-A153 PolarHBondContact O-N 3.08Å; T87-A153 WeakPolarHBondContact OG1-CB 3.36Å; T87-A153 PolarHBondContact OG1-N 2.8Å; V138-A153 HydrophobicContact CG1-CB 3.81Å; V138-A153 HydrophobicContact CG2-CB 3.97Å; A153-T171 WeakPolarHBondContact O-CG2 3.24Å
154	S	97.1	Very high	94	Very high	20 Å²	20	33.7 Å²	33.7	14%	0.14	18%	0.183	C	C	.	.	S	Bend	trans	-169.6	141.4	171.9	-164.6	0	0	0	0	109.3	L152 A156 N172	L152-S154 PolarHBondContact O-N 2.6Å; S154-A156 PolarHBondContact O-N 3.17Å; S154-N172 WeakPolarHBondContact CB-OD1 3.33Å; S154-N172 VanDerWaalsContact OG-CG 3.29Å; S154-N172 PolarHBondContact OG-ND2 3.24Å; S154-N172 PolarHBondContact OG-OD1 2.72Å
155	P	91.8	Very high	93.9	Very high	6 Å²	6	35.1 Å²	35.1	4%	0.039	19%	0.192	C	C	.	.			trans	-63.5	127.4	166.7	-11.2	25.7	0	0	0	109.3	F115 H160 Y224	F115-P155 HydrophobicContact CD1-CB 4.38Å; F115-P155 HydrophobicContact CD1-CG 3.94Å; F115-P155 HydrophobicContact CE1-CB 4.2Å; F115-P155 HydrophobicContact CE1-CG 3.89Å; P155-H160 HydrophobicContact CB-CB 4.38Å; P155-Y224 WeakPolarHBondContact O-CD2 3.44Å; P155-Y224 VanDerWaalsContact O-CE2 3.25Å; P155-Y224 WeakPolarHBondContact O-CE2 3.34Å
156	A	86.3	Confident	93.9	Very high	53 Å²	53	34.6 Å²	34.6	44%	0.438	20%	0.196	S	C	.	.			trans	-111.9	-15.3	-165.9	0	0	0	0	0	115.4	S154	S154-A156 PolarHBondContact O-N 3.17Å
157	S	87	Confident	93.7	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.007	20%	0.204	C	C	.	.	S	Bend	trans	-103.7	145.3	179.2	77.3	0	0	0	0	111.9	H160 Y161 D263	S157-H160 PolarHBondContact O-N 2.74Å; S157-H160 PolarHBondContact OG-ND1 3.49Å; S157-Y161 WeakPolarHBondContact O-CD1 3.16Å; S157-Y161 PolarHBondContact O-N 3.27Å; S157-D263 WeakPolarHBondContact CB-O 3.25Å; S157-D263 PolarHBondContact OG-O 3.4Å
158	P	87	Confident	93.7	Very high	31 Å²	31	33.7 Å²	33.7	20%	0.201	19%	0.189	C	C	.	.	H	α-helix	trans	-51.5	-48	-175.4	-22.3	29.1	0	0	0	115	H160 Y161 M162	P158-H160 PolarHBondContact O-N 3.05Å; P158-Y161 HydrophobicContact CB-CE1 4.1Å; P158-Y161 HydrophobicContact CB-CE2 4.38Å; P158-Y161 WeakPolarHBondContact CB-OH 3.27Å; P158-Y161 HydrophobicContact CG-CE1 4.04Å; P158-Y161 WeakPolarHBondContact CG-OH 3.27Å; P158-Y161 VanDerWaalsContact N-CE1 3.3Å; P158-M162 HydrophobicContact CB-SD 4.26Å; P158-M162 WeakPolarHBondContact O-CB 3.25Å; P158-M162 WeakPolarHBondContact O-CG 3.33Å; P158-M162 PolarHBondContact O-N 3.18Å
159	P	86.9	Confident	93.6	Very high	69 Å²	69	37 Å²	37	45%	0.448	21%	0.206	S	C	.	.	H	α-helix	trans	-58.4	-36	177.4	-24.2	35.2	0	0	0	113	Y163	P159-Y163 VanDerWaalsContact O-CB 3.31Å; P159-Y163 WeakPolarHBondContact O-CB 3.28Å; P159-Y163 PolarHBondContact O-N 3.48Å
160	H	87.1	Confident	93.6	Very high	17 Å²	17	42.2 Å²	42.2	8%	0.079	23%	0.229	C	C	.	.	H	α-helix	trans	-81.2	-41.5	-175.6	-64.1	150.3	0	0	0	113.7	T116 P155 S157 P158	T116-H160 HydrophobicContact CG2-CB 4.03Å; P155-H160 HydrophobicContact CB-CB 4.38Å; S157-H160 PolarHBondContact O-N 2.74Å; S157-H160 PolarHBondContact OG-ND1 3.49Å; P158-H160 PolarHBondContact O-N 3.05Å
161	Y	88.6	Confident	93.6	Very high	3 Å²	3	42.6 Å²	42.6	1%	0.012	23%	0.231	C	C	.	.	H	α-helix	trans	-77.7	-28.4	179.7	63.2	-116.8	0	0	0	112.5	S157 P158 Y163 T168 R221 Y224	S157-Y161 WeakPolarHBondContact O-CD1 3.16Å; S157-Y161 PolarHBondContact O-N 3.27Å; P158-Y161 HydrophobicContact CB-CE1 4.1Å; P158-Y161 HydrophobicContact CB-CE2 4.38Å; P158-Y161 WeakPolarHBondContact CB-OH 3.27Å; P158-Y161 HydrophobicContact CG-CE1 4.04Å; P158-Y161 WeakPolarHBondContact CG-OH 3.27Å; P158-Y161 VanDerWaalsContact N-CE1 3.3Å; Y161-Y163 VanDerWaalsContact C-N 3.35Å; Y161-T168 WeakPolarHBondContact CA-OG1 3.3Å; Y161-T168 PolarHBondContact O-OG1 3.23Å; Y161-R221 HydrophobicContact CE2-CB 4.42Å; Y161-R221 HydrophobicContact CE2-CG 4.5Å; Y161-R221 PolarHBondContact OH-NE 3.04Å; Y161-R221 PolarHBondContact OH-NH1 2.92Å; Y161-R221 PolarHBondContact OH-NH2 3.48Å; Y161-R221 VanDerWaalsContact OH-NH2 3.08Å; Y161-Y224 HydrophobicContact CD1-CD1 4.4Å; Y161-Y224 AromaticContact CD1-CD2 3.89Å; Y161-Y224 HydrophobicContact CD1-CD2 3.89Å; Y161-Y224 HydrophobicContact CD1-CE2 4.47Å; Y161-Y224 AromaticContact CD1-CG 3.86Å; Y161-Y224 HydrophobicContact CD1-CG 3.86Å; Y161-Y224 HydrophobicContact CD2-CG 4.34Å; Y161-Y224 HydrophobicContact CE1-CD1 4.12Å; Y161-Y224 HydrophobicContact CE1-CD2 4.42Å; Y161-Y224 HydrophobicContact CE1-CG 4.01Å; Y161-Y224 HydrophobicContact CE2-CG 4.49Å; Y161-Y224 HydrophobicContact CG-CD2 4.14Å; Y161-Y224 HydrophobicContact CG-CG 4.05Å
162	M	90.6	Very high	93.6	Very high	79 Å²	79	42.4 Å²	42.4	39%	0.389	23%	0.23	S	C	.	.	H	α-helix	trans	-77.2	-21.9	174.6	-64.7	175.4	55	0	0	112.5	P158 N164 P220 R221	P158-M162 HydrophobicContact CB-SD 4.26Å; P158-M162 WeakPolarHBondContact O-CB 3.25Å; P158-M162 WeakPolarHBondContact O-CG 3.33Å; P158-M162 PolarHBondContact O-N 3.18Å; M162-N164 VanDerWaalsContact C-N 3.3Å; M162-N164 PolarHBondContact O-N 3.35Å; M162-P220 HydrophobicContact CE-CB 3.83Å; M162-R221 HydrophobicContact SD-CG 4.36Å
163	Y	92.3	Very high	93.6	Very high	136 Å²	136	42.9 Å²	42.9	53%	0.533	23%	0.234	S	C	.	.	H	α-helix	trans	-61.1	-38.2	177.4	177.6	-102.7	0	0	0	112.7	F115 P159 Y161	F115-Y163 HydrophobicContact CZ-CD1 4.36Å; P159-Y163 VanDerWaalsContact O-CB 3.31Å; P159-Y163 WeakPolarHBondContact O-CB 3.28Å; P159-Y163 PolarHBondContact O-N 3.48Å; Y161-Y163 VanDerWaalsContact C-N 3.35Å
164	N	93.8	Very high	93.6	Very high	53 Å²	53	46 Å²	46	28%	0.283	25%	0.249	S	C	.	.	S	Bend	trans	-139.2	81.2	176.4	-168.6	-29.7	0	0	0	110.5	M162 V166 K167 T168	M162-N164 VanDerWaalsContact C-N 3.3Å; M162-N164 PolarHBondContact O-N 3.35Å; N164-V166 VanDerWaalsContact C-N 3.28Å; N164-V166 PolarHBondContact O-N 3.08Å; N164-K167 HydrophobicContact CB-CB 4.02Å; N164-K167 VanDerWaalsContact CG-CB 3.43Å; N164-K167 PolarHBondContact O-N 3.42Å; N164-K167 VanDerWaalsContact O-N 3.17Å; N164-K167 VanDerWaalsContact OD1-CB 3.32Å; N164-K167 WeakPolarHBondContact OD1-CB 3.49Å; N164-K167 PolarHBondContact OD1-N 2.85Å; N164-T168 PolarHBondContact O-N 3.49Å; N164-T168 PolarHBondContact O-OG1 3.12Å
165	P	95.6	Very high	93.7	Very high	57 Å²	57	45.1 Å²	45.1	37%	0.37	24%	0.242	S	C	.	.	H	α-helix	trans	-62.8	-34.6	-173.8	24.2	-33.6	0	0	0	112.3	T168 I169 C223	P165-T168 WeakPolarHBondContact O-CB 3.36Å; P165-T168 PolarHBondContact O-N 3.05Å; P165-I169 WeakPolarHBondContact O-CG1 3.31Å; P165-I169 PolarHBondContact O-N 2.84Å; P165-C223 HydrophobicContact CB-CB 3.52Å
166	V	97	Very high	94	Very high	90 Å²	90	44.9 Å²	44.9	55%	0.545	24%	0.24	S	C	.	.	H	α-helix	trans	-63.8	-44.9	176.8	177.5	0	0	0	0	111	N164 I169 K170	N164-V166 VanDerWaalsContact C-N 3.28Å; N164-V166 PolarHBondContact O-N 3.08Å; V166-I169 PolarHBondContact O-N 2.8Å; V166-K170 HydrophobicContact CG1-CD 4.44Å; V166-K170 WeakPolarHBondContact O-CG 3.37Å; V166-K170 PolarHBondContact O-N 2.84Å
167	K	96	Very high	94.6	Very high	40 Å²	40	45.1 Å²	45.1	17%	0.174	23%	0.234	C	C	.	.	H	α-helix	trans	-64.9	-40.4	176.1	-173.8	174.7	-178.1	179.6	0	111.3	F115 N164 K170 T171	F115-K167 HydrophobicContact CE2-CD 4.44Å; N164-K167 HydrophobicContact CB-CB 4.02Å; N164-K167 VanDerWaalsContact CG-CB 3.43Å; N164-K167 PolarHBondContact O-N 3.42Å; N164-K167 VanDerWaalsContact O-N 3.17Å; N164-K167 VanDerWaalsContact OD1-CB 3.32Å; N164-K167 WeakPolarHBondContact OD1-CB 3.49Å; N164-K167 PolarHBondContact OD1-N 2.85Å; K167-K170 PolarHBondContact O-N 3Å; K167-T171 WeakPolarHBondContact O-CB 3.4Å; K167-T171 PolarHBondContact O-N 3.1Å; K167-T171 PolarHBondContact O-OG1 3Å
168	T	97.9	Very high	95.2	Very high	1 Å²	1	47 Å²	47	1%	0.006	24%	0.244	C	C	.	.	H	α-helix	trans	-57.5	-48.9	174.6	-59.8	0	0	0	0	111	Y161 N164 P165 T171 N172 C223 Y224	Y161-T168 WeakPolarHBondContact CA-OG1 3.3Å; Y161-T168 PolarHBondContact O-OG1 3.23Å; N164-T168 PolarHBondContact O-N 3.49Å; N164-T168 PolarHBondContact O-OG1 3.12Å; P165-T168 WeakPolarHBondContact O-CB 3.36Å; P165-T168 PolarHBondContact O-N 3.05Å; T168-T171 PolarHBondContact O-N 3.28Å; T168-N172 PolarHBondContact O-N 3.47Å; T168-N172 VanDerWaalsContact O-N 3.09Å; T168-N172 PolarHBondContact O-ND2 3.25Å; T168-C223 HydrophobicContact CG2-CB 4.49Å; T168-C223 WeakPolarHBondContact CG2-O 3.43Å; T168-Y224 HydrophobicContact CG2-CD2 4.3Å
169	I	98	Very high	95.7	Very high	79 Å²	79	45.5 Å²	45.5	41%	0.405	23%	0.234	S	C	.	.	H	α-helix	trans	-61.2	-50.3	177.7	-68.9	166	0	0	0	110.6	P165 V166 T171 N172 T173 C223	P165-I169 WeakPolarHBondContact O-CG1 3.31Å; P165-I169 PolarHBondContact O-N 2.84Å; V166-I169 PolarHBondContact O-N 2.8Å; I169-T171 VanDerWaalsContact C-N 3.29Å; I169-T171 PolarHBondContact O-N 3.22Å; I169-N172 PolarHBondContact O-N 3.05Å; I169-T173 HydrophobicContact CG2-CG2 4.3Å; I169-T173 WeakPolarHBondContact O-CB 3.25Å; I169-T173 WeakPolarHBondContact O-CG2 3.45Å; I169-T173 PolarHBondContact O-N 3.07Å; I169-T173 PolarHBondContact O-OG1 3.05Å; I169-C223 HydrophobicContact CD1-CB 4.01Å; I169-C223 HydrophobicContact CG1-CB 3.87Å
170	K	98.3	Very high	96.3	Very high	111 Å²	111	42.2 Å²	42.2	48%	0.483	21%	0.213	S	C	.	.	H	α-helix	trans	-58.1	-41.6	179.6	-76	-176.1	176.2	-175.1	0	112.3	V139 V166 K167 T173 L174 G175	V139-K170 HydrophobicContact CG1-CB 4.19Å; V166-K170 HydrophobicContact CG1-CD 4.44Å; V166-K170 WeakPolarHBondContact O-CG 3.37Å; V166-K170 PolarHBondContact O-N 2.84Å; K167-K170 PolarHBondContact O-N 3Å; K170-T173 PolarHBondContact O-N 2.94Å; K170-T173 PolarHBondContact O-OG1 3.08Å; K170-L174 HydrophobicContact CB-CD1 4.43Å; K170-L174 HydrophobicContact CG-CD1 4.26Å; K170-L174 WeakPolarHBondContact O-CB 3.36Å; K170-L174 PolarHBondContact O-N 2.78Å; K170-G175 PolarHBondContact O-N 2.81Å
171	T	98.4	Very high	96.8	Very high	7 Å²	7	43 Å²	43	4%	0.043	23%	0.225	C	C	.	.	I	π-helix	trans	-63.3	-47.2	179.2	-55.5	0	0	0	0	111.2	V138 A153 K167 T168 I169 T173 G175	V138-T171 HydrophobicContact CG2-CG2 3.91Å; A153-T171 WeakPolarHBondContact O-CG2 3.24Å; K167-T171 WeakPolarHBondContact O-CB 3.4Å; K167-T171 PolarHBondContact O-N 3.1Å; K167-T171 PolarHBondContact O-OG1 3Å; T168-T171 PolarHBondContact O-N 3.28Å; I169-T171 VanDerWaalsContact C-N 3.29Å; I169-T171 PolarHBondContact O-N 3.22Å; T171-T173 VanDerWaalsContact C-N 3.34Å; T171-T173 PolarHBondContact O-N 2.84Å; T171-G175 VanDerWaalsContact O-CA 3.25Å; T171-G175 WeakPolarHBondContact O-CA 3.4Å; T171-G175 PolarHBondContact O-N 2.96Å
172	N	98.6	Very high	97.3	Very high	1 Å²	1	43 Å²	43	1%	0.005	23%	0.225	C	C	.	.	I	π-helix	trans	-78.3	-15.1	-178.4	-66.5	-72.1	0	0	0	113.8	S154 T168 I169 T176 G227 K228	S154-N172 WeakPolarHBondContact CB-OD1 3.33Å; S154-N172 VanDerWaalsContact OG-CG 3.29Å; S154-N172 PolarHBondContact OG-ND2 3.24Å; S154-N172 PolarHBondContact OG-OD1 2.72Å; T168-N172 PolarHBondContact O-N 3.47Å; T168-N172 VanDerWaalsContact O-N 3.09Å; T168-N172 PolarHBondContact O-ND2 3.25Å; I169-N172 PolarHBondContact O-N 3.05Å; N172-T176 WeakPolarHBondContact O-CB 3.36Å; N172-T176 PolarHBondContact O-OG1 3Å; N172-T176 VanDerWaalsContact O-OG1 3.06Å; N172-G227 WeakPolarHBondContact CB-O 3.36Å; N172-K228 WeakPolarHBondContact OD1-CD 3.41Å; N172-K228 WeakPolarHBondContact OD1-CE 3.47Å; N172-K228 PolarHBondContact OD1-NZ 3.37Å
173	T	98.5	Very high	97.7	Very high	32 Å²	32	39.2 Å²	39.2	20%	0.196	21%	0.207	C	C	.	.	I	π-helix	trans	-101.4	-74.7	177.2	51.5	0	0	0	0	111.3	I169 K170 T171 G175 T176 I177 V230	I169-T173 HydrophobicContact CG2-CG2 4.3Å; I169-T173 WeakPolarHBondContact O-CB 3.25Å; I169-T173 WeakPolarHBondContact O-CG2 3.45Å; I169-T173 PolarHBondContact O-N 3.07Å; I169-T173 PolarHBondContact O-OG1 3.05Å; K170-T173 PolarHBondContact O-N 2.94Å; K170-T173 PolarHBondContact O-OG1 3.08Å; T171-T173 VanDerWaalsContact C-N 3.34Å; T171-T173 PolarHBondContact O-N 2.84Å; T173-G175 VanDerWaalsContact C-N 3.3Å; T173-G175 PolarHBondContact O-N 2.92Å; T173-T176 PolarHBondContact O-N 2.85Å; T173-I177 WeakPolarHBondContact O-CG1 3.37Å; T173-I177 PolarHBondContact O-N 2.84Å; T173-V230 HydrophobicContact CG2-CG1 3.58Å
174	L	98.7	Very high	98	Very high	81 Å²	81	37.2 Å²	37.2	42%	0.424	20%	0.201	S	C	.	.	I	π-helix	trans	-60.4	-40.2	-179	-59.6	177.5	0	0	0	111.8	K170 T176 I177 N178	K170-L174 HydrophobicContact CB-CD1 4.43Å; K170-L174 HydrophobicContact CG-CD1 4.26Å; K170-L174 WeakPolarHBondContact O-CB 3.36Å; K170-L174 PolarHBondContact O-N 2.78Å; L174-T176 VanDerWaalsContact C-N 3.35Å; L174-T176 PolarHBondContact O-N 3.16Å; L174-I177 PolarHBondContact O-N 3.46Å; L174-N178 PolarHBondContact O-N 3.48Å; L174-N178 PolarHBondContact O-ND2 2.97Å
175	G	98.8	Very high	98.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.206	C	C	.	.	I	π-helix	trans	-60.5	-43.3	176.1	0	0	0	0	0	112.9	V138 K170 T171 T173 N178 M179	V138-G175 WeakPolarHBondContact O-CA 3.5Å; K170-G175 PolarHBondContact O-N 2.81Å; T171-G175 VanDerWaalsContact O-CA 3.25Å; T171-G175 WeakPolarHBondContact O-CA 3.4Å; T171-G175 PolarHBondContact O-N 2.96Å; T173-G175 VanDerWaalsContact C-N 3.3Å; T173-G175 PolarHBondContact O-N 2.92Å; G175-N178 PolarHBondContact O-N 3.14Å; G175-M179 WeakPolarHBondContact O-CG 3.32Å; G175-M179 PolarHBondContact O-N 2.73Å; G175-M179 VanDerWaalsContact O-N 3.09Å
176	T	98.9	Very high	98.4	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	20%	0.196	C	C	.	.	H	α-helix	trans	-67.9	-39.6	175.9	-61.3	0	0	0	0	112	H151 N172 T173 L174 N178 M179 L180 A231 L234	H151-T176 PolarHBondContact CD2-OG1 3.01Å; H151-T176 WeakPolarHBondContact NE2-CA 3.13Å; H151-T176 PolarHBondContact NE2-OG1 3.36Å; N172-T176 WeakPolarHBondContact O-CB 3.36Å; N172-T176 PolarHBondContact O-OG1 3Å; N172-T176 VanDerWaalsContact O-OG1 3.06Å; T173-T176 PolarHBondContact O-N 2.85Å; L174-T176 VanDerWaalsContact C-N 3.35Å; L174-T176 PolarHBondContact O-N 3.16Å; T176-N178 PolarHBondContact O-N 3.06Å; T176-M179 PolarHBondContact O-N 3.49Å; T176-L180 HydrophobicContact CG2-CD1 3.77Å; T176-L180 HydrophobicContact CG2-CG 4.43Å; T176-L180 WeakPolarHBondContact O-CB 3.38Å; T176-L180 WeakPolarHBondContact O-CG 3.32Å; T176-L180 PolarHBondContact O-N 3.25Å; T176-A231 HydrophobicContact CG2-CB 4.17Å; T176-L234 HydrophobicContact CG2-CB 4.33Å; T176-L234 HydrophobicContact CG2-CD1 4.26Å
177	I	98.8	Very high	98.4	Very high	59 Å²	59	42.8 Å²	42.8	30%	0.303	21%	0.209	S	C	.	.	H	α-helix	trans	-58.8	-46.5	173.8	-69.1	167.3	0	0	0	110.9	T173 L174 M179 L180 G181 L234	T173-I177 WeakPolarHBondContact O-CG1 3.37Å; T173-I177 PolarHBondContact O-N 2.84Å; L174-I177 PolarHBondContact O-N 3.46Å; I177-M179 PolarHBondContact O-N 3.29Å; I177-L180 PolarHBondContact O-N 3.35Å; I177-G181 PolarHBondContact O-N 3.09Å; I177-L234 HydrophobicContact CD1-CD1 4.39Å; I177-L234 HydrophobicContact CD1-CD2 4.5Å; I177-L234 HydrophobicContact CG1-CD1 3.83Å; I177-L234 HydrophobicContact CG1-CD2 4.08Å
178	N	98.9	Very high	98.5	Very high	39 Å²	39	40.9 Å²	40.9	21%	0.209	20%	0.201	C	C	.	.	H	α-helix	trans	-63	-42.5	179.6	-72.5	-23.1	0	0	0	112	V138 V139 L174 G175 T176 G181 L182	V138-N178 PolarHBondContact O-ND2 3.43Å; V139-N178 PolarHBondContact O-ND2 2.84Å; L174-N178 PolarHBondContact O-N 3.48Å; L174-N178 PolarHBondContact O-ND2 2.97Å; G175-N178 PolarHBondContact O-N 3.14Å; T176-N178 PolarHBondContact O-N 3.06Å; N178-G181 PolarHBondContact O-N 2.76Å; N178-L182 WeakPolarHBondContact O-CB 3.48Å; N178-L182 PolarHBondContact O-N 2.8Å
179	M	98.8	Very high	98.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-69.1	-34.9	178.1	-67.8	-57.6	97.5	0	0	112.7	L85 T87 I149 G175 T176 I177 L182 A183	L85-M179 HydrophobicContact CD2-SD 4.01Å; T87-M179 HydrophobicContact CG2-CG 4.1Å; T87-M179 HydrophobicContact CG2-SD 3.49Å; T87-M179 WeakPolarHBondContact CG2-SD 3.37Å; I149-M179 HydrophobicContact CG2-SD 4.36Å; G175-M179 WeakPolarHBondContact O-CG 3.32Å; G175-M179 PolarHBondContact O-N 2.73Å; G175-M179 VanDerWaalsContact O-N 3.09Å; T176-M179 PolarHBondContact O-N 3.49Å; I177-M179 PolarHBondContact O-N 3.29Å; M179-L182 HydrophobicContact CE-CD2 4.27Å; M179-L182 PolarHBondContact O-N 2.98Å; M179-L182 HydrophobicContact SD-CD2 4.33Å; M179-A183 WeakPolarHBondContact O-CB 3.49Å; M179-A183 PolarHBondContact O-N 3.28Å
180	L	98.8	Very high	98.6	Very high	1 Å²	1	38 Å²	38	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-67.9	-40.4	172	-76.4	164.5	0	0	0	111.8	T176 I177 A183 K184 V190 L234 M235 Y238 I244	T176-L180 HydrophobicContact CG2-CD1 3.77Å; T176-L180 HydrophobicContact CG2-CG 4.43Å; T176-L180 WeakPolarHBondContact O-CB 3.38Å; T176-L180 WeakPolarHBondContact O-CG 3.32Å; T176-L180 PolarHBondContact O-N 3.25Å; I177-L180 PolarHBondContact O-N 3.35Å; L180-A183 PolarHBondContact O-N 2.93Å; L180-K184 WeakPolarHBondContact O-CB 3.3Å; L180-K184 PolarHBondContact O-N 2.92Å; L180-V190 HydrophobicContact CD2-CG1 3.92Å; L180-L234 HydrophobicContact CD1-CB 3.85Å; L180-M235 HydrophobicContact CD1-SD 4.25Å; L180-M235 HydrophobicContact CD2-SD 3.71Å; L180-M235 HydrophobicContact CG-SD 4.17Å; L180-Y238 HydrophobicContact CB-CD1 3.99Å; L180-Y238 HydrophobicContact CB-CD2 4.09Å; L180-Y238 HydrophobicContact CB-CE1 3.99Å; L180-Y238 HydrophobicContact CB-CE2 4.1Å; L180-Y238 HydrophobicContact CB-CG 4.01Å; L180-Y238 HydrophobicContact CD1-CD2 3.66Å; L180-Y238 HydrophobicContact CD1-CE2 4.04Å; L180-Y238 HydrophobicContact CD1-CG 4.11Å; L180-Y238 HydrophobicContact CD2-CG 4.14Å; L180-Y238 HydrophobicContact CG-CD2 4.31Å; L180-Y238 HydrophobicContact CG-CG 4.33Å; L180-I244 HydrophobicContact CD2-CD1 4.45Å; L180-I244 WeakPolarHBondContact O-CD1 3.37Å
181	G	98.6	Very high	98.7	Very high	32 Å²	32	32.7 Å²	32.7	33%	0.33	16%	0.164	S	C	.	.	H	α-helix	trans	-61.7	-41.8	173.1	0	0	0	0	0	112.5	I177 N178 K184 R185	I177-G181 PolarHBondContact O-N 3.09Å; N178-G181 PolarHBondContact O-N 2.76Å; G181-K184 WeakPolarHBondContact O-CB 3.39Å; G181-K184 PolarHBondContact O-N 3.47Å; G181-R185 PolarHBondContact O-N 3.47Å; G181-R185 VanDerWaalsContact O-N 3.12Å
182	L	98.8	Very high	98.7	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.016	16%	0.162	C	C	.	.	H	α-helix	trans	-61.1	-51.2	172	176.6	59.8	0	0	0	111.1	L85 V144 I149 N178 M179 K184 R185 V186	L85-L182 HydrophobicContact CD2-CD2 3.7Å; V144-L182 HydrophobicContact CG1-CD2 4.15Å; V144-L182 WeakPolarHBondContact O-CD1 3.44Å; I149-L182 HydrophobicContact CD1-CB 4.39Å; I149-L182 HydrophobicContact CD1-CD2 3.92Å; I149-L182 HydrophobicContact CD1-CG 3.95Å; N178-L182 WeakPolarHBondContact O-CB 3.48Å; N178-L182 PolarHBondContact O-N 2.8Å; M179-L182 HydrophobicContact CE-CD2 4.27Å; M179-L182 PolarHBondContact O-N 2.98Å; M179-L182 HydrophobicContact SD-CD2 4.33Å; L182-K184 VanDerWaalsContact C-N 3.26Å; L182-K184 PolarHBondContact O-N 3.42Å; L182-R185 PolarHBondContact O-N 2.92Å; L182-R185 VanDerWaalsContact O-N 3.08Å; L182-V186 HydrophobicContact CD1-CG1 4.21Å; L182-V186 WeakPolarHBondContact O-CG2 3.4Å; L182-V186 PolarHBondContact O-N 3.1Å; L182-V186 VanDerWaalsContact O-N 3.1Å
183	A	98.7	Very high	98.7	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.008	17%	0.165	C	C	.	.	H	α-helix	trans	-57.1	-39.6	178.8	0	0	0	0	0	112.3	I149 M179 L180 K187 A188 V190 I244	I149-A183 HydrophobicContact CD1-CB 4.04Å; M179-A183 WeakPolarHBondContact O-CB 3.49Å; M179-A183 PolarHBondContact O-N 3.28Å; L180-A183 PolarHBondContact O-N 2.93Å; A183-K187 CarbonylContact O-C 3.57Å; A183-K187 WeakPolarHBondContact O-CA 3.36Å; A183-K187 PolarHBondContact O-N 3.37Å; A183-A188 HydrophobicContact CB-CB 4.44Å; A183-A188 PolarHBondContact O-N 2.9Å; A183-V190 HydrophobicContact CB-CB 4.12Å; A183-V190 HydrophobicContact CB-CG1 4.04Å; A183-I244 HydrophobicContact CB-CG2 4.02Å
184	K	98.5	Very high	98.7	Very high	94 Å²	94	31.4 Å²	31.4	41%	0.409	16%	0.157	S	C	.	.	H	α-helix	trans	-58.8	-51.3	174	-171.3	177.2	168.2	171.3	0	111.3	L180 G181 L182 V186 E242 I244	L180-K184 WeakPolarHBondContact O-CB 3.3Å; L180-K184 PolarHBondContact O-N 2.92Å; G181-K184 WeakPolarHBondContact O-CB 3.39Å; G181-K184 PolarHBondContact O-N 3.47Å; L182-K184 VanDerWaalsContact C-N 3.26Å; L182-K184 PolarHBondContact O-N 3.42Å; K184-V186 PolarHBondContact O-N 3.32Å; K184-E242 HydrophobicContact CD-CB 4.36Å; K184-E242 HydrophobicContact CD-CG 4.21Å; K184-E242 WeakPolarHBondContact CE-OE2 3.1Å; K184-E242 IonicContact NZ-OE1 3.45Å; K184-E242 PolarHBondContact NZ-OE1 3.46Å; K184-E242 IonicContact NZ-OE2 3.99Å; K184-E242 PolarHBondContact NZ-OE2 3.17Å; K184-I244 HydrophobicContact CB-CD1 3.65Å; K184-I244 HydrophobicContact CB-CG1 4.39Å; K184-I244 HydrophobicContact CG-CD1 4.31Å
185	R	98.4	Very high	98.7	Very high	103 Å²	103	28 Å²	28	39%	0.389	14%	0.139	S	C	.	.	H	α-helix	trans	-61.1	-46.9	-174.5	-170.7	-174.6	76.2	-124.7	0.6	111.8	V144 E145 G181 L182	V144-R185 PolarHBondContact O-NH2 3.33Å; V144-R185 VanDerWaalsContact O-NH2 3.15Å; E145-R185 IonicContact OE1-NH2 2.69Å; G181-R185 PolarHBondContact O-N 3.47Å; G181-R185 VanDerWaalsContact O-N 3.12Å; L182-R185 PolarHBondContact O-N 2.92Å; L182-R185 VanDerWaalsContact O-N 3.08Å
186	V	98.4	Very high	98.5	Very high	25 Å²	25	28.1 Å²	28.1	15%	0.152	14%	0.14	C	C	.	.	H	α-helix	trans	-100.1	3.7	-172.9	-49.3	0	0	0	0	113.2	E145 V146 L182 K184 A188	E145-V186 WeakPolarHBondContact OE1-CG1 3.46Å; E145-V186 WeakPolarHBondContact OE2-CG1 3.2Å; V146-V186 HydrophobicContact CG2-CG2 4.25Å; V146-V186 WeakPolarHBondContact O-CG2 3.46Å; L182-V186 HydrophobicContact CD1-CG1 4.21Å; L182-V186 WeakPolarHBondContact O-CG2 3.4Å; L182-V186 PolarHBondContact O-N 3.1Å; L182-V186 VanDerWaalsContact O-N 3.1Å; K184-V186 PolarHBondContact O-N 3.32Å; V186-A188 HydrophobicContact CG2-CB 3.79Å; V186-A188 PolarHBondContact O-N 3.33Å
187	K	98.3	Very high	98.4	Very high	188 Å²	188	29 Å²	29	82%	0.817	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	30	-177.4	-55	176.8	-178.1	174.6	0	113.7	A183	A183-K187 CarbonylContact O-C 3.57Å; A183-K187 WeakPolarHBondContact O-CA 3.36Å; A183-K187 PolarHBondContact O-N 3.37Å
188	A	98.6	Very high	98.3	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.008	13%	0.13	C	C	.	.			trans	-68.8	151.5	177.1	0	0	0	0	0	111.7	V146 D147 I149 A183 V186	V146-A188 HydrophobicContact CG2-CB 4.43Å; D147-A188 WeakPolarHBondContact O-CA 3.42Å; I149-A188 HydrophobicContact CD1-CB 4.09Å; I149-A188 HydrophobicContact CG1-CB 4.04Å; A183-A188 HydrophobicContact CB-CB 4.44Å; A183-A188 PolarHBondContact O-N 2.9Å; V186-A188 HydrophobicContact CG2-CB 3.79Å; V186-A188 PolarHBondContact O-N 3.33Å
189	T	98.8	Very high	98.2	Very high	18 Å²	18	24.5 Å²	24.5	11%	0.11	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	129.8	164.1	-55.4	0	0	0	0	109.1	D147 Q148 I149 K245 R247 M306	D147-T189 PolarHBondContact O-N 3.44Å; Q148-T189 CarbonylContact C-O 3.42Å; Q148-T189 WeakPolarHBondContact CA-O 3.03Å; I149-T189 PolarHBondContact N-O 3.25Å; T189-K245 WeakPolarHBondContact CA-O 3.38Å; T189-K245 HydrophobicContact CG2-CB 3.9Å; T189-K245 WeakPolarHBondContact CG2-O 3.17Å; T189-R247 HydrophobicContact CG2-CG 4.18Å; T189-M306 HydrophobicContact CG2-SD 3.62Å
190	V	98.9	Very high	97.9	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.006	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	129.3	-178.3	57.3	0	0	0	0	111.3	I149 H151 L180 A183 M235 I244 K245 I246 R247	I149-V190 HydrophobicContact CB-CB 4.25Å; I149-V190 HydrophobicContact CB-CG2 4.11Å; I149-V190 HydrophobicContact CG2-CG2 4.19Å; I149-V190 CarbonylContact O-C 3.25Å; I149-V190 WeakPolarHBondContact O-CA 3.37Å; H151-V190 HydrophobicContact CB-CG2 4.49Å; L180-V190 HydrophobicContact CD2-CG1 3.92Å; A183-V190 HydrophobicContact CB-CB 4.12Å; A183-V190 HydrophobicContact CB-CG1 4.04Å; V190-M235 HydrophobicContact CG1-CE 3.89Å; V190-M235 HydrophobicContact CG1-SD 4.22Å; V190-M235 HydrophobicContact CG2-CE 4.25Å; V190-M235 HydrophobicContact CG2-SD 4.37Å; V190-M235 WeakPolarHBondContact O-CE 3.49Å; V190-I244 HydrophobicContact CG1-CG2 3.89Å; V190-K245 PolarHBondContact N-O 3.36Å; V190-I246 HydrophobicContact CG1-CG2 4.07Å; V190-I246 CarbonylContact O-C 3.22Å; V190-I246 VanDerWaalsContact O-CA 3.32Å; V190-I246 WeakPolarHBondContact O-CA 3.41Å; V190-R247 PolarHBondContact O-N 2.65Å
191	L	98.9	Very high	97.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	126.1	172.9	-174.6	152.1	0	0	0	109.7	I149 Y150 H151 R247 A249 L302 L305 M306	I149-L191 PolarHBondContact O-N 2.98Å; Y150-L191 HydrophobicContact CD1-CB 4.31Å; Y150-L191 HydrophobicContact CD1-CD1 4.34Å; Y150-L191 HydrophobicContact CD1-CD2 4.32Å; Y150-L191 HydrophobicContact CE1-CD1 4.27Å; H151-L191 WeakPolarHBondContact CB-O 3.29Å; H151-L191 PolarHBondContact N-O 3.39Å; L191-R247 CarbonylContact C-O 3.54Å; L191-R247 VanDerWaalsContact CA-O 3.29Å; L191-R247 WeakPolarHBondContact CA-O 3.49Å; L191-R247 HydrophobicContact CB-CB 3.87Å; L191-R247 HydrophobicContact CD1-CB 3.93Å; L191-R247 HydrophobicContact CG-CB 3.81Å; L191-A249 HydrophobicContact CD2-CB 4.32Å; L191-L302 HydrophobicContact CD1-CD2 4.4Å; L191-L302 WeakPolarHBondContact CD1-O 3.28Å; L191-L302 HydrophobicContact CD2-CD2 3.82Å; L191-L305 HydrophobicContact CD1-CB 4.18Å; L191-L305 HydrophobicContact CD1-CD2 4.12Å; L191-L305 HydrophobicContact CD1-CG 4.19Å; L191-M306 HydrophobicContact CB-CE 3.38Å; L191-M306 HydrophobicContact CB-SD 4.34Å; L191-M306 HydrophobicContact CD1-CB 4.14Å
192	L	98.9	Very high	97	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	125	171.2	177.5	66.6	0	0	0	109.9	S194 A231 E232 M235 R247 A249	L192-S194 VanDerWaalsContact C-N 3.32Å; L192-S194 PolarHBondContact O-N 2.92Å; L192-S194 VanDerWaalsContact O-N 3.1Å; L192-A231 HydrophobicContact CD1-CB 4.22Å; L192-A231 HydrophobicContact CD2-CB 3.78Å; L192-E232 HydrophobicContact CD2-CG 4.1Å; L192-M235 HydrophobicContact CB-CE 3.74Å; L192-M235 HydrophobicContact CB-CG 3.99Å; L192-M235 HydrophobicContact CB-SD 3.97Å; L192-M235 HydrophobicContact CD2-CG 3.81Å; L192-M235 HydrophobicContact CG-CG 4.47Å; L192-R247 PolarHBondContact N-O 2.93Å; L192-A249 PolarHBondContact O-N 2.95Å
193	A	98.8	Very high	96.7	Very high	9 Å²	9	35.2 Å²	35.2	7%	0.074	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	85.9	163.2	0	0	0	0	0	109.4	H151 L152 K228 I251	H151-A193 WeakPolarHBondContact O-CB 3.37Å; H151-A193 PolarHBondContact O-N 3.48Å; H151-A193 VanDerWaalsContact O-N 3.09Å; L152-A193 HydrophobicContact CB-CB 4.34Å; L152-A193 HydrophobicContact CD1-CB 4.04Å; L152-A193 HydrophobicContact CG-CB 3.76Å; A193-K228 PolarHBondContact O-NZ 3.01Å; A193-I251 HydrophobicContact CB-CD1 3.73Å
194	S	98.7	Very high	96.4	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.021	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	-166.4	168.6	-166	0	0	0	0	109.8	L192 E232 A249 I251	L192-S194 VanDerWaalsContact C-N 3.32Å; L192-S194 PolarHBondContact O-N 2.92Å; L192-S194 VanDerWaalsContact O-N 3.1Å; S194-E232 VanDerWaalsContact CB-OE1 3.26Å; S194-E232 WeakPolarHBondContact CB-OE1 3.36Å; S194-E232 PolarHBondContact OG-OE1 2.96Å; S194-A249 CarbonylContact C-O 3.31Å; S194-A249 VanDerWaalsContact C-O 3.25Å; S194-A249 WeakPolarHBondContact CA-O 3.03Å; S194-A249 VanDerWaalsContact CB-O 3.23Å; S194-A249 WeakPolarHBondContact CB-O 3.23Å; S194-A249 PolarHBondContact N-O 2.86Å; S194-I251 PolarHBondContact O-N 3.45Å
195	T	98.1	Very high	96.1	Very high	10 Å²	10	37.1 Å²	37.1	6%	0.061	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	155.3	-167.9	-177.2	0	0	0	0	111.7	E197 V198 Y224 K228 I251	T195-E197 HydrophobicContact CG2-CB 3.76Å; T195-E197 HydrophobicContact CG2-CG 4.32Å; T195-E197 PolarHBondContact O-N 3.39Å; T195-E197 PolarHBondContact OG1-N 3.05Å; T195-V198 HydrophobicContact CG2-CG1 3.98Å; T195-V198 WeakPolarHBondContact O-CG1 3.32Å; T195-V198 WeakPolarHBondContact O-CG2 3.01Å; T195-V198 PolarHBondContact O-N 3.14Å; T195-Y224 HydrophobicContact CG2-CE1 3.76Å; T195-K228 HydrophobicContact CG2-CB 3.79Å; T195-K228 HydrophobicContact CG2-CD 4.5Å; T195-K228 HydrophobicContact CG2-CG 3.73Å; T195-I251 CarbonylContact C-O 3.53Å; T195-I251 WeakPolarHBondContact CA-O 3.44Å
196	S	96.1	Very high	96	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.007	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-63.7	-18.5	166.7	58.2	0	0	0	0	113.7	V198 Y199 I251 R355	S196-V198 PolarHBondContact O-N 3.39Å; S196-Y199 WeakPolarHBondContact O-CB 3.44Å; S196-Y199 VanDerWaalsContact O-CD2 3.23Å; S196-Y199 WeakPolarHBondContact O-CD2 3.48Å; S196-Y199 PolarHBondContact O-N 2.92Å; S196-I251 PolarHBondContact N-O 3.4Å; S196-R355 WeakPolarHBondContact OG-CD 3.42Å; S196-R355 PolarHBondContact OG-NH1 3.25Å
197	E	95.1	Very high	95.9	Very high	19 Å²	19	33.1 Å²	33.1	9%	0.089	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-63.6	-16.7	176.3	-57.3	-68.9	137.8	0	0	112.8	T195 Y199 G200 R221 Y224 D225 R355	T195-E197 HydrophobicContact CG2-CB 3.76Å; T195-E197 HydrophobicContact CG2-CG 4.32Å; T195-E197 PolarHBondContact O-N 3.39Å; T195-E197 PolarHBondContact OG1-N 3.05Å; E197-Y199 PolarHBondContact O-N 3.33Å; E197-Y199 VanDerWaalsContact O-N 3.11Å; E197-G200 PolarHBondContact O-N 3Å; E197-R221 VanDerWaalsContact CD-NH2 3.26Å; E197-R221 IonicContact OE1-NH2 2.6Å; E197-R221 PolarHBondContact OE1-NH2 3.12Å; E197-R221 IonicContact OE2-CZ 3.35Å; E197-R221 IonicContact OE2-NE 3.97Å; E197-R221 IonicContact OE2-NH2 2.8Å; E197-R221 PolarHBondContact OE2-NH2 3.42Å; E197-Y224 HydrophobicContact CB-CD1 4.3Å; E197-Y224 HydrophobicContact CB-CE1 4.12Å; E197-Y224 HydrophobicContact CG-CD1 4.15Å; E197-Y224 HydrophobicContact CG-CE1 3.8Å; E197-D225 WeakPolarHBondContact CB-OD1 3.45Å; E197-R355 IonicContact OE1-CZ 3.94Å; E197-R355 IonicContact OE1-NH1 3.39Å; E197-R355 PolarHBondContact OE1-NH1 3.33Å; E197-R355 IonicContact OE1-NH2 2.86Å; E197-R355 PolarHBondContact OE1-NH2 3.47Å; E197-R355 IonicContact OE2-NH2 2.81Å; E197-R355 PolarHBondContact OE2-NH2 3.18Å
198	V	97.4	Very high	95.8	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.012	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-62.3	-18.8	172.5	-55.4	0	0	0	0	112.7	T195 S196 K228 R229 R250	T195-V198 HydrophobicContact CG2-CG1 3.98Å; T195-V198 WeakPolarHBondContact O-CG1 3.32Å; T195-V198 WeakPolarHBondContact O-CG2 3.01Å; T195-V198 PolarHBondContact O-N 3.14Å; S196-V198 PolarHBondContact O-N 3.39Å; V198-K228 HydrophobicContact CG1-CB 4.12Å; V198-R229 HydrophobicContact CB-CG 3.88Å; V198-R229 HydrophobicContact CG1-CG 3.92Å; V198-R229 PolarHBondContact O-NH1 3.42Å; V198-R250 HydrophobicContact CG2-CG 4.34Å
199	Y	96.6	Very high	95.8	Very high	3 Å²	3	26 Å²	26	1%	0.012	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-84	-16.5	173.2	-55.6	-55.8	0	0	0	113.3	S196 E197 Q207 E209 Y211 G213 H214 R250 F252 N315	S196-Y199 WeakPolarHBondContact O-CB 3.44Å; S196-Y199 VanDerWaalsContact O-CD2 3.23Å; S196-Y199 WeakPolarHBondContact O-CD2 3.48Å; S196-Y199 PolarHBondContact O-N 2.92Å; E197-Y199 PolarHBondContact O-N 3.33Å; E197-Y199 VanDerWaalsContact O-N 3.11Å; Y199-Q207 HydrophobicContact CD2-CB 3.99Å; Y199-Q207 HydrophobicContact CD2-CG 4.36Å; Y199-Q207 HydrophobicContact CE2-CB 4.16Å; Y199-Q207 HydrophobicContact CG-CB 4.27Å; Y199-Q207 HydrophobicContact CG-CG 4.42Å; Y199-E209 WeakPolarHBondContact OH-CA 3.46Å; Y199-Y211 AromaticContact CD1-CD1 3.82Å; Y199-Y211 HydrophobicContact CD1-CD1 3.82Å; Y199-Y211 HydrophobicContact CG-CD1 4.38Å; Y199-G213 VanDerWaalsContact O-CA 3.26Å; Y199-G213 WeakPolarHBondContact O-CA 3.26Å; Y199-H214 PolarHBondContact O-N 3.41Å; Y199-R250 VanDerWaalsContact CE1-NH1 3.27Å; Y199-R250 WeakPolarHBondContact OH-CD 3.03Å; Y199-R250 PolarHBondContact OH-NH1 3.25Å; Y199-F252 HydrophobicContact CD2-CZ 4.19Å; Y199-F252 HydrophobicContact CE2-CE2 4.05Å; Y199-F252 AromaticContact CE2-CZ 3.8Å; Y199-F252 HydrophobicContact CE2-CZ 3.8Å; Y199-N315 PolarHBondContact OH-OD1 3.15Å
200	G	92.6	Very high	95.8	Very high	7 Å²	7	30 Å²	30	7%	0.072	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	64.8	-129.3	-179.8	0	0	0	0	0	113.8	E197 P202 H214	E197-G200 PolarHBondContact O-N 3Å; G200-P202 VanDerWaalsContact O-CD 3.24Å; G200-P202 WeakPolarHBondContact O-CD 3.44Å; G200-H214 WeakPolarHBondContact CA-O 3.31Å
201	D	89.6	Confident	95.7	Very high	79 Å²	79	31.7 Å²	31.7	42%	0.422	17%	0.173	S	C	.	.	S	Bend	trans	-97.6	90.2	169.5	-171.2	30.1	0	0	0	109.1	H214	D201-H214 PolarHBondContact N-O 3.49Å; D201-H214 WeakPolarHBondContact O-CB 3.19Å; D201-H214 PolarHBondContact O-ND1 3.47Å
202	P	89.3	Confident	95.7	Very high	22 Å²	22	42.3 Å²	42.3	14%	0.143	21%	0.213	C	C	.	.			trans	-72.4	136.6	-163.3	30.2	-36.3	0	0	0	112.4	G200 V204 Q207 Y211	G200-P202 VanDerWaalsContact O-CD 3.24Å; G200-P202 WeakPolarHBondContact O-CD 3.44Å; P202-V204 VanDerWaalsContact C-N 3.28Å; P202-Q207 HydrophobicContact CB-CG 3.68Å; P202-Q207 HydrophobicContact CG-CG 3.85Å; P202-Y211 HydrophobicContact CB-CD1 4.45Å; P202-Y211 HydrophobicContact CB-CE1 3.77Å
203	E	91.9	Very high	95.5	Very high	152 Å²	152	43.2 Å²	43.2	71%	0.71	22%	0.223	S	C	*	.	S	Bend	trans	-88	2.1	174	-59.3	177.4	137.1	0	0	112.8	Y211	E203-Y211 PolarHBondContact N-OH 3.23Å; E203-Y211 VanDerWaalsContact N-OH 3.13Å
204	V	93.6	Very high	95.4	Very high	66 Å²	66	47.5 Å²	47.5	40%	0.4	24%	0.241	S	C	.	.	S	Bend	trans	-127.8	138.3	-178.5	-177.9	0	0	0	0	109.9	P202 Q207 Y211	P202-V204 VanDerWaalsContact C-N 3.28Å; V204-Q207 PolarHBondContact O-NE2 3.02Å; V204-Y211 HydrophobicContact CB-CD2 4.45Å; V204-Y211 HydrophobicContact CG2-CD2 4.03Å; V204-Y211 HydrophobicContact CG2-CE2 3.95Å
205	H	91.8	Very high	95.2	Very high	69 Å²	69	48.7 Å²	48.7	32%	0.319	25%	0.248	S	C	.	.	S	Bend	trans	-138.3	127.8	-179	-167.8	103	0	0	0	112	E321 Q354 R356	H205-E321 IonicContact CE1-OE1 3.09Å; H205-E321 PolarHBondContact CE1-OE1 3.15Å; H205-E321 IonicContact CE1-OE2 3.4Å; H205-E321 PolarHBondContact CE1-OE2 3.42Å; H205-E321 IonicContact NE2-OE1 2.93Å; H205-E321 IonicContact NE2-OE2 3.2Å; H205-E321 PolarHBondContact NE2-OE2 3.32Å; H205-Q354 PolarHBondContact ND1-OE1 3.01Å; H205-R356 VanDerWaalsContact CE1-CB 3.4Å; H205-R356 WeakPolarHBondContact CE1-CB 2.99Å; H205-R356 WeakPolarHBondContact NE2-CB 3.46Å; H205-R356 WeakPolarHBondContact NE2-CD 3.35Å
206	P	95.1	Very high	95	Very high	44 Å²	44	52.3 Å²	52.3	29%	0.286	27%	0.267	S	S	.	.	S	Bend	cis	-65.1	174.6	-8.2	31	-36.6	0	0	0	111.9	P208 R356 D358	P206-P208 WeakPolarHBondContact O-CD 3.48Å; P206-R356 HydrophobicContact CB-CB 4.21Å; P206-R356 HydrophobicContact CB-CG 4.18Å; P206-R356 WeakPolarHBondContact CB-O 3.48Å; P206-D358 HydrophobicContact CB-CB 4.32Å; P206-D358 HydrophobicContact CG-CB 4.18Å
207	Q	96.1	Very high	95	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.005	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-92.1	104.4	180	-65.4	79	59.2	0	0	111.4	Y199 P202 V204 F252 N315 R356 D358	Y199-Q207 HydrophobicContact CD2-CB 3.99Å; Y199-Q207 HydrophobicContact CD2-CG 4.36Å; Y199-Q207 HydrophobicContact CE2-CB 4.16Å; Y199-Q207 HydrophobicContact CG-CB 4.27Å; Y199-Q207 HydrophobicContact CG-CG 4.42Å; P202-Q207 HydrophobicContact CB-CG 3.68Å; P202-Q207 HydrophobicContact CG-CG 3.85Å; V204-Q207 PolarHBondContact O-NE2 3.02Å; Q207-F252 HydrophobicContact CB-CZ 4.45Å; Q207-N315 PolarHBondContact O-ND2 3.33Å; Q207-R356 PolarHBondContact N-O 3.09Å; Q207-R356 PolarHBondContact OE1-O 3.36Å; Q207-D358 PolarHBondContact O-N 2.89Å
208	P	97.6	Very high	95.1	Very high	24 Å²	24	63.1 Å²	63.1	16%	0.156	33%	0.327	C	S	.	.			trans	-79.5	157.9	172.4	35	-37.3	0	0	0	111.6	P206 T210 Y211 D358	P206-P208 WeakPolarHBondContact O-CD 3.48Å; P208-T210 PolarHBondContact O-N 3.33Å; P208-T210 VanDerWaalsContact O-N 3.1Å; P208-Y211 WeakPolarHBondContact O-CB 3.32Å; P208-Y211 PolarHBondContact O-N 2.79Å; P208-D358 HydrophobicContact CB-CB 4.42Å
209	E	98.4	Very high	94.9	Very high	16 Å²	16	63.7 Å²	63.7	8%	0.075	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-14.2	179.5	-57.3	91.1	157.9	0	0	114.1	Y199 Y211 R250 N315 R361	Y199-E209 WeakPolarHBondContact OH-CA 3.46Å; E209-Y211 VanDerWaalsContact C-N 3.31Å; E209-R250 PolarHBondContact O-NH1 3.03Å; E209-N315 HydrophobicContact CG-CB 4.27Å; E209-N315 WeakPolarHBondContact OE1-CB 3.42Å; E209-N315 PolarHBondContact OE1-N 2.88Å; E209-R361 WeakPolarHBondContact OE1-CB 3.23Å; E209-R361 IonicContact OE1-NE 3.81Å; E209-R361 IonicContact OE2-CZ 3.79Å; E209-R361 IonicContact OE2-NE 2.83Å; E209-R361 PolarHBondContact OE2-NE 3.35Å; E209-R361 IonicContact OE2-NH2 3.22Å
210	T	97.8	Very high	94.6	Very high	101 Å²	101	66.8 Å²	66.8	62%	0.62	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-17.8	173.7	51.9	0	0	0	0	113.3	P208	P208-T210 PolarHBondContact O-N 3.33Å; P208-T210 VanDerWaalsContact O-N 3.1Å
211	Y	98.1	Very high	94.6	Very high	36 Å²	36	68.1 Å²	68.1	14%	0.141	36%	0.357	C	S	.	.			trans	-71.2	135.3	178.7	-177.6	-123.4	0	0	0	111	Y199 P202 E203 V204 P208 E209 G213	Y199-Y211 AromaticContact CD1-CD1 3.82Å; Y199-Y211 HydrophobicContact CD1-CD1 3.82Å; Y199-Y211 HydrophobicContact CG-CD1 4.38Å; P202-Y211 HydrophobicContact CB-CD1 4.45Å; P202-Y211 HydrophobicContact CB-CE1 3.77Å; E203-Y211 PolarHBondContact N-OH 3.23Å; E203-Y211 VanDerWaalsContact N-OH 3.13Å; V204-Y211 HydrophobicContact CB-CD2 4.45Å; V204-Y211 HydrophobicContact CG2-CD2 4.03Å; V204-Y211 HydrophobicContact CG2-CE2 3.95Å; P208-Y211 WeakPolarHBondContact O-CB 3.32Å; P208-Y211 PolarHBondContact O-N 2.79Å; E209-Y211 VanDerWaalsContact C-N 3.31Å; Y211-G213 VanDerWaalsContact CE1-CA 3.42Å
212	W	97.6	Very high	94.9	Very high	223 Å²	223	64.8 Å²	64.8	85%	0.845	34%	0.341	S	S	*	.			trans	-80.8	-19.4	-174.8	-66.1	-1.7	0	0	0	113.9	R229	W212-R229 PolarHBondContact O-NH1 2.87Å
213	G	96.3	Very high	95.2	Very high	20 Å²	20	64.2 Å²	64.2	21%	0.206	34%	0.337	C	S	.	.			trans	88.8	153.6	-175.4	0	0	0	0	0	113.7	Y199 Y211	Y199-G213 VanDerWaalsContact O-CA 3.26Å; Y199-G213 WeakPolarHBondContact O-CA 3.26Å; Y211-G213 VanDerWaalsContact CE1-CA 3.42Å
214	H	95.2	Very high	95.5	Very high	100 Å²	100	57.8 Å²	57.8	46%	0.463	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-121.6	90.9	172.8	175.8	-130.1	0	0	0	108	Y199 G200 D201	Y199-H214 PolarHBondContact O-N 3.41Å; G200-H214 WeakPolarHBondContact CA-O 3.31Å; D201-H214 PolarHBondContact N-O 3.49Å; D201-H214 WeakPolarHBondContact O-CB 3.19Å; D201-H214 PolarHBondContact O-ND1 3.47Å
215	V	94.9	Very high	95.6	Very high	28 Å²	28	55.2 Å²	55.2	17%	0.17	29%	0.29	C	S	.	.			trans	-121.1	133.1	-167.5	179.5	0	0	0	0	109.6	D225	V215-D225 HydrophobicContact CG1-CB 3.8Å
216	N	94.3	Very high	95.9	Very high	86 Å²	86	54.6 Å²	54.6	46%	0.46	29%	0.288	S	S	.	.			trans	-82.7	115.2	173.6	-178.7	-4.6	0	0	0	110.4	I218 G219 A222	N216-I218 VanDerWaalsContact C-N 3.3Å; N216-I218 PolarHBondContact O-N 2.99Å; N216-I218 WeakPolarHBondContact OD1-CG1 3.46Å; N216-I218 PolarHBondContact OD1-N 3.06Å; N216-I218 VanDerWaalsContact OD1-N 3.13Å; N216-G219 PolarHBondContact OD1-N 3.32Å; N216-A222 WeakPolarHBondContact O-CB 3.47Å
217	T	96.4	Very high	96.1	Very high	93 Å²	93	52.7 Å²	52.7	57%	0.571	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-15.8	-174	56.6	0	0	0	0	114.7	A222 E226	T217-A222 VanDerWaalsContact O-CB 3.28Å; T217-A222 WeakPolarHBondContact O-CB 3.41Å; T217-E226 HydrophobicContact CG2-CG 4.41Å
218	I	95.9	Very high	96.2	Very high	153 Å²	153	53 Å²	53	79%	0.785	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.4	1.5	-178.3	62.4	169.3	0	0	0	113	N216	N216-I218 VanDerWaalsContact C-N 3.3Å; N216-I218 PolarHBondContact O-N 2.99Å; N216-I218 WeakPolarHBondContact OD1-CG1 3.46Å; N216-I218 PolarHBondContact OD1-N 3.06Å; N216-I218 VanDerWaalsContact OD1-N 3.13Å
219	G	92.8	Very high	96.3	Very high	14 Å²	14	55.5 Å²	55.5	14%	0.144	28%	0.283	C	S	.	.	S	Bend	trans	-66.5	165.9	178.1	0	0	0	0	0	112.6	N216 R221 A222	N216-G219 PolarHBondContact OD1-N 3.32Å; G219-R221 PolarHBondContact O-N 3.36Å; G219-R221 VanDerWaalsContact O-N 3.08Å; G219-A222 WeakPolarHBondContact O-CB 3.45Å; G219-A222 PolarHBondContact O-N 3.48Å
220	P	90.4	Very high	96.3	Very high	69 Å²	69	57.4 Å²	57.4	45%	0.448	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.5	-177.5	24.7	-34.1	0	0	0	113.6	M162	M162-P220 HydrophobicContact CE-CB 3.83Å
221	R	93.3	Very high	96.3	Very high	34 Å²	34	52.6 Å²	52.6	13%	0.128	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-11.7	178.6	-57.8	175	67.7	102.2	-7	113.8	Y161 M162 E197 G219 C223 Y224 D225	Y161-R221 HydrophobicContact CE2-CB 4.42Å; Y161-R221 HydrophobicContact CE2-CG 4.5Å; Y161-R221 PolarHBondContact OH-NE 3.04Å; Y161-R221 PolarHBondContact OH-NH1 2.92Å; Y161-R221 PolarHBondContact OH-NH2 3.48Å; Y161-R221 VanDerWaalsContact OH-NH2 3.08Å; M162-R221 HydrophobicContact SD-CG 4.36Å; E197-R221 VanDerWaalsContact CD-NH2 3.26Å; E197-R221 IonicContact OE1-NH2 2.6Å; E197-R221 PolarHBondContact OE1-NH2 3.12Å; E197-R221 IonicContact OE2-CZ 3.35Å; E197-R221 IonicContact OE2-NE 3.97Å; E197-R221 IonicContact OE2-NH2 2.8Å; E197-R221 PolarHBondContact OE2-NH2 3.42Å; G219-R221 PolarHBondContact O-N 3.36Å; G219-R221 VanDerWaalsContact O-N 3.08Å; R221-C223 PolarHBondContact O-N 3.45Å; R221-Y224 PolarHBondContact O-N 2.89Å; R221-D225 WeakPolarHBondContact CB-OD2 3.35Å; R221-D225 PolarHBondContact O-N 3.3Å; R221-D225 VanDerWaalsContact O-N 3.17Å
222	A	95.4	Very high	96.4	Very high	10 Å²	10	51.7 Å²	51.7	8%	0.083	26%	0.264	C	S	.	.	H	α-helix	trans	-56.7	-31.2	-173.1	0	0	0	0	0	113.5	N216 T217 G219 Y224 D225 E226	N216-A222 WeakPolarHBondContact O-CB 3.47Å; T217-A222 VanDerWaalsContact O-CB 3.28Å; T217-A222 WeakPolarHBondContact O-CB 3.41Å; G219-A222 WeakPolarHBondContact O-CB 3.45Å; G219-A222 PolarHBondContact O-N 3.48Å; A222-Y224 PolarHBondContact O-N 3.31Å; A222-D225 PolarHBondContact O-N 3.29Å; A222-E226 VanDerWaalsContact O-CB 3.32Å; A222-E226 WeakPolarHBondContact O-CB 3.39Å; A222-E226 PolarHBondContact O-N 3.47Å
223	C	96.4	Very high	96.4	Very high	10 Å²	10	44.6 Å²	44.6	7%	0.068	25%	0.248	C	C	.	.	H	α-helix	trans	-56.5	-32.9	176.7	64.2	0	0	0	0	113.8	P165 T168 I169 R221	P165-C223 HydrophobicContact CB-CB 3.52Å; T168-C223 HydrophobicContact CG2-CB 4.49Å; T168-C223 WeakPolarHBondContact CG2-O 3.43Å; I169-C223 HydrophobicContact CD1-CB 4.01Å; I169-C223 HydrophobicContact CG1-CB 3.87Å; R221-C223 PolarHBondContact O-N 3.45Å
224	Y	97.5	Very high	96.5	Very high	16 Å²	16	45.3 Å²	45.3	6%	0.063	25%	0.247	C	C	.	.	H	α-helix	trans	-90.3	-48.7	175.1	-179.1	-99.7	0	0	0	110.8	P155 Y161 T168 T195 E197 R221 A222 G227 K228	P155-Y224 WeakPolarHBondContact O-CD2 3.44Å; P155-Y224 VanDerWaalsContact O-CE2 3.25Å; P155-Y224 WeakPolarHBondContact O-CE2 3.34Å; Y161-Y224 HydrophobicContact CD1-CD1 4.4Å; Y161-Y224 AromaticContact CD1-CD2 3.89Å; Y161-Y224 HydrophobicContact CD1-CD2 3.89Å; Y161-Y224 HydrophobicContact CD1-CE2 4.47Å; Y161-Y224 AromaticContact CD1-CG 3.86Å; Y161-Y224 HydrophobicContact CD1-CG 3.86Å; Y161-Y224 HydrophobicContact CD2-CG 4.34Å; Y161-Y224 HydrophobicContact CE1-CD1 4.12Å; Y161-Y224 HydrophobicContact CE1-CD2 4.42Å; Y161-Y224 HydrophobicContact CE1-CG 4.01Å; Y161-Y224 HydrophobicContact CE2-CG 4.49Å; Y161-Y224 HydrophobicContact CG-CD2 4.14Å; Y161-Y224 HydrophobicContact CG-CG 4.05Å; T168-Y224 HydrophobicContact CG2-CD2 4.3Å; T195-Y224 HydrophobicContact CG2-CE1 3.76Å; E197-Y224 HydrophobicContact CB-CD1 4.3Å; E197-Y224 HydrophobicContact CB-CE1 4.12Å; E197-Y224 HydrophobicContact CG-CD1 4.15Å; E197-Y224 HydrophobicContact CG-CE1 3.8Å; R221-Y224 PolarHBondContact O-N 2.89Å; A222-Y224 PolarHBondContact O-N 3.31Å; Y224-G227 PolarHBondContact O-N 3.1Å; Y224-K228 HydrophobicContact CD2-CG 4.47Å; Y224-K228 HydrophobicContact CE1-CG 4.24Å; Y224-K228 HydrophobicContact CE2-CG 4.12Å; Y224-K228 WeakPolarHBondContact O-CG 3.49Å; Y224-K228 PolarHBondContact O-N 2.83Å
225	D	96.7	Very high	96.7	Very high	12 Å²	12	40.6 Å²	40.6	6%	0.064	23%	0.225	C	C	.	.	H	α-helix	trans	-63.9	-53.6	-172.7	-54.3	-16.2	0	0	0	111.4	E197 V215 R221 A222 G227 K228 R229	E197-D225 WeakPolarHBondContact CB-OD1 3.45Å; V215-D225 HydrophobicContact CG1-CB 3.8Å; R221-D225 WeakPolarHBondContact CB-OD2 3.35Å; R221-D225 PolarHBondContact O-N 3.3Å; R221-D225 VanDerWaalsContact O-N 3.17Å; A222-D225 PolarHBondContact O-N 3.29Å; D225-G227 VanDerWaalsContact C-N 3.33Å; D225-G227 PolarHBondContact O-N 2.68Å; D225-K228 PolarHBondContact O-N 2.79Å; D225-R229 VanDerWaalsContact O-CG 3.29Å; D225-R229 WeakPolarHBondContact O-CG 3.36Å; D225-R229 PolarHBondContact O-N 2.83Å
226	E	98.3	Very high	96.9	Very high	57 Å²	57	41.6 Å²	41.6	27%	0.266	23%	0.232	S	C	.	.	H	α-helix	trans	-68.9	-34.1	175.7	-71	-58.8	147.6	0	0	111.7	T217 A222 K228 R229 V230	T217-E226 HydrophobicContact CG2-CG 4.41Å; A222-E226 VanDerWaalsContact O-CB 3.32Å; A222-E226 WeakPolarHBondContact O-CB 3.39Å; A222-E226 PolarHBondContact O-N 3.47Å; E226-K228 VanDerWaalsContact C-N 3.3Å; E226-K228 PolarHBondContact O-N 2.86Å; E226-R229 PolarHBondContact O-N 3.33Å; E226-R229 IonicContact OE1-NE 3.63Å; E226-R229 PolarHBondContact OE1-NE 3.12Å; E226-R229 IonicContact OE2-NE 3.64Å; E226-V230 WeakPolarHBondContact O-CG1 3.28Å; E226-V230 PolarHBondContact O-N 3.14Å
227	G	98.3	Very high	97.1	Very high	3 Å²	3	39.8 Å²	39.8	3%	0.031	23%	0.228	C	C	.	.	H	α-helix	trans	-56.5	-43.2	173.2	0	0	0	0	0	112.4	N172 Y224 D225 V230 A231	N172-G227 WeakPolarHBondContact CB-O 3.36Å; Y224-G227 PolarHBondContact O-N 3.1Å; D225-G227 VanDerWaalsContact C-N 3.33Å; D225-G227 PolarHBondContact O-N 2.68Å; G227-V230 VanDerWaalsContact O-CG1 3.27Å; G227-V230 WeakPolarHBondContact O-CG1 3.47Å; G227-A231 WeakPolarHBondContact O-CB 3.48Å; G227-A231 PolarHBondContact O-N 3.09Å; G227-A231 VanDerWaalsContact O-N 3.17Å
228	K	98.6	Very high	97.2	Very high	7 Å²	7	38.1 Å²	38.1	3%	0.03	21%	0.212	C	C	.	.	H	α-helix	trans	-74.6	-36.5	177	-71	-67.3	-171.1	-178.9	0	112.6	N172 A193 T195 V198 Y224 D225 E226 A231 E232	N172-K228 WeakPolarHBondContact OD1-CD 3.41Å; N172-K228 WeakPolarHBondContact OD1-CE 3.47Å; N172-K228 PolarHBondContact OD1-NZ 3.37Å; A193-K228 PolarHBondContact O-NZ 3.01Å; T195-K228 HydrophobicContact CG2-CB 3.79Å; T195-K228 HydrophobicContact CG2-CD 4.5Å; T195-K228 HydrophobicContact CG2-CG 3.73Å; V198-K228 HydrophobicContact CG1-CB 4.12Å; Y224-K228 HydrophobicContact CD2-CG 4.47Å; Y224-K228 HydrophobicContact CE1-CG 4.24Å; Y224-K228 HydrophobicContact CE2-CG 4.12Å; Y224-K228 WeakPolarHBondContact O-CG 3.49Å; Y224-K228 PolarHBondContact O-N 2.83Å; D225-K228 PolarHBondContact O-N 2.79Å; E226-K228 VanDerWaalsContact C-N 3.3Å; E226-K228 PolarHBondContact O-N 2.86Å; K228-A231 WeakPolarHBondContact O-CB 3.16Å; K228-A231 PolarHBondContact O-N 3.05Å; K228-E232 PolarHBondContact O-N 3.06Å; K228-E232 VanDerWaalsContact O-N 3.09Å
229	R	98.8	Very high	97.3	Very high	77 Å²	77	32.9 Å²	32.9	29%	0.291	19%	0.185	S	C	.	.	H	α-helix	trans	-63.7	-43.3	175.5	-70.6	167.8	62.7	77.7	3.9	112.5	V198 W212 D225 E226 A231 E232 S233	V198-R229 HydrophobicContact CB-CG 3.88Å; V198-R229 HydrophobicContact CG1-CG 3.92Å; V198-R229 PolarHBondContact O-NH1 3.42Å; W212-R229 PolarHBondContact O-NH1 2.87Å; D225-R229 VanDerWaalsContact O-CG 3.29Å; D225-R229 WeakPolarHBondContact O-CG 3.36Å; D225-R229 PolarHBondContact O-N 2.83Å; E226-R229 PolarHBondContact O-N 3.33Å; E226-R229 IonicContact OE1-NE 3.63Å; E226-R229 PolarHBondContact OE1-NE 3.12Å; E226-R229 IonicContact OE2-NE 3.64Å; R229-A231 VanDerWaalsContact C-N 3.34Å; R229-E232 PolarHBondContact O-N 3.26Å; R229-S233 PolarHBondContact O-N 3.2Å; R229-S233 PolarHBondContact O-OG 2.77Å
230	V	98.7	Very high	97.5	Very high	57 Å²	57	40.4 Å²	40.4	35%	0.345	21%	0.214	S	C	.	.	H	α-helix	trans	-69.4	-33.4	175.5	71.6	0	0	0	0	111.6	T173 E226 G227 E232 S233 L234	T173-V230 HydrophobicContact CG2-CG1 3.58Å; E226-V230 WeakPolarHBondContact O-CG1 3.28Å; E226-V230 PolarHBondContact O-N 3.14Å; G227-V230 VanDerWaalsContact O-CG1 3.27Å; G227-V230 WeakPolarHBondContact O-CG1 3.47Å; V230-E232 PolarHBondContact O-N 3.09Å; V230-S233 WeakPolarHBondContact O-CB 3.44Å; V230-S233 PolarHBondContact O-N 3.04Å; V230-S233 VanDerWaalsContact O-N 3.15Å; V230-L234 WeakPolarHBondContact O-CG 3.29Å; V230-L234 PolarHBondContact O-N 3.15Å
231	A	98.8	Very high	97.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.7	-42.4	172.7	0	0	0	0	0	112.4	T176 L192 G227 K228 R229 S233 L234 M235	T176-A231 HydrophobicContact CG2-CB 4.17Å; L192-A231 HydrophobicContact CD1-CB 4.22Å; L192-A231 HydrophobicContact CD2-CB 3.78Å; G227-A231 WeakPolarHBondContact O-CB 3.48Å; G227-A231 PolarHBondContact O-N 3.09Å; G227-A231 VanDerWaalsContact O-N 3.17Å; K228-A231 WeakPolarHBondContact O-CB 3.16Å; K228-A231 PolarHBondContact O-N 3.05Å; R229-A231 VanDerWaalsContact C-N 3.34Å; A231-S233 VanDerWaalsContact C-N 3.3Å; A231-S233 PolarHBondContact O-N 2.83Å; A231-L234 PolarHBondContact O-N 2.74Å; A231-M235 VanDerWaalsContact O-CG 3.26Å; A231-M235 WeakPolarHBondContact O-CG 3.35Å; A231-M235 PolarHBondContact O-N 2.96Å
232	E	98.9	Very high	98.1	Very high	16 Å²	16	46.6 Å²	46.6	8%	0.075	24%	0.239	C	C	.	.	H	α-helix	trans	-60.6	-41.7	172.6	-69.1	-166.4	-175.5	0	0	111.6	L192 S194 K228 R229 V230 L234 M235 V236 I248 R250	L192-E232 HydrophobicContact CD2-CG 4.1Å; S194-E232 VanDerWaalsContact CB-OE1 3.26Å; S194-E232 WeakPolarHBondContact CB-OE1 3.36Å; S194-E232 PolarHBondContact OG-OE1 2.96Å; K228-E232 PolarHBondContact O-N 3.06Å; K228-E232 VanDerWaalsContact O-N 3.09Å; R229-E232 PolarHBondContact O-N 3.26Å; V230-E232 PolarHBondContact O-N 3.09Å; E232-L234 PolarHBondContact O-N 3.28Å; E232-M235 WeakPolarHBondContact O-CB 3.27Å; E232-M235 PolarHBondContact O-N 3.35Å; E232-V236 WeakPolarHBondContact O-CG2 3.11Å; E232-V236 PolarHBondContact O-N 2.92Å; E232-I248 HydrophobicContact CB-CD1 4.47Å; E232-I248 HydrophobicContact CG-CG2 3.82Å; E232-R250 WeakPolarHBondContact OE1-CG 3.39Å; E232-R250 IonicContact OE1-CZ 2.72Å; E232-R250 IonicContact OE1-NE 2.76Å; E232-R250 PolarHBondContact OE1-NE 3.23Å; E232-R250 IonicContact OE1-NH2 3.31Å; E232-R250 IonicContact OE2-CZ 3.18Å; E232-R250 IonicContact OE2-NE 3.06Å; E232-R250 PolarHBondContact OE2-NE 2.8Å; E232-R250 IonicContact OE2-NH2 2.74Å; E232-R250 PolarHBondContact OE2-NH2 3.08Å
233	S	98.8	Very high	98.1	Very high	75 Å²	75	52.6 Å²	52.6	52%	0.524	27%	0.269	S	S	.	.	H	α-helix	trans	-63.9	-41	178.9	-61.9	0	0	0	0	112	R229 V230 A231 V236 A237	R229-S233 PolarHBondContact O-N 3.2Å; R229-S233 PolarHBondContact O-OG 2.77Å; V230-S233 WeakPolarHBondContact O-CB 3.44Å; V230-S233 PolarHBondContact O-N 3.04Å; V230-S233 VanDerWaalsContact O-N 3.15Å; A231-S233 VanDerWaalsContact C-N 3.3Å; A231-S233 PolarHBondContact O-N 2.83Å; S233-V236 PolarHBondContact O-N 3.43Å; S233-A237 WeakPolarHBondContact O-CB 3.49Å; S233-A237 PolarHBondContact O-N 3.5Å
234	L	98.8	Very high	98.2	Very high	35 Å²	35	52.5 Å²	52.5	18%	0.183	27%	0.268	C	S	.	.	H	α-helix	trans	-61	-46.9	173.1	-73.3	168.9	0	0	0	111.4	T176 I177 L180 V230 A231 E232 V236 A237 Y238	T176-L234 HydrophobicContact CG2-CB 4.33Å; T176-L234 HydrophobicContact CG2-CD1 4.26Å; I177-L234 HydrophobicContact CD1-CD1 4.39Å; I177-L234 HydrophobicContact CD1-CD2 4.5Å; I177-L234 HydrophobicContact CG1-CD1 3.83Å; I177-L234 HydrophobicContact CG1-CD2 4.08Å; L180-L234 HydrophobicContact CD1-CB 3.85Å; V230-L234 WeakPolarHBondContact O-CG 3.29Å; V230-L234 PolarHBondContact O-N 3.15Å; A231-L234 PolarHBondContact O-N 2.74Å; E232-L234 PolarHBondContact O-N 3.28Å; L234-V236 VanDerWaalsContact C-N 3.33Å; L234-V236 PolarHBondContact O-N 3.39Å; L234-A237 PolarHBondContact O-N 3.28Å; L234-Y238 WeakPolarHBondContact O-CD2 3.26Å; L234-Y238 PolarHBondContact O-N 3Å
235	M	98.8	Very high	98.2	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-54.7	-50.8	176.7	-65.6	-76.3	-72.1	0	0	110.7	L180 V190 L192 A231 E232 A237 Y238 N239 I246 R247 I248	L180-M235 HydrophobicContact CD1-SD 4.25Å; L180-M235 HydrophobicContact CD2-SD 3.71Å; L180-M235 HydrophobicContact CG-SD 4.17Å; V190-M235 HydrophobicContact CG1-CE 3.89Å; V190-M235 HydrophobicContact CG1-SD 4.22Å; V190-M235 HydrophobicContact CG2-CE 4.25Å; V190-M235 HydrophobicContact CG2-SD 4.37Å; V190-M235 WeakPolarHBondContact O-CE 3.49Å; L192-M235 HydrophobicContact CB-CE 3.74Å; L192-M235 HydrophobicContact CB-CG 3.99Å; L192-M235 HydrophobicContact CB-SD 3.97Å; L192-M235 HydrophobicContact CD2-CG 3.81Å; L192-M235 HydrophobicContact CG-CG 4.47Å; A231-M235 VanDerWaalsContact O-CG 3.26Å; A231-M235 WeakPolarHBondContact O-CG 3.35Å; A231-M235 PolarHBondContact O-N 2.96Å; E232-M235 WeakPolarHBondContact O-CB 3.27Å; E232-M235 PolarHBondContact O-N 3.35Å; M235-A237 PolarHBondContact O-N 3.47Å; M235-Y238 PolarHBondContact O-N 2.89Å; M235-N239 WeakPolarHBondContact O-CB 3.32Å; M235-N239 PolarHBondContact O-N 3.27Å; M235-I246 HydrophobicContact CB-CD1 4.05Å; M235-I246 HydrophobicContact CB-CG2 4.36Å; M235-I246 HydrophobicContact CE-CB 3.68Å; M235-I246 HydrophobicContact CE-CG2 3.87Å; M235-I246 HydrophobicContact SD-CG2 4.44Å; M235-R247 WeakPolarHBondContact CE-O 3.32Å; M235-I248 HydrophobicContact CB-CD1 4.02Å; M235-I248 HydrophobicContact CB-CG1 4.27Å; M235-I248 HydrophobicContact CE-CG1 4.43Å; M235-I248 HydrophobicContact CG-CG1 4.48Å
236	V	98.6	Very high	98.3	Very high	50 Å²	50	57.3 Å²	57.3	30%	0.303	29%	0.289	S	S	.	.	H	α-helix	trans	-65.1	-40.2	-179	175	0	0	0	0	112	E232 S233 L234 N239 K240 I246 I248	E232-V236 WeakPolarHBondContact O-CG2 3.11Å; E232-V236 PolarHBondContact O-N 2.92Å; S233-V236 PolarHBondContact O-N 3.43Å; L234-V236 VanDerWaalsContact C-N 3.33Å; L234-V236 PolarHBondContact O-N 3.39Å; V236-N239 PolarHBondContact O-N 3.4Å; V236-K240 HydrophobicContact CG1-CD 4.15Å; V236-K240 HydrophobicContact CG1-CG 4.42Å; V236-K240 WeakPolarHBondContact O-CG 3.21Å; V236-K240 PolarHBondContact O-N 3.17Å; V236-I246 HydrophobicContact CG2-CD1 4.33Å; V236-I248 HydrophobicContact CG2-CD1 4.13Å
237	A	98.6	Very high	98.3	Very high	47 Å²	47	55.2 Å²	55.2	39%	0.388	28%	0.278	S	S	.	.	H	α-helix	trans	-61.3	-48	177.5	0	0	0	0	0	111.6	S233 L234 M235 N239 K240 Q241	S233-A237 WeakPolarHBondContact O-CB 3.49Å; S233-A237 PolarHBondContact O-N 3.5Å; L234-A237 PolarHBondContact O-N 3.28Å; M235-A237 PolarHBondContact O-N 3.47Å; A237-N239 PolarHBondContact O-N 2.96Å; A237-K240 PolarHBondContact O-N 3.3Å; A237-Q241 WeakPolarHBondContact O-CB 3.42Å; A237-Q241 PolarHBondContact O-N 3.01Å
238	Y	98.5	Very high	98.4	Very high	58 Å²	58	55.1 Å²	55.1	23%	0.227	28%	0.277	C	S	.	.	H	α-helix	trans	-65.6	-35.8	176.6	-88.6	-95.9	0	0	0	112.7	L180 L234 M235 E242 N243 I244	L180-Y238 HydrophobicContact CB-CD1 3.99Å; L180-Y238 HydrophobicContact CB-CD2 4.09Å; L180-Y238 HydrophobicContact CB-CE1 3.99Å; L180-Y238 HydrophobicContact CB-CE2 4.1Å; L180-Y238 HydrophobicContact CB-CG 4.01Å; L180-Y238 HydrophobicContact CD1-CD2 3.66Å; L180-Y238 HydrophobicContact CD1-CE2 4.04Å; L180-Y238 HydrophobicContact CD1-CG 4.11Å; L180-Y238 HydrophobicContact CD2-CG 4.14Å; L180-Y238 HydrophobicContact CG-CD2 4.31Å; L180-Y238 HydrophobicContact CG-CG 4.33Å; L234-Y238 WeakPolarHBondContact O-CD2 3.26Å; L234-Y238 PolarHBondContact O-N 3Å; M235-Y238 PolarHBondContact O-N 2.89Å; Y238-E242 HydrophobicContact CD1-CG 4.3Å; Y238-E242 CarbonylContact O-C 3.54Å; Y238-E242 WeakPolarHBondContact O-CA 3.36Å; Y238-E242 VanDerWaalsContact O-CB 3.32Å; Y238-E242 WeakPolarHBondContact O-CB 3.45Å; Y238-E242 PolarHBondContact O-N 2.95Å; Y238-N243 PolarHBondContact O-N 3.38Å; Y238-I244 HydrophobicContact CD1-CD1 3.53Å; Y238-I244 HydrophobicContact CE1-CD1 4.43Å; Y238-I244 HydrophobicContact CG-CD1 4.18Å
239	N	98.3	Very high	98.4	Very high	43 Å²	43	54.8 Å²	54.8	23%	0.23	28%	0.276	C	S	.	.	H	α-helix	trans	-63.3	-45.1	172.9	175.3	-108.6	0	0	0	111.8	M235 V236 A237 N243 I244 I246	M235-N239 WeakPolarHBondContact O-CB 3.32Å; M235-N239 PolarHBondContact O-N 3.27Å; V236-N239 PolarHBondContact O-N 3.4Å; A237-N239 PolarHBondContact O-N 2.96Å; N239-N243 WeakPolarHBondContact O-CA 3.48Å; N239-N243 PolarHBondContact O-N 2.97Å; N239-N243 VanDerWaalsContact O-N 3.1Å; N239-I244 PolarHBondContact ND2-O 2.92Å; N239-I246 HydrophobicContact CB-CD1 3.58Å; N239-I246 HydrophobicContact CB-CG1 3.75Å; N239-I246 HydrophobicContact CB-CG2 4.04Å
240	K	97.9	Very high	98.4	Very high	172 Å²	172	52.3 Å²	52.3	75%	0.748	27%	0.266	S	S	*	.	H	α-helix	trans	-70.1	-41.9	-179.1	-74.1	-177.4	176.4	-176.9	0	113.3	V236 A237	V236-K240 HydrophobicContact CG1-CD 4.15Å; V236-K240 HydrophobicContact CG1-CG 4.42Å; V236-K240 WeakPolarHBondContact O-CG 3.21Å; V236-K240 PolarHBondContact O-N 3.17Å; A237-K240 PolarHBondContact O-N 3.3Å
241	Q	97.9	Very high	98.4	Very high	158 Å²	158	50.8 Å²	50.8	74%	0.738	26%	0.256	S	S	*	.	H	α-helix	trans	-87.5	-36.7	-173.5	-175.9	172.8	-8	0	0	112.9	A237	A237-Q241 WeakPolarHBondContact O-CB 3.42Å; A237-Q241 PolarHBondContact O-N 3.01Å
242	E	96.9	Very high	98.2	Very high	75 Å²	75	51 Å²	51	35%	0.35	26%	0.257	S	S	.	.	H	α-helix	trans	-119.9	4.2	-169.2	-56.6	-70.2	-176.9	0	0	112.7	K184 Y238 I244	K184-E242 HydrophobicContact CD-CB 4.36Å; K184-E242 HydrophobicContact CD-CG 4.21Å; K184-E242 WeakPolarHBondContact CE-OE2 3.1Å; K184-E242 IonicContact NZ-OE1 3.45Å; K184-E242 PolarHBondContact NZ-OE1 3.46Å; K184-E242 IonicContact NZ-OE2 3.99Å; K184-E242 PolarHBondContact NZ-OE2 3.17Å; Y238-E242 HydrophobicContact CD1-CG 4.3Å; Y238-E242 CarbonylContact O-C 3.54Å; Y238-E242 WeakPolarHBondContact O-CA 3.36Å; Y238-E242 VanDerWaalsContact O-CB 3.32Å; Y238-E242 WeakPolarHBondContact O-CB 3.45Å; Y238-E242 PolarHBondContact O-N 2.95Å; E242-I244 HydrophobicContact CB-CD1 4.49Å; E242-I244 HydrophobicContact CB-CG1 4.09Å; E242-I244 PolarHBondContact O-N 3.39Å; E242-I244 VanDerWaalsContact O-N 3.14Å
243	N	96.4	Very high	98	Very high	137 Å²	137	51.9 Å²	51.9	73%	0.733	26%	0.262	S	S	*	.			trans	54.5	30.8	179	-160.6	33.3	0	0	0	114.3	Y238 N239	Y238-N243 PolarHBondContact O-N 3.38Å; N239-N243 WeakPolarHBondContact O-CA 3.48Å; N239-N243 PolarHBondContact O-N 2.97Å; N239-N243 VanDerWaalsContact O-N 3.1Å
244	I	97.5	Very high	97.8	Very high	8 Å²	8	48.7 Å²	48.7	4%	0.041	24%	0.24	C	C	.	.			trans	-67.4	134.9	175	-58.5	-172	0	0	0	109.3	L180 A183 K184 V190 Y238 N239 E242 I246	L180-I244 HydrophobicContact CD2-CD1 4.45Å; L180-I244 WeakPolarHBondContact O-CD1 3.37Å; A183-I244 HydrophobicContact CB-CG2 4.02Å; K184-I244 HydrophobicContact CB-CD1 3.65Å; K184-I244 HydrophobicContact CB-CG1 4.39Å; K184-I244 HydrophobicContact CG-CD1 4.31Å; V190-I244 HydrophobicContact CG1-CG2 3.89Å; Y238-I244 HydrophobicContact CD1-CD1 3.53Å; Y238-I244 HydrophobicContact CE1-CD1 4.43Å; Y238-I244 HydrophobicContact CG-CD1 4.18Å; N239-I244 PolarHBondContact ND2-O 2.92Å; E242-I244 HydrophobicContact CB-CD1 4.49Å; E242-I244 HydrophobicContact CB-CG1 4.09Å; E242-I244 PolarHBondContact O-N 3.39Å; E242-I244 VanDerWaalsContact O-N 3.14Å; I244-I246 HydrophobicContact CB-CG2 4.42Å; I244-I246 HydrophobicContact CG2-CG2 4.15Å; I244-I246 PolarHBondContact O-N 3.32Å
245	K	98.6	Very high	97.7	Very high	127 Å²	127	47.1 Å²	47.1	55%	0.552	23%	0.231	S	C	*	.			trans	-74.1	108.2	173.6	-63.8	177.7	-176.5	176.4	0	109.1	T189 V190	T189-K245 WeakPolarHBondContact CA-O 3.38Å; T189-K245 HydrophobicContact CG2-CB 3.9Å; T189-K245 WeakPolarHBondContact CG2-O 3.17Å; V190-K245 PolarHBondContact N-O 3.36Å
246	I	98.8	Very high	97.6	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	152.7	-177.3	64.6	165.1	0	0	0	112.2	V190 M235 V236 N239 I244 I248	V190-I246 HydrophobicContact CG1-CG2 4.07Å; V190-I246 CarbonylContact O-C 3.22Å; V190-I246 VanDerWaalsContact O-CA 3.32Å; V190-I246 WeakPolarHBondContact O-CA 3.41Å; M235-I246 HydrophobicContact CB-CD1 4.05Å; M235-I246 HydrophobicContact CB-CG2 4.36Å; M235-I246 HydrophobicContact CE-CB 3.68Å; M235-I246 HydrophobicContact CE-CG2 3.87Å; M235-I246 HydrophobicContact SD-CG2 4.44Å; V236-I246 HydrophobicContact CG2-CD1 4.33Å; N239-I246 HydrophobicContact CB-CD1 3.58Å; N239-I246 HydrophobicContact CB-CG1 3.75Å; N239-I246 HydrophobicContact CB-CG2 4.04Å; I244-I246 HydrophobicContact CB-CG2 4.42Å; I244-I246 HydrophobicContact CG2-CG2 4.15Å; I244-I246 PolarHBondContact O-N 3.32Å; I246-I248 HydrophobicContact CD1-CD1 4.24Å
247	R	98.9	Very high	97.5	Very high	12 Å²	12	45.7 Å²	45.7	5%	0.045	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	138.6	169.2	-56	-65.3	179	-93.2	-1	108.7	T189 V190 L191 L192 M235 L305 S308 Y310	T189-R247 HydrophobicContact CG2-CG 4.18Å; V190-R247 PolarHBondContact O-N 2.65Å; L191-R247 CarbonylContact C-O 3.54Å; L191-R247 VanDerWaalsContact CA-O 3.29Å; L191-R247 WeakPolarHBondContact CA-O 3.49Å; L191-R247 HydrophobicContact CB-CB 3.87Å; L191-R247 HydrophobicContact CD1-CB 3.93Å; L191-R247 HydrophobicContact CG-CB 3.81Å; L192-R247 PolarHBondContact N-O 2.93Å; M235-R247 WeakPolarHBondContact CE-O 3.32Å; R247-L305 HydrophobicContact CB-CD2 4.34Å; R247-L305 HydrophobicContact CB-CG 4.06Å; R247-L305 WeakPolarHBondContact CD-O 3.12Å; R247-L305 PolarHBondContact NE-O 3.42Å; R247-S308 VanDerWaalsContact CZ-O 3.26Å; R247-S308 PolarHBondContact NE-O 3.48Å; R247-S308 VanDerWaalsContact NE-O 3.14Å; R247-S308 PolarHBondContact NH2-O 3.16Å; R247-Y310 WeakPolarHBondContact CD-O 3.29Å
248	I	98.9	Very high	97.3	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	110.8	-178	-58.9	171.6	0	0	0	108.5	E232 M235 V236 I246 P313 V314	E232-I248 HydrophobicContact CB-CD1 4.47Å; E232-I248 HydrophobicContact CG-CG2 3.82Å; M235-I248 HydrophobicContact CB-CD1 4.02Å; M235-I248 HydrophobicContact CB-CG1 4.27Å; M235-I248 HydrophobicContact CE-CG1 4.43Å; M235-I248 HydrophobicContact CG-CG1 4.48Å; V236-I248 HydrophobicContact CG2-CD1 4.13Å; I246-I248 HydrophobicContact CD1-CD1 4.24Å; I248-P313 HydrophobicContact CB-CB 4.33Å; I248-P313 HydrophobicContact CB-CG 4.3Å; I248-P313 HydrophobicContact CD1-CG 4.23Å; I248-P313 HydrophobicContact CG2-CB 4.04Å; I248-P313 HydrophobicContact CG2-CG 4.12Å; I248-P313 WeakPolarHBondContact O-CA 3.4Å; I248-V314 PolarHBondContact O-N 2.83Å
249	A	98.9	Very high	97	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	115.1	175.1	0	0	0	0	0	109.6	L191 L192 S194 I251 L302 L305 I316	L191-A249 HydrophobicContact CD2-CB 4.32Å; L192-A249 PolarHBondContact O-N 2.95Å; S194-A249 CarbonylContact C-O 3.31Å; S194-A249 VanDerWaalsContact C-O 3.25Å; S194-A249 WeakPolarHBondContact CA-O 3.03Å; S194-A249 VanDerWaalsContact CB-O 3.23Å; S194-A249 WeakPolarHBondContact CB-O 3.23Å; S194-A249 PolarHBondContact N-O 2.86Å; A249-I251 HydrophobicContact CB-CG1 4.12Å; A249-I251 PolarHBondContact O-N 3.23Å; A249-L302 HydrophobicContact CB-CD2 3.57Å; A249-L305 HydrophobicContact CB-CD2 3.89Å; A249-I316 HydrophobicContact CB-CD1 3.79Å; A249-I316 HydrophobicContact CB-CG1 4.43Å
250	R	98.8	Very high	96.4	Very high	25 Å²	25	42.1 Å²	42.1	9%	0.094	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	97.1	169.8	-72.7	-179	-179.9	169.3	-0.4	108.7	V198 Y199 E209 E232 P313 V314 N315 I316	V198-R250 HydrophobicContact CG2-CG 4.34Å; Y199-R250 VanDerWaalsContact CE1-NH1 3.27Å; Y199-R250 WeakPolarHBondContact OH-CD 3.03Å; Y199-R250 PolarHBondContact OH-NH1 3.25Å; E209-R250 PolarHBondContact O-NH1 3.03Å; E232-R250 WeakPolarHBondContact OE1-CG 3.39Å; E232-R250 IonicContact OE1-CZ 2.72Å; E232-R250 IonicContact OE1-NE 2.76Å; E232-R250 PolarHBondContact OE1-NE 3.23Å; E232-R250 IonicContact OE1-NH2 3.31Å; E232-R250 IonicContact OE2-CZ 3.18Å; E232-R250 IonicContact OE2-NE 3.06Å; E232-R250 PolarHBondContact OE2-NE 2.8Å; E232-R250 IonicContact OE2-NH2 2.74Å; E232-R250 PolarHBondContact OE2-NH2 3.08Å; R250-P313 HydrophobicContact CG-CB 4.41Å; R250-V314 PolarHBondContact N-O 2.88Å; R250-N315 WeakPolarHBondContact O-CA 3.42Å; R250-I316 PolarHBondContact O-N 3.18Å
251	I	98.4	Very high	95.6	Very high	25 Å²	25	34.8 Å²	34.8	13%	0.128	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	126.8	-170.9	-57.7	173.7	0	0	0	110.1	A193 S194 T195 S196 A249 L298 L302	A193-I251 HydrophobicContact CB-CD1 3.73Å; S194-I251 PolarHBondContact O-N 3.45Å; T195-I251 CarbonylContact C-O 3.53Å; T195-I251 WeakPolarHBondContact CA-O 3.44Å; S196-I251 PolarHBondContact N-O 3.4Å; A249-I251 HydrophobicContact CB-CG1 4.12Å; A249-I251 PolarHBondContact O-N 3.23Å; I251-L298 HydrophobicContact CB-CD1 4.44Å; I251-L298 HydrophobicContact CD1-CD1 4.09Å; I251-L298 HydrophobicContact CD1-CD2 4.38Å; I251-L298 HydrophobicContact CG1-CD1 3.91Å; I251-L298 HydrophobicContact CG2-CD1 3.83Å; I251-L298 HydrophobicContact CG2-CD2 3.73Å; I251-L298 HydrophobicContact CG2-CG 4.45Å; I251-L302 HydrophobicContact CD1-CD2 4.26Å
252	F	96	Very high	94.7	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.018	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-89.3	172.7	172.4	-78.3	-110.9	0	0	0	111.2	Y199 Q207 T254 N315 I316 R355 P357	Y199-F252 HydrophobicContact CD2-CZ 4.19Å; Y199-F252 HydrophobicContact CE2-CE2 4.05Å; Y199-F252 AromaticContact CE2-CZ 3.8Å; Y199-F252 HydrophobicContact CE2-CZ 3.8Å; Q207-F252 HydrophobicContact CB-CZ 4.45Å; F252-T254 PolarHBondContact O-N 3.49Å; F252-T254 PolarHBondContact O-OG1 2.81Å; F252-N315 HydrophobicContact CE2-CB 3.99Å; F252-N315 WeakPolarHBondContact CE2-OD1 3.3Å; F252-I316 PolarHBondContact N-O 3.22Å; F252-R355 HydrophobicContact CD1-CG 3.83Å; F252-R355 HydrophobicContact CE1-CG 3.67Å; F252-P357 HydrophobicContact CD1-CB 3.77Å; F252-P357 HydrophobicContact CD1-CG 3.96Å; F252-P357 HydrophobicContact CD2-CB 3.71Å; F252-P357 HydrophobicContact CD2-CG 4.44Å; F252-P357 HydrophobicContact CE1-CB 3.65Å; F252-P357 HydrophobicContact CE1-CG 4.23Å; F252-P357 HydrophobicContact CE2-CB 3.62Å; F252-P357 HydrophobicContact CG-CB 3.8Å; F252-P357 HydrophobicContact CG-CG 4.08Å; F252-P357 HydrophobicContact CZ-CB 3.58Å
253	N	93.3	Very high	93.7	Very high	36 Å²	36	29 Å²	29	19%	0.193	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-53	116.4	-173.2	-63.6	19.9	0	0	0	111.2	S291 F292 Q293 R355	N253-S291 WeakPolarHBondContact CB-O 3.25Å; N253-F292 HydrophobicContact CB-CD1 3.89Å; N253-F292 HydrophobicContact CB-CE1 4.08Å; N253-F292 WeakPolarHBondContact O-CA 3.12Å; N253-Q293 PolarHBondContact O-N 3.18Å; N253-R355 PolarHBondContact OD1-NH1 3.29Å
254	T	95.9	Very high	92.6	Very high	8 Å²	8	24 Å²	24	5%	0.049	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	139.2	-175.8	-60.6	0	0	0	0	110.3	F92 F252 R265 Q293 V295 L298	F92-T254 HydrophobicContact CE1-CG2 4.19Å; F92-T254 HydrophobicContact CZ-CG2 4.28Å; F252-T254 PolarHBondContact O-N 3.49Å; F252-T254 PolarHBondContact O-OG1 2.81Å; T254-R265 PolarHBondContact O-NH1 2.72Å; T254-Q293 CarbonylContact C-O 3.57Å; T254-Q293 VanDerWaalsContact CA-O 3.25Å; T254-Q293 WeakPolarHBondContact CA-O 3.15Å; T254-V295 HydrophobicContact CG2-CB 4.06Å; T254-V295 HydrophobicContact CG2-CG2 4.35Å; T254-L298 HydrophobicContact CG2-CB 4.13Å; T254-L298 HydrophobicContact CG2-CD2 3.78Å
255	F	96	Very high	91.9	Very high	1 Å²	1	26.6 Å²	26.6	0%	0.004	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	160	178.7	78.4	-80.4	0	0	0	113	F92 M259 V267 F292 Q293 Y294 V295 M374 G377 L378 T381	F92-F255 VanDerWaalsContact CZ-C 3.48Å; F255-M259 WeakPolarHBondContact CA-SD 2.99Å; F255-M259 HydrophobicContact CB-CE 4.46Å; F255-M259 HydrophobicContact CB-SD 3.75Å; F255-V267 HydrophobicContact CB-CB 4.22Å; F255-V267 HydrophobicContact CB-CG1 3.94Å; F255-V267 HydrophobicContact CB-CG2 4.08Å; F255-V267 HydrophobicContact CD2-CG1 4.08Å; F255-V267 HydrophobicContact CG-CG1 4.14Å; F255-F292 HydrophobicContact CD1-CB 3.79Å; F255-F292 HydrophobicContact CE1-CB 3.9Å; F255-Q293 WeakPolarHBondContact CD1-O 3.42Å; F255-Q293 PolarHBondContact N-O 3.06Å; F255-Y294 HydrophobicContact CD2-CD2 4.31Å; F255-Y294 AromaticContact CE2-CD2 3.88Å; F255-Y294 HydrophobicContact CE2-CD2 3.88Å; F255-Y294 HydrophobicContact CZ-CD2 4.04Å; F255-V295 PolarHBondContact O-N 3.23Å; F255-M374 HydrophobicContact CZ-CG 4.45Å; F255-G377 VanDerWaalsContact CE2-C 3.43Å; F255-L378 HydrophobicContact CD2-CD2 4.11Å; F255-L378 HydrophobicContact CE2-CB 4.44Å; F255-L378 HydrophobicContact CE2-CD2 3.7Å; F255-L378 HydrophobicContact CE2-CG 3.87Å; F255-L378 HydrophobicContact CZ-CD2 4.25Å; F255-L378 HydrophobicContact CZ-CG 4.09Å; F255-T381 HydrophobicContact CD2-CG2 4.46Å
256	G	96.8	Very high	91.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.116	C	C	.	.			trans	160.4	-179.2	-179.6	0	0	0	0	0	114.2	M259 T381	G256-M259 PolarHBondContact N-SD 3.37Å; G256-M259 WeakPolarHBondContact O-CG 3.12Å; G256-T381 WeakPolarHBondContact CA-OG1 3.25Å
257	P	96.4	Very high	90.6	Very high	21 Å²	21	22.2 Å²	22.2	14%	0.136	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	153.2	171.3	-25.8	35.5	0	0	0	112.5	F92 H96 M259 Y384	F92-P257 WeakPolarHBondContact CD2-O 3.23Å; F92-P257 WeakPolarHBondContact CE2-O 3.2Å; H96-P257 PolarHBondContact NE2-O 3.26Å; P257-M259 PolarHBondContact O-N 3Å; P257-Y384 HydrophobicContact CB-CD1 4.36Å; P257-Y384 HydrophobicContact CB-CD2 3.76Å; P257-Y384 HydrophobicContact CB-CE2 4.43Å; P257-Y384 HydrophobicContact CB-CG 3.73Å
258	R	95.2	Very high	90.1	Very high	47 Å²	47	21.7 Å²	21.7	18%	0.177	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	3.6	-177.5	-50.9	176.4	-175.8	151.7	2.3	116.3	F92 S95 D99 Y384	F92-R258 HydrophobicContact CD2-CB 4.41Å; S95-R258 VanDerWaalsContact C-NH1 3.35Å; S95-R258 PolarHBondContact O-NH1 3.35Å; S95-R258 WeakPolarHBondContact OG-CD 3.41Å; S95-R258 PolarHBondContact OG-NH1 2.91Å; D99-R258 IonicContact OD2-CZ 2.71Å; D99-R258 IonicContact OD2-NH1 2.78Å; D99-R258 PolarHBondContact OD2-NH1 3.12Å; D99-R258 IonicContact OD2-NH2 3.94Å; D99-R258 PolarHBondContact OD2-NH2 2.97Å; R258-Y384 WeakPolarHBondContact CA-OH 3.28Å; R258-Y384 HydrophobicContact CG-CE2 4.15Å
259	M	91.8	Very high	89.6	Confident	4 Å²	4	23.6 Å²	23.6	2%	0.02	13%	0.125	C	C	.	.			trans	-57.5	144.7	161.2	-73.8	178.5	81.7	0	0	110.4	F92 F255 G256 P257 F385	F92-M259 HydrophobicContact CD1-CG 3.6Å; F92-M259 HydrophobicContact CD2-CG 3.78Å; F92-M259 HydrophobicContact CE1-CG 3.47Å; F92-M259 VanDerWaalsContact CE1-CG 3.47Å; F92-M259 HydrophobicContact CE1-SD 4.1Å; F92-M259 HydrophobicContact CE2-CG 3.67Å; F92-M259 HydrophobicContact CG-CG 3.76Å; F92-M259 HydrophobicContact CZ-CG 3.5Å; F92-M259 HydrophobicContact CZ-SD 4.11Å; F255-M259 WeakPolarHBondContact CA-SD 2.99Å; F255-M259 HydrophobicContact CB-CE 4.46Å; F255-M259 HydrophobicContact CB-SD 3.75Å; G256-M259 PolarHBondContact N-SD 3.37Å; G256-M259 WeakPolarHBondContact O-CG 3.12Å; P257-M259 PolarHBondContact O-N 3Å; M259-F385 HydrophobicContact CB-CZ 3.93Å
260	H	84.4	Confident	89.4	Confident	21 Å²	21	23.8 Å²	23.8	10%	0.097	13%	0.125	C	C	.	.			trans	-65.9	140.9	176.7	-163.3	-84.2	0	0	0	109.6	R118 N262 D263	R118-H260 PolarHBondContact NH2-CD2 3.32Å; R118-H260 PolarHBondContact NH2-NE2 2.88Å; H260-N262 PolarHBondContact ND1-N 3.36Å; H260-N262 VanDerWaalsContact ND1-N 3.12Å; H260-D263 HydrophobicContact CB-CB 3.95Å; H260-D263 WeakPolarHBondContact O-CB 3.05Å; H260-D263 PolarHBondContact O-N 3.28Å
261	M	81.5	Confident	89.1	Confident	18 Å²	18	22.6 Å²	22.6	9%	0.089	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-43.6	179.2	-72.7	179.3	71.2	0	0	111.3	D263 I272 F385 E388 I389 V399	M261-D263 PolarHBondContact O-N 3.49Å; M261-I272 HydrophobicContact CB-CD1 3.69Å; M261-I272 HydrophobicContact CE-CD1 4.28Å; M261-I272 HydrophobicContact CE-CG1 4.47Å; M261-I272 HydrophobicContact CG-CD1 4.1Å; M261-I272 WeakPolarHBondContact O-CD1 3.45Å; M261-F385 HydrophobicContact CB-CE1 4.48Å; M261-F385 HydrophobicContact CG-CD1 3.84Å; M261-F385 HydrophobicContact CG-CE1 3.75Å; M261-E388 HydrophobicContact SD-CB 4.27Å; M261-I389 HydrophobicContact CE-CD1 4.27Å; M261-I389 HydrophobicContact CE-CG1 3.55Å; M261-V399 HydrophobicContact SD-CG2 4.42Å
262	N	78.6	Confident	88.8	Confident	103 Å²	103	22.3 Å²	22.3	55%	0.551	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	33.5	175.2	-54.8	-17	0	0	0	111.3	H260 G264	H260-N262 PolarHBondContact ND1-N 3.36Å; H260-N262 VanDerWaalsContact ND1-N 3.12Å; N262-G264 PolarHBondContact O-N 3.03Å
263	D	76.1	Confident	88.7	Confident	9 Å²	9	23.7 Å²	23.7	5%	0.048	13%	0.126	C	C	.	.			trans	-62.7	-29.2	-179.8	175.8	90.4	0	0	0	112	S157 H260 M261 R265	S157-D263 WeakPolarHBondContact CB-O 3.25Å; S157-D263 PolarHBondContact OG-O 3.4Å; H260-D263 HydrophobicContact CB-CB 3.95Å; H260-D263 WeakPolarHBondContact O-CB 3.05Å; H260-D263 PolarHBondContact O-N 3.28Å; M261-D263 PolarHBondContact O-N 3.49Å; D263-R265 VanDerWaalsContact CG-NE 3.3Å; D263-R265 VanDerWaalsContact CG-NH2 3.3Å; D263-R265 PolarHBondContact O-N 3.33Å; D263-R265 IonicContact OD1-CZ 3.38Å; D263-R265 IonicContact OD1-NE 3.3Å; D263-R265 PolarHBondContact OD1-NE 2.87Å; D263-R265 IonicContact OD1-NH2 3.69Å; D263-R265 PolarHBondContact OD1-NH2 3.12Å; D263-R265 WeakPolarHBondContact OD2-CB 3.39Å; D263-R265 WeakPolarHBondContact OD2-CD 3.45Å; D263-R265 WeakPolarHBondContact OD2-CG 3.16Å; D263-R265 IonicContact OD2-CZ 3.26Å; D263-R265 PolarHBondContact OD2-N 3.02Å; D263-R265 IonicContact OD2-NE 3.62Å; D263-R265 PolarHBondContact OD2-NE 3.01Å; D263-R265 IonicContact OD2-NH2 2.97Å; D263-R265 PolarHBondContact OD2-NH2 3.46Å
264	G	73.6	Confident	88.7	Confident	32 Å²	32	22 Å²	22	33%	0.33	12%	0.118	S	C	.	.			trans	82.6	-6.8	176.4	0	0	0	0	0	114.2	N262 N269	N262-G264 PolarHBondContact O-N 3.03Å; G264-N269 PolarHBondContact O-ND2 2.9Å
265	R	82.3	Confident	88.6	Confident	62 Å²	62	23.3 Å²	23.3	23%	0.234	12%	0.124	C	C	.	.	S	Bend	trans	-75.9	157	170.2	-67.6	176.7	-78.9	166.4	3.1	111.2	T254 D263 V267 S268 N269	T254-R265 PolarHBondContact O-NH1 2.72Å; D263-R265 VanDerWaalsContact CG-NE 3.3Å; D263-R265 VanDerWaalsContact CG-NH2 3.3Å; D263-R265 PolarHBondContact O-N 3.33Å; D263-R265 IonicContact OD1-CZ 3.38Å; D263-R265 IonicContact OD1-NE 3.3Å; D263-R265 PolarHBondContact OD1-NE 2.87Å; D263-R265 IonicContact OD1-NH2 3.69Å; D263-R265 PolarHBondContact OD1-NH2 3.12Å; D263-R265 WeakPolarHBondContact OD2-CB 3.39Å; D263-R265 WeakPolarHBondContact OD2-CD 3.45Å; D263-R265 WeakPolarHBondContact OD2-CG 3.16Å; D263-R265 IonicContact OD2-CZ 3.26Å; D263-R265 PolarHBondContact OD2-N 3.02Å; D263-R265 IonicContact OD2-NE 3.62Å; D263-R265 PolarHBondContact OD2-NE 3.01Å; D263-R265 IonicContact OD2-NH2 2.97Å; D263-R265 PolarHBondContact OD2-NH2 3.46Å; R265-V267 PolarHBondContact O-N 3.33Å; R265-S268 PolarHBondContact O-N 2.98Å; R265-S268 PolarHBondContact O-OG 2.93Å; R265-N269 PolarHBondContact O-N 3.23Å; R265-N269 VanDerWaalsContact O-N 3.15Å; R265-N269 PolarHBondContact O-OD1 3.14Å
266	V	85.3	Confident	88.4	Confident	35 Å²	35	27.1 Å²	27.1	21%	0.212	14%	0.142	C	C	.	.	H	α-helix	trans	-58.7	-41.4	-170.5	67.2	0	0	0	0	114.1	N269 F270 F292 I324	V266-N269 PolarHBondContact O-N 3.49Å; V266-F270 HydrophobicContact CG2-CD1 4.09Å; V266-F270 HydrophobicContact CG2-CD2 3.86Å; V266-F270 HydrophobicContact CG2-CE1 3.6Å; V266-F270 HydrophobicContact CG2-CE2 3.35Å; V266-F270 HydrophobicContact CG2-CG 4.21Å; V266-F270 HydrophobicContact CG2-CZ 3.22Å; V266-F270 WeakPolarHBondContact O-CB 3.26Å; V266-F270 WeakPolarHBondContact O-CD1 3.18Å; V266-F270 VanDerWaalsContact O-CG 3.28Å; V266-F270 WeakPolarHBondContact O-CG 3.21Å; V266-F270 PolarHBondContact O-N 3.33Å; V266-F292 HydrophobicContact CG1-CE1 3.74Å; V266-F292 HydrophobicContact CG1-CE2 4.47Å; V266-F292 HydrophobicContact CG1-CZ 3.37Å; V266-I324 HydrophobicContact CG1-CD1 4.36Å; V266-I324 HydrophobicContact CG2-CD1 4.2Å; V266-I324 HydrophobicContact CG2-CG2 4.34Å
267	V	86.1	Confident	88.1	Confident	3 Å²	3	31.2 Å²	31.2	2%	0.018	16%	0.164	C	C	.	.	H	α-helix	trans	-63.3	-50.3	-178.1	-170.6	0	0	0	0	112.1	F255 R265 I271 F292 F327 I331 L378	F255-V267 HydrophobicContact CB-CB 4.22Å; F255-V267 HydrophobicContact CB-CG1 3.94Å; F255-V267 HydrophobicContact CB-CG2 4.08Å; F255-V267 HydrophobicContact CD2-CG1 4.08Å; F255-V267 HydrophobicContact CG-CG1 4.14Å; R265-V267 PolarHBondContact O-N 3.33Å; V267-I271 HydrophobicContact CG1-CD1 3.84Å; V267-I271 VanDerWaalsContact O-CG1 3.28Å; V267-I271 WeakPolarHBondContact O-CG1 3.4Å; V267-I271 PolarHBondContact O-N 3.38Å; V267-I271 VanDerWaalsContact O-N 3.16Å; V267-F292 HydrophobicContact CG2-CD1 3.61Å; V267-F292 HydrophobicContact CG2-CE1 3.5Å; V267-F292 VanDerWaalsContact CG2-CE1 3.5Å; V267-F292 HydrophobicContact CG2-CG 4.28Å; V267-F292 HydrophobicContact CG2-CZ 4.08Å; V267-F327 HydrophobicContact CB-CE1 4.12Å; V267-F327 HydrophobicContact CB-CZ 4.28Å; V267-F327 HydrophobicContact CG1-CE1 4.15Å; V267-F327 HydrophobicContact CG1-CZ 3.99Å; V267-F327 HydrophobicContact CG2-CE1 3.66Å; V267-F327 HydrophobicContact CG2-CZ 3.66Å; V267-I331 HydrophobicContact CG1-CD1 4.49Å; V267-L378 HydrophobicContact CG1-CD2 3.93Å
268	S	87.2	Confident	88	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64.3	-42.1	179	42.9	0	0	0	0	111.6	R265 I272	R265-S268 PolarHBondContact O-N 2.98Å; R265-S268 PolarHBondContact O-OG 2.93Å; S268-I272 WeakPolarHBondContact O-CB 3.27Å; S268-I272 WeakPolarHBondContact O-CD1 3.45Å; S268-I272 VanDerWaalsContact O-CG1 3.23Å; S268-I272 WeakPolarHBondContact O-CG1 3.44Å; S268-I272 PolarHBondContact O-N 2.69Å
269	N	89.6	Confident	88	Confident	41 Å²	41	36.4 Å²	36.4	22%	0.219	19%	0.192	C	C	.	.	H	α-helix	trans	-63.1	-48.2	-178.8	-71.4	1.9	0	0	0	111.3	G264 R265 V266 I271 I272 Q273	G264-N269 PolarHBondContact O-ND2 2.9Å; R265-N269 PolarHBondContact O-N 3.23Å; R265-N269 VanDerWaalsContact O-N 3.15Å; R265-N269 PolarHBondContact O-OD1 3.14Å; V266-N269 PolarHBondContact O-N 3.49Å; N269-I271 PolarHBondContact O-N 2.61Å; N269-I272 PolarHBondContact O-N 3.28Å; N269-Q273 VanDerWaalsContact O-CB 3.32Å; N269-Q273 WeakPolarHBondContact O-CB 3.43Å; N269-Q273 VanDerWaalsContact O-CG 3.23Å; N269-Q273 WeakPolarHBondContact O-CG 3.35Å; N269-Q273 PolarHBondContact O-N 3.35Å; N269-Q273 PolarHBondContact O-OE1 2.91Å
270	F	93.6	Very high	88.1	Confident	4 Å²	4	36.2 Å²	36.2	2%	0.018	19%	0.191	C	C	.	.	H	α-helix	trans	-63.6	-43.9	-179	-70.4	2.9	0	0	0	111.7	V266 I272 Q273 A274 I280 T281 I282 I324 F327 A328 I331	V266-F270 HydrophobicContact CG2-CD1 4.09Å; V266-F270 HydrophobicContact CG2-CD2 3.86Å; V266-F270 HydrophobicContact CG2-CE1 3.6Å; V266-F270 HydrophobicContact CG2-CE2 3.35Å; V266-F270 HydrophobicContact CG2-CG 4.21Å; V266-F270 HydrophobicContact CG2-CZ 3.22Å; V266-F270 WeakPolarHBondContact O-CB 3.26Å; V266-F270 WeakPolarHBondContact O-CD1 3.18Å; V266-F270 VanDerWaalsContact O-CG 3.28Å; V266-F270 WeakPolarHBondContact O-CG 3.21Å; V266-F270 PolarHBondContact O-N 3.33Å; F270-I272 VanDerWaalsContact C-N 3.35Å; F270-I272 PolarHBondContact O-N 3.26Å; F270-Q273 PolarHBondContact O-N 3.2Å; F270-A274 VanDerWaalsContact O-CB 3.25Å; F270-A274 WeakPolarHBondContact O-CB 3.45Å; F270-A274 PolarHBondContact O-N 3.1Å; F270-I280 HydrophobicContact CB-CG2 4.16Å; F270-I280 HydrophobicContact CD1-CG2 3.45Å; F270-I280 VanDerWaalsContact CD1-CG2 3.45Å; F270-I280 HydrophobicContact CD2-CG2 4.06Å; F270-I280 HydrophobicContact CE1-CG2 3.74Å; F270-I280 HydrophobicContact CE2-CG2 4.3Å; F270-I280 HydrophobicContact CG-CG2 3.63Å; F270-I280 HydrophobicContact CZ-CG2 4.14Å; F270-T281 VanDerWaalsContact CE1-O 3.3Å; F270-T281 WeakPolarHBondContact CE1-O 3.46Å; F270-I282 HydrophobicContact CZ-CG1 3.95Å; F270-I324 HydrophobicContact CE2-CG2 3.88Å; F270-I324 HydrophobicContact CZ-CG2 3.7Å; F270-F327 HydrophobicContact CD2-CD1 4.02Å; F270-F327 HydrophobicContact CE2-CD1 4.32Å; F270-A328 HydrophobicContact CD2-CB 3.97Å; F270-A328 HydrophobicContact CE2-CB 3.66Å; F270-A328 HydrophobicContact CZ-CB 4.32Å; F270-I331 HydrophobicContact CB-CB 4.41Å; F270-I331 HydrophobicContact CB-CD1 3.69Å; F270-I331 HydrophobicContact CB-CG2 4.02Å; F270-I331 HydrophobicContact CD2-CD1 4.13Å; F270-I331 HydrophobicContact CG-CD1 4.43Å
271	I	93.2	Very high	88.5	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.9	-43.7	178.7	-68.2	171.1	0	0	0	110.6	V267 N269 A274 L275 I331 L378 T381 V382 F385	V267-I271 HydrophobicContact CG1-CD1 3.84Å; V267-I271 VanDerWaalsContact O-CG1 3.28Å; V267-I271 WeakPolarHBondContact O-CG1 3.4Å; V267-I271 PolarHBondContact O-N 3.38Å; V267-I271 VanDerWaalsContact O-N 3.16Å; N269-I271 PolarHBondContact O-N 2.61Å; I271-A274 PolarHBondContact O-N 2.96Å; I271-L275 HydrophobicContact CG2-CD1 3.59Å; I271-L275 HydrophobicContact CG2-CG 4.26Å; I271-L275 VanDerWaalsContact O-CB 3.29Å; I271-L275 WeakPolarHBondContact O-CB 3.49Å; I271-L275 VanDerWaalsContact O-CG 3.26Å; I271-L275 WeakPolarHBondContact O-CG 3.35Å; I271-L275 PolarHBondContact O-N 3Å; I271-I331 HydrophobicContact CB-CG2 4.37Å; I271-I331 HydrophobicContact CG1-CD1 4.01Å; I271-I331 HydrophobicContact CG1-CG1 4.24Å; I271-I331 HydrophobicContact CG1-CG2 3.72Å; I271-L378 HydrophobicContact CD1-CD2 4.31Å; I271-T381 HydrophobicContact CD1-CG2 3.72Å; I271-V382 HydrophobicContact CD1-CG2 4.07Å; I271-V382 HydrophobicContact CG1-CG2 4.02Å; I271-V382 HydrophobicContact CG2-CB 4.48Å; I271-V382 HydrophobicContact CG2-CG2 3.94Å; I271-F385 HydrophobicContact CB-CD2 4.32Å; I271-F385 HydrophobicContact CD1-CD2 4.35Å; I271-F385 HydrophobicContact CG2-CB 4.02Å; I271-F385 HydrophobicContact CG2-CD2 3.74Å; I271-F385 HydrophobicContact CG2-CG 4.24Å
272	I	91.8	Very high	88.9	Confident	19 Å²	19	35.8 Å²	35.8	10%	0.097	19%	0.191	C	C	.	.	H	α-helix	trans	-69	-41.6	-179.9	-68.7	165.5	0	0	0	111.3	M261 S268 N269 F270 L275 Q276 F385	M261-I272 HydrophobicContact CB-CD1 3.69Å; M261-I272 HydrophobicContact CE-CD1 4.28Å; M261-I272 HydrophobicContact CE-CG1 4.47Å; M261-I272 HydrophobicContact CG-CD1 4.1Å; M261-I272 WeakPolarHBondContact O-CD1 3.45Å; S268-I272 WeakPolarHBondContact O-CB 3.27Å; S268-I272 WeakPolarHBondContact O-CD1 3.45Å; S268-I272 VanDerWaalsContact O-CG1 3.23Å; S268-I272 WeakPolarHBondContact O-CG1 3.44Å; S268-I272 PolarHBondContact O-N 2.69Å; N269-I272 PolarHBondContact O-N 3.28Å; F270-I272 VanDerWaalsContact C-N 3.35Å; F270-I272 PolarHBondContact O-N 3.26Å; I272-L275 PolarHBondContact O-N 2.94Å; I272-Q276 HydrophobicContact CG2-CG 4.39Å; I272-Q276 WeakPolarHBondContact O-CB 3.43Å; I272-Q276 VanDerWaalsContact O-CG 3.29Å; I272-Q276 WeakPolarHBondContact O-CG 3.43Å; I272-Q276 PolarHBondContact O-N 2.57Å; I272-F385 HydrophobicContact CD1-CD1 4.47Å; I272-F385 HydrophobicContact CD1-CE1 4.38Å; I272-F385 HydrophobicContact CG1-CD1 4.45Å
273	Q	94	Very high	89.3	Confident	33 Å²	33	35 Å²	35	15%	0.154	18%	0.181	C	C	.	.	H	α-helix	trans	-59	-49	174.7	-76.3	166	-21.1	0	0	110.4	N269 F270 Q276 D277 K278 P279 I280 T281 S340	N269-Q273 VanDerWaalsContact O-CB 3.32Å; N269-Q273 WeakPolarHBondContact O-CB 3.43Å; N269-Q273 VanDerWaalsContact O-CG 3.23Å; N269-Q273 WeakPolarHBondContact O-CG 3.35Å; N269-Q273 PolarHBondContact O-N 3.35Å; N269-Q273 PolarHBondContact O-OE1 2.91Å; F270-Q273 PolarHBondContact O-N 3.2Å; Q273-Q276 CarbonylContact O-C 3.51Å; Q273-Q276 PolarHBondContact O-N 3.2Å; Q273-D277 PolarHBondContact O-N 3.04Å; Q273-K278 HydrophobicContact CB-CB 4.41Å; Q273-K278 HydrophobicContact CG-CB 4.5Å; Q273-K278 PolarHBondContact O-N 2.81Å; Q273-P279 VanDerWaalsContact CD-O 3.26Å; Q273-P279 WeakPolarHBondContact CG-O 3.41Å; Q273-I280 HydrophobicContact CB-CG1 4.16Å; Q273-I280 VanDerWaalsContact OE1-CA 3.32Å; Q273-T281 PolarHBondContact NE2-OG1 3.02Å; Q273-T281 VanDerWaalsContact OE1-N 3.16Å; Q273-S340 PolarHBondContact O-OG 3.34Å
274	A	94.3	Very high	89.7	Confident	2 Å²	2	35.3 Å²	35.3	2%	0.017	19%	0.186	C	C	.	.	H	α-helix	trans	-61.6	-44.3	177.2	0	0	0	0	0	113	F270 I271 Q276 D277 I280 I331 V335 S338 S340	F270-A274 VanDerWaalsContact O-CB 3.25Å; F270-A274 WeakPolarHBondContact O-CB 3.45Å; F270-A274 PolarHBondContact O-N 3.1Å; I271-A274 PolarHBondContact O-N 2.96Å; A274-Q276 VanDerWaalsContact C-N 3.27Å; A274-Q276 PolarHBondContact O-N 3.26Å; A274-D277 PolarHBondContact O-N 3.25Å; A274-I280 HydrophobicContact CB-CD1 4.18Å; A274-I331 HydrophobicContact CB-CG2 4.24Å; A274-V335 HydrophobicContact CB-CB 4.1Å; A274-V335 HydrophobicContact CB-CG1 4.41Å; A274-V335 HydrophobicContact CB-CG2 3.78Å; A274-S338 PolarHBondContact O-OG 2.85Å; A274-S338 VanDerWaalsContact O-OG 3.07Å; A274-S340 WeakPolarHBondContact CA-OG 3.35Å
275	L	92.8	Very high	90.2	Very high	35 Å²	35	38.7 Å²	38.7	18%	0.183	20%	0.197	C	C	.	.	H	α-helix	trans	-68.1	-23.6	178.4	-77.6	168.8	0	0	0	113.7	I271 I272 V335 V382 F385 R386 I389	I271-L275 HydrophobicContact CG2-CD1 3.59Å; I271-L275 HydrophobicContact CG2-CG 4.26Å; I271-L275 VanDerWaalsContact O-CB 3.29Å; I271-L275 WeakPolarHBondContact O-CB 3.49Å; I271-L275 VanDerWaalsContact O-CG 3.26Å; I271-L275 WeakPolarHBondContact O-CG 3.35Å; I271-L275 PolarHBondContact O-N 3Å; I272-L275 PolarHBondContact O-N 2.94Å; L275-V335 HydrophobicContact CD2-CG1 3.71Å; L275-V335 HydrophobicContact CD2-CG2 4.41Å; L275-V335 HydrophobicContact CG-CG1 4.11Å; L275-V335 HydrophobicContact CG-CG2 4.27Å; L275-V382 HydrophobicContact CD2-CG1 4.34Å; L275-F385 HydrophobicContact CD1-CB 3.67Å; L275-R386 HydrophobicContact CD1-CB 4.46Å; L275-R386 HydrophobicContact CD2-CB 4.02Å; L275-R386 HydrophobicContact CD2-CG 4.28Å; L275-I389 HydrophobicContact CB-CD1 3.85Å; L275-I389 HydrophobicContact CD1-CD1 3.97Å
276	Q	91.4	Very high	90.3	Very high	80 Å²	80	36 Å²	36	37%	0.374	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	4.9	177.4	-66.3	-176	-11.1	0	0	112.8	I272 Q273 A274 K278 I389	I272-Q276 HydrophobicContact CG2-CG 4.39Å; I272-Q276 WeakPolarHBondContact O-CB 3.43Å; I272-Q276 VanDerWaalsContact O-CG 3.29Å; I272-Q276 WeakPolarHBondContact O-CG 3.43Å; I272-Q276 PolarHBondContact O-N 2.57Å; Q273-Q276 CarbonylContact O-C 3.51Å; Q273-Q276 PolarHBondContact O-N 3.2Å; A274-Q276 VanDerWaalsContact C-N 3.27Å; A274-Q276 PolarHBondContact O-N 3.26Å; Q276-K278 HydrophobicContact CB-CD 4.19Å; Q276-K278 HydrophobicContact CB-CG 4.17Å; Q276-K278 PolarHBondContact O-N 3.06Å; Q276-I389 HydrophobicContact CG-CD1 4.37Å
277	D	91.8	Very high	90.3	Very high	86 Å²	86	38.9 Å²	38.9	46%	0.46	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	37.9	-175.9	-154.9	45	0	0	0	112.9	Q273 A274 T339 S340	Q273-D277 PolarHBondContact O-N 3.04Å; A274-D277 PolarHBondContact O-N 3.25Å; D277-T339 WeakPolarHBondContact OD1-CA 3.49Å; D277-T339 PolarHBondContact OD1-N 3.36Å; D277-T339 PolarHBondContact OD1-OG1 3.19Å; D277-T339 PolarHBondContact OD2-OG1 3Å; D277-S340 PolarHBondContact OD1-N 3.38Å
278	K	93.6	Very high	90.2	Very high	111 Å²	111	40.2 Å²	40.2	48%	0.483	21%	0.212	S	C	.	.			trans	-97.4	156.3	173	-69.5	177.1	178.6	167.1	0	110.1	Q273 Q276 I280 S340	Q273-K278 HydrophobicContact CB-CB 4.41Å; Q273-K278 HydrophobicContact CG-CB 4.5Å; Q273-K278 PolarHBondContact O-N 2.81Å; Q276-K278 HydrophobicContact CB-CD 4.19Å; Q276-K278 HydrophobicContact CB-CG 4.17Å; Q276-K278 PolarHBondContact O-N 3.06Å; K278-I280 PolarHBondContact O-N 2.86Å; K278-S340 PolarHBondContact N-OG 3.38Å; K278-S340 WeakPolarHBondContact O-CB 3.32Å; K278-S340 PolarHBondContact O-OG 3.04Å
279	P	94.8	Very high	90.1	Very high	66 Å²	66	41.5 Å²	41.5	43%	0.429	22%	0.22	S	C	.	.			trans	-55.1	134.5	173.9	-25.5	34.5	0	0	0	112.1	Q273 E341 V343	Q273-P279 VanDerWaalsContact CD-O 3.26Å; Q273-P279 WeakPolarHBondContact CG-O 3.41Å; P279-E341 CarbonylContact C-O 3.49Å; P279-E341 VanDerWaalsContact CA-O 3.3Å; P279-E341 WeakPolarHBondContact CA-O 3.32Å; P279-V343 HydrophobicContact CB-CG1 4.14Å; P279-V343 HydrophobicContact CB-CG2 3.85Å
280	I	94.5	Very high	89.8	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	115.5	172.8	-63.6	171.3	0	0	0	107.9	F270 Q273 A274 K278 A328 R332 E341 I342 V343	F270-I280 HydrophobicContact CB-CG2 4.16Å; F270-I280 HydrophobicContact CD1-CG2 3.45Å; F270-I280 VanDerWaalsContact CD1-CG2 3.45Å; F270-I280 HydrophobicContact CD2-CG2 4.06Å; F270-I280 HydrophobicContact CE1-CG2 3.74Å; F270-I280 HydrophobicContact CE2-CG2 4.3Å; F270-I280 HydrophobicContact CG-CG2 3.63Å; F270-I280 HydrophobicContact CZ-CG2 4.14Å; Q273-I280 HydrophobicContact CB-CG1 4.16Å; Q273-I280 VanDerWaalsContact OE1-CA 3.32Å; A274-I280 HydrophobicContact CB-CD1 4.18Å; K278-I280 PolarHBondContact O-N 2.86Å; I280-A328 HydrophobicContact CG2-CB 3.89Å; I280-R332 HydrophobicContact CD1-CB 3.83Å; I280-R332 HydrophobicContact CD1-CG 4.38Å; I280-E341 PolarHBondContact N-O 3.32Å; I280-I342 HydrophobicContact CB-CG1 4.3Å; I280-I342 HydrophobicContact CD1-CG1 4.47Å; I280-I342 WeakPolarHBondContact O-CA 3.47Å; I280-V343 PolarHBondContact O-N 3.33Å
281	T	92.5	Very high	89.6	Confident	27 Å²	27	40.1 Å²	40.1	17%	0.166	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	109	-170.3	55.5	0	0	0	0	112	F270 Q273 V343 L345	F270-T281 VanDerWaalsContact CE1-O 3.3Å; F270-T281 WeakPolarHBondContact CE1-O 3.46Å; Q273-T281 PolarHBondContact NE2-OG1 3.02Å; Q273-T281 VanDerWaalsContact OE1-N 3.16Å; T281-V343 HydrophobicContact CG2-CG2 3.85Å; T281-L345 HydrophobicContact CG2-CD1 3.93Å
282	I	90.4	Very high	89.5	Confident	4 Å²	4	40.5 Å²	40.5	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	125.7	171.8	-61.7	180	0	0	0	108.8	F270 I324 A328 I342 V343 N344 L345	F270-I282 HydrophobicContact CZ-CG1 3.95Å; I282-I324 HydrophobicContact CB-CG2 4.48Å; I282-I324 HydrophobicContact CD1-CG2 4.37Å; I282-I324 HydrophobicContact CG1-CG2 4.09Å; I282-I324 HydrophobicContact CG2-CG2 3.88Å; I282-A328 HydrophobicContact CD1-CB 3.9Å; I282-A328 HydrophobicContact CG1-CB 4.31Å; I282-I342 HydrophobicContact CD1-CG2 3.43Å; I282-I342 VanDerWaalsContact CD1-CG2 3.43Å; I282-I342 HydrophobicContact CG1-CG2 3.99Å; I282-V343 PolarHBondContact N-O 2.69Å; I282-N344 CarbonylContact O-C 3.48Å; I282-N344 VanDerWaalsContact O-CA 3.28Å; I282-N344 WeakPolarHBondContact O-CA 3.3Å; I282-L345 PolarHBondContact O-N 3.37Å
283	Y	86.3	Confident	89.7	Confident	86 Å²	86	39.6 Å²	39.6	34%	0.337	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	127.1	170.3	-62.4	-76.7	0	0	0	109.3	Q288 L345 E346 Q348	Y283-Q288 PolarHBondContact O-NE2 3.17Å; Y283-L345 HydrophobicContact CD1-CB 3.71Å; Y283-L345 HydrophobicContact CD1-CD1 4.22Å; Y283-L345 HydrophobicContact CE1-CB 3.96Å; Y283-L345 HydrophobicContact CE1-CD1 3.64Å; Y283-L345 HydrophobicContact CE1-CG 4.45Å; Y283-E346 VanDerWaalsContact CD1-O 3.28Å; Y283-E346 WeakPolarHBondContact CD1-O 3.43Å; Y283-Q348 HydrophobicContact CD1-CG 4.29Å; Y283-Q348 HydrophobicContact CG-CG 4.2Å
284	G	85.2	Confident	89.9	Confident	15 Å²	15	38.6 Å²	38.6	16%	0.155	20%	0.204	C	C	.	.	S	Bend	trans	83.2	-156.6	-171.2	0	0	0	0	0	113.4	L345 S347	G284-L345 PolarHBondContact N-O 3.5Å; G284-S347 VanDerWaalsContact CA-OG 3.32Å; G284-S347 WeakPolarHBondContact CA-OG 3.46Å
285	N	84.3	Confident	90.1	Very high	104 Å²	104	38.5 Å²	38.5	56%	0.556	20%	0.203	S	C	*	.	S	Bend	trans	-90.1	-1.7	-175.3	67.9	-5.1	0	0	0	114.2	T287	N285-T287 VanDerWaalsContact C-N 3.3Å; N285-T287 PolarHBondContact ND2-OG1 3.48Å; N285-T287 VanDerWaalsContact ND2-OG1 3.08Å; N285-T287 PolarHBondContact O-N 3.29Å; N285-T287 PolarHBondContact OD1-N 3.09Å; N285-T287 VanDerWaalsContact OD1-N 3.07Å; N285-T287 PolarHBondContact OD1-OG1 3.37Å
286	G	83.8	Confident	90.4	Very high	6 Å²	6	39.9 Å²	39.9	6%	0.062	21%	0.213	C	C	.	.	S	Bend	trans	78.6	3.2	179.3	0	0	0	0	0	115.7	Q288 T323 I324 G325	G286-Q288 VanDerWaalsContact N-OE1 3.16Å; G286-T323 WeakPolarHBondContact O-CB 3.29Å; G286-I324 PolarHBondContact O-N 2.95Å; G286-G325 PolarHBondContact O-N 2.91Å; G286-G325 VanDerWaalsContact O-N 3.08Å
287	T	85.6	Confident	90.7	Very high	94 Å²	94	36.4 Å²	36.4	58%	0.577	20%	0.197	S	C	*	.			trans	-84.2	-12.8	179.6	65.9	0	0	0	0	113.3	N285	N285-T287 VanDerWaalsContact C-N 3.3Å; N285-T287 PolarHBondContact ND2-OG1 3.48Å; N285-T287 VanDerWaalsContact ND2-OG1 3.08Å; N285-T287 PolarHBondContact O-N 3.29Å; N285-T287 PolarHBondContact OD1-N 3.09Å; N285-T287 VanDerWaalsContact OD1-N 3.07Å; N285-T287 PolarHBondContact OD1-OG1 3.37Å
288	Q	84.6	Confident	91	Very high	32 Å²	32	32.3 Å²	32.3	15%	0.15	18%	0.175	C	C	.	.			trans	-62.9	143.1	175.2	73.3	-81.7	32.4	0	0	110.5	Y283 G286 T323 I324 Q353	Y283-Q288 PolarHBondContact O-NE2 3.17Å; G286-Q288 VanDerWaalsContact N-OE1 3.16Å; Q288-T323 WeakPolarHBondContact O-CA 3.41Å; Q288-I324 HydrophobicContact CG-CB 4.41Å; Q288-I324 HydrophobicContact CG-CG1 3.62Å; Q288-I324 PolarHBondContact O-N 2.97Å; Q288-Q353 WeakPolarHBondContact CB-O 3.28Å
289	T	83.4	Confident	91.3	Very high	27 Å²	27	27.4 Å²	27.4	17%	0.166	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	148.3	-176.4	60.8	0	0	0	0	111.4	E321 H322 T323 Q353	T289-E321 WeakPolarHBondContact CB-OE1 3.08Å; T289-E321 PolarHBondContact OG1-OE1 3.42Å; T289-H322 WeakPolarHBondContact CA-O 3.36Å; T289-T323 HydrophobicContact CG2-CG2 4.3Å; T289-Q353 PolarHBondContact N-O 3.31Å
290	R	83.9	Confident	91.5	Very high	13 Å²	13	26.8 Å²	26.8	5%	0.049	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	146.2	169.8	-66.6	-65.7	-177.5	-92.6	2.2	109.6	F292 H322 I324 D351 P352 Q353	R290-F292 HydrophobicContact CB-CD2 4.25Å; R290-F292 HydrophobicContact CB-CE1 4.26Å; R290-F292 HydrophobicContact CB-CE2 3.48Å; R290-F292 VanDerWaalsContact CB-CE2 3.48Å; R290-F292 HydrophobicContact CB-CZ 3.46Å; R290-F292 VanDerWaalsContact CB-CZ 3.46Å; R290-F292 HydrophobicContact CG-CE2 4.4Å; R290-F292 HydrophobicContact CG-CZ 3.99Å; R290-H322 PolarHBondContact N-O 3.36Å; R290-H322 PolarHBondContact O-N 3.01Å; R290-H322 VanDerWaalsContact O-N 3.08Å; R290-I324 HydrophobicContact CB-CD1 4.22Å; R290-I324 HydrophobicContact CG-CD1 3.67Å; R290-D351 IonicContact NH2-OD1 3.24Å; R290-D351 PolarHBondContact NH2-OD1 3.42Å; R290-D351 IonicContact NH2-OD2 3.04Å; R290-D351 PolarHBondContact NH2-OD2 3.01Å; R290-P352 PolarHBondContact NH1-O 3.36Å; R290-P352 PolarHBondContact NH2-O 3.48Å; R290-Q353 PolarHBondContact NH1-O 3.45Å
291	S	89.5	Confident	91.7	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.014	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	133.2	164.8	38.2	0	0	0	0	109.8	N253 N318 E320 R355 P357	N253-S291 WeakPolarHBondContact CB-O 3.25Å; S291-N318 WeakPolarHBondContact CB-O 3.25Å; S291-E320 WeakPolarHBondContact CA-O 3.21Å; S291-R355 PolarHBondContact N-O 3.3Å; S291-R355 PolarHBondContact OG-O 3.19Å; S291-P357 VanDerWaalsContact OG-CD 3.28Å; S291-P357 WeakPolarHBondContact OG-CD 3.46Å
292	F	91.4	Very high	92	Very high	8 Å²	8	25.5 Å²	25.5	4%	0.035	14%	0.14	C	C	.	.			trans	-124.4	127.4	177.5	-65	-72.9	0	0	0	111.1	N253 F255 V266 V267 R290 N318 F327	N253-F292 HydrophobicContact CB-CD1 3.89Å; N253-F292 HydrophobicContact CB-CE1 4.08Å; N253-F292 WeakPolarHBondContact O-CA 3.12Å; F255-F292 HydrophobicContact CD1-CB 3.79Å; F255-F292 HydrophobicContact CE1-CB 3.9Å; V266-F292 HydrophobicContact CG1-CE1 3.74Å; V266-F292 HydrophobicContact CG1-CE2 4.47Å; V266-F292 HydrophobicContact CG1-CZ 3.37Å; V267-F292 HydrophobicContact CG2-CD1 3.61Å; V267-F292 HydrophobicContact CG2-CE1 3.5Å; V267-F292 VanDerWaalsContact CG2-CE1 3.5Å; V267-F292 HydrophobicContact CG2-CG 4.28Å; V267-F292 HydrophobicContact CG2-CZ 4.08Å; R290-F292 HydrophobicContact CB-CD2 4.25Å; R290-F292 HydrophobicContact CB-CE1 4.26Å; R290-F292 HydrophobicContact CB-CE2 3.48Å; R290-F292 VanDerWaalsContact CB-CE2 3.48Å; R290-F292 HydrophobicContact CB-CZ 3.46Å; R290-F292 VanDerWaalsContact CB-CZ 3.46Å; R290-F292 HydrophobicContact CG-CE2 4.4Å; R290-F292 HydrophobicContact CG-CZ 3.99Å; F292-N318 WeakPolarHBondContact O-CB 3.28Å; F292-F327 AromaticContact CD2-CD2 3.96Å; F292-F327 HydrophobicContact CD2-CD2 3.96Å; F292-F327 HydrophobicContact CD2-CE1 4.4Å; F292-F327 AromaticContact CD2-CE2 3.59Å; F292-F327 HydrophobicContact CD2-CE2 3.59Å; F292-F327 AromaticContact CD2-CZ 3.83Å; F292-F327 HydrophobicContact CD2-CZ 3.83Å; F292-F327 HydrophobicContact CE2-CD1 4.14Å; F292-F327 HydrophobicContact CE2-CD2 4.02Å; F292-F327 HydrophobicContact CE2-CE1 4.06Å; F292-F327 AromaticContact CE2-CE2 3.94Å; F292-F327 HydrophobicContact CE2-CE2 3.94Å; F292-F327 HydrophobicContact CE2-CG 4.11Å; F292-F327 AromaticContact CE2-CZ 3.96Å; F292-F327 HydrophobicContact CE2-CZ 3.96Å; F292-F327 HydrophobicContact CG-CE2 4.27Å; F292-F327 HydrophobicContact CG-CZ 4.25Å; F292-F327 HydrophobicContact CZ-CE1 4.38Å
293	Q	96	Very high	92.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	141	177	-175.7	-179.6	12	0	0	110.9	N253 T254 F255 D297 L298 I316 N318	N253-Q293 PolarHBondContact O-N 3.18Å; T254-Q293 CarbonylContact C-O 3.57Å; T254-Q293 VanDerWaalsContact CA-O 3.25Å; T254-Q293 WeakPolarHBondContact CA-O 3.15Å; F255-Q293 WeakPolarHBondContact CD1-O 3.42Å; F255-Q293 PolarHBondContact N-O 3.06Å; Q293-D297 HydrophobicContact CG-CB 4.01Å; Q293-D297 VanDerWaalsContact NE2-C 3.3Å; Q293-L298 VanDerWaalsContact NE2-N 3.15Å; Q293-I316 PolarHBondContact OE1-O 3.24Å; Q293-N318 HydrophobicContact CB-CB 4.11Å
294	Y	98	Very high	93	Very high	12 Å²	12	25.7 Å²	25.7	5%	0.047	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	141.7	172.7	-169.9	-115.9	0	0	0	111.8	F255 T296 D297 L298 V372 G377 K380	F255-Y294 HydrophobicContact CD2-CD2 4.31Å; F255-Y294 AromaticContact CE2-CD2 3.88Å; F255-Y294 HydrophobicContact CE2-CD2 3.88Å; F255-Y294 HydrophobicContact CZ-CD2 4.04Å; Y294-T296 VanDerWaalsContact C-N 3.26Å; Y294-T296 HydrophobicContact CD1-CG2 4.17Å; Y294-T296 WeakPolarHBondContact CD1-OG1 3.37Å; Y294-T296 HydrophobicContact CE1-CG2 3.71Å; Y294-T296 WeakPolarHBondContact CE1-OG1 3.03Å; Y294-T296 PolarHBondContact O-N 2.96Å; Y294-T296 VanDerWaalsContact O-N 3.12Å; Y294-D297 WeakPolarHBondContact O-CB 3.25Å; Y294-D297 PolarHBondContact O-N 3.4Å; Y294-L298 PolarHBondContact O-N 3.15Å; Y294-V372 HydrophobicContact CD1-CB 3.98Å; Y294-V372 HydrophobicContact CD1-CG1 3.7Å; Y294-V372 HydrophobicContact CD1-CG2 3.92Å; Y294-V372 HydrophobicContact CE1-CG1 4.39Å; Y294-V372 HydrophobicContact CG-CB 4.32Å; Y294-V372 HydrophobicContact CG-CG1 3.94Å; Y294-G377 VanDerWaalsContact CE2-CA 3.48Å; Y294-G377 WeakPolarHBondContact CE2-O 3.48Å; Y294-K380 HydrophobicContact CE1-CD 4.42Å; Y294-K380 VanDerWaalsContact OH-CD 3.28Å; Y294-K380 WeakPolarHBondContact OH-CD 3.4Å
295	V	98.4	Very high	93.6	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-56.6	-32.8	-170.6	66.8	0	0	0	0	115	F92 V93 H96 T254 F255 D297 L298 V299	F92-V295 HydrophobicContact CD2-CG2 4.45Å; F92-V295 HydrophobicContact CE1-CG2 4.49Å; F92-V295 HydrophobicContact CE2-CB 3.83Å; F92-V295 HydrophobicContact CE2-CG1 4.16Å; F92-V295 HydrophobicContact CE2-CG2 3.67Å; F92-V295 HydrophobicContact CZ-CB 3.66Å; F92-V295 HydrophobicContact CZ-CG1 4.39Å; F92-V295 HydrophobicContact CZ-CG2 3.71Å; V93-V295 HydrophobicContact CG2-CG2 4.45Å; H96-V295 HydrophobicContact CB-CG2 4.12Å; T254-V295 HydrophobicContact CG2-CB 4.06Å; T254-V295 HydrophobicContact CG2-CG2 4.35Å; F255-V295 PolarHBondContact O-N 3.23Å; V295-D297 VanDerWaalsContact C-N 3.33Å; V295-D297 PolarHBondContact O-N 3.5Å; V295-L298 WeakPolarHBondContact O-CB 3.31Å; V295-L298 PolarHBondContact O-N 2.91Å; V295-V299 HydrophobicContact CG2-CG2 4.49Å; V295-V299 WeakPolarHBondContact O-CG2 3.32Å; V295-V299 PolarHBondContact O-N 3.19Å
296	T	98.3	Very high	94.3	Very high	64 Å²	64	20.2 Å²	20.2	39%	0.393	11%	0.11	S	C	.	.	H	α-helix	trans	-70.1	-32.9	179.7	59.9	0	0	0	0	112.1	Y294 L298 V299 D300	Y294-T296 VanDerWaalsContact C-N 3.26Å; Y294-T296 HydrophobicContact CD1-CG2 4.17Å; Y294-T296 WeakPolarHBondContact CD1-OG1 3.37Å; Y294-T296 HydrophobicContact CE1-CG2 3.71Å; Y294-T296 WeakPolarHBondContact CE1-OG1 3.03Å; Y294-T296 PolarHBondContact O-N 2.96Å; Y294-T296 VanDerWaalsContact O-N 3.12Å; T296-L298 VanDerWaalsContact C-N 3.33Å; T296-V299 PolarHBondContact O-N 3.4Å; T296-D300 PolarHBondContact O-N 3.15Å
297	D	98.6	Very high	95	Very high	8 Å²	8	23.7 Å²	23.7	4%	0.043	13%	0.127	C	C	.	.	H	α-helix	trans	-66.2	-39.6	173.7	-71.8	-37.7	0	0	0	110.6	Q293 Y294 V295 D300 G301 W368 P370 Q371 V372	Q293-D297 HydrophobicContact CG-CB 4.01Å; Q293-D297 VanDerWaalsContact NE2-C 3.3Å; Y294-D297 WeakPolarHBondContact O-CB 3.25Å; Y294-D297 PolarHBondContact O-N 3.4Å; V295-D297 VanDerWaalsContact C-N 3.33Å; V295-D297 PolarHBondContact O-N 3.5Å; D297-D300 PolarHBondContact O-N 3.19Å; D297-G301 PolarHBondContact O-N 2.88Å; D297-W368 HydrophobicContact CB-CZ2 4.14Å; D297-W368 WeakPolarHBondContact O-CZ2 3.48Å; D297-W368 PolarHBondContact O-NE1 2.86Å; D297-P370 HydrophobicContact CB-CB 4.26Å; D297-Q371 VanDerWaalsContact CG-N 3.31Å; D297-Q371 PolarHBondContact OD1-N 3.1Å; D297-Q371 PolarHBondContact OD2-N 3.19Å; D297-V372 PolarHBondContact OD1-N 2.99Å; D297-V372 WeakPolarHBondContact OD2-CB 3.43Å; D297-V372 PolarHBondContact OD2-N 2.82Å
298	L	98.8	Very high	95.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.2	-48.4	174.6	172	61.2	0	0	0	110.5	V93 I251 T254 Q293 Y294 V295 T296 D300 G301 L302 I316	V93-L298 HydrophobicContact CB-CD2 4.33Å; V93-L298 HydrophobicContact CG1-CD2 3.6Å; V93-L298 HydrophobicContact CG1-CG 4.22Å; V93-L298 HydrophobicContact CG2-CD2 3.71Å; I251-L298 HydrophobicContact CB-CD1 4.44Å; I251-L298 HydrophobicContact CD1-CD1 4.09Å; I251-L298 HydrophobicContact CD1-CD2 4.38Å; I251-L298 HydrophobicContact CG1-CD1 3.91Å; I251-L298 HydrophobicContact CG2-CD1 3.83Å; I251-L298 HydrophobicContact CG2-CD2 3.73Å; I251-L298 HydrophobicContact CG2-CG 4.45Å; T254-L298 HydrophobicContact CG2-CB 4.13Å; T254-L298 HydrophobicContact CG2-CD2 3.78Å; Q293-L298 VanDerWaalsContact NE2-N 3.15Å; Y294-L298 PolarHBondContact O-N 3.15Å; V295-L298 WeakPolarHBondContact O-CB 3.31Å; V295-L298 PolarHBondContact O-N 2.91Å; T296-L298 VanDerWaalsContact C-N 3.33Å; L298-D300 VanDerWaalsContact C-N 3.33Å; L298-D300 PolarHBondContact O-N 3.15Å; L298-G301 PolarHBondContact O-N 3.21Å; L298-G301 VanDerWaalsContact O-N 3.12Å; L298-L302 HydrophobicContact CD1-CD1 4.17Å; L298-L302 HydrophobicContact CD1-CD2 4.2Å; L298-L302 HydrophobicContact CD1-CG 3.92Å; L298-L302 HydrophobicContact CG-CD1 4.08Å; L298-L302 HydrophobicContact CG-CG 4.27Å; L298-L302 WeakPolarHBondContact O-CG 3.23Å; L298-L302 PolarHBondContact O-N 3.47Å; L298-I316 HydrophobicContact CD1-CB 4.18Å; L298-I316 HydrophobicContact CD1-CG2 3.67Å
299	V	98.8	Very high	96.2	Very high	8 Å²	8	26.1 Å²	26.1	5%	0.048	14%	0.139	C	C	.	.	H	α-helix	trans	-59	-43.6	179.3	169.3	0	0	0	0	111.4	H96 L97 K100 V295 T296 G301 L302 I303	H96-V299 HydrophobicContact CB-CG2 3.83Å; L97-V299 HydrophobicContact CB-CG1 4.48Å; L97-V299 HydrophobicContact CB-CG2 4.32Å; L97-V299 HydrophobicContact CD1-CG1 4.01Å; K100-V299 HydrophobicContact CB-CG1 3.83Å; K100-V299 HydrophobicContact CG-CG1 4.16Å; V295-V299 HydrophobicContact CG2-CG2 4.49Å; V295-V299 WeakPolarHBondContact O-CG2 3.32Å; V295-V299 PolarHBondContact O-N 3.19Å; T296-V299 PolarHBondContact O-N 3.4Å; V299-G301 VanDerWaalsContact C-N 3.34Å; V299-G301 PolarHBondContact O-N 3.1Å; V299-L302 PolarHBondContact O-N 3.47Å; V299-I303 HydrophobicContact CG1-CD1 3.92Å; V299-I303 WeakPolarHBondContact O-CG1 3.45Å; V299-I303 PolarHBondContact O-N 3.19Å
300	D	98.8	Very high	96.9	Very high	53 Å²	53	26.9 Å²	26.9	28%	0.283	14%	0.139	S	C	.	.	H	α-helix	trans	-59.2	-45.4	173.9	-174.7	62.8	0	0	0	111.5	T296 D297 L298 L302 I303 K304	T296-D300 PolarHBondContact O-N 3.15Å; D297-D300 PolarHBondContact O-N 3.19Å; L298-D300 VanDerWaalsContact C-N 3.33Å; L298-D300 PolarHBondContact O-N 3.15Å; D300-L302 PolarHBondContact O-N 2.97Å; D300-I303 PolarHBondContact O-N 3.03Å; D300-K304 WeakPolarHBondContact O-CB 3.46Å; D300-K304 WeakPolarHBondContact O-CG 3.28Å; D300-K304 PolarHBondContact O-N 2.87Å; D300-K304 IonicContact OD1-NZ 3.92Å; D300-K304 WeakPolarHBondContact OD2-CE 3.44Å; D300-K304 IonicContact OD2-NZ 2.76Å; D300-K304 PolarHBondContact OD2-NZ 3.29Å
301	G	98.8	Very high	97.5	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.9	-42.1	178.1	0	0	0	0	0	113.1	D297 L298 V299 K304 L305 W368	D297-G301 PolarHBondContact O-N 2.88Å; L298-G301 PolarHBondContact O-N 3.21Å; L298-G301 VanDerWaalsContact O-N 3.12Å; V299-G301 VanDerWaalsContact C-N 3.34Å; V299-G301 PolarHBondContact O-N 3.1Å; G301-K304 PolarHBondContact O-N 2.97Å; G301-L305 VanDerWaalsContact O-CB 3.3Å; G301-L305 WeakPolarHBondContact O-CB 3.46Å; G301-L305 PolarHBondContact O-N 2.88Å; G301-W368 VanDerWaalsContact CA-NE1 3.34Å; G301-W368 VanDerWaalsContact N-NE1 3.2Å
302	L	98.9	Very high	97.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.5	-43.8	176.8	-66.8	176.4	0	0	0	111.6	V93 Y150 L191 A249 I251 L298 V299 D300 L305 M306 I316	V93-L302 HydrophobicContact CG1-CD1 4.05Å; Y150-L302 HydrophobicContact CE1-CB 4.35Å; L191-L302 HydrophobicContact CD1-CD2 4.4Å; L191-L302 WeakPolarHBondContact CD1-O 3.28Å; L191-L302 HydrophobicContact CD2-CD2 3.82Å; A249-L302 HydrophobicContact CB-CD2 3.57Å; I251-L302 HydrophobicContact CD1-CD2 4.26Å; L298-L302 HydrophobicContact CD1-CD1 4.17Å; L298-L302 HydrophobicContact CD1-CD2 4.2Å; L298-L302 HydrophobicContact CD1-CG 3.92Å; L298-L302 HydrophobicContact CG-CD1 4.08Å; L298-L302 HydrophobicContact CG-CG 4.27Å; L298-L302 WeakPolarHBondContact O-CG 3.23Å; L298-L302 PolarHBondContact O-N 3.47Å; V299-L302 PolarHBondContact O-N 3.47Å; D300-L302 PolarHBondContact O-N 2.97Å; L302-L305 PolarHBondContact O-N 3.29Å; L302-M306 WeakPolarHBondContact O-CB 3.21Å; L302-M306 PolarHBondContact O-N 3.14Å; L302-I316 HydrophobicContact CD2-CD1 4.13Å
303	I	98.8	Very high	98.3	Very high	22 Å²	22	33.1 Å²	33.1	11%	0.113	18%	0.177	C	C	.	.	H	α-helix	trans	-67.1	-43.3	179.3	-68.5	170.6	0	0	0	110.7	L97 K100 L101 V299 D300 M306 N307	L97-I303 HydrophobicContact CD1-CD1 3.92Å; L97-I303 HydrophobicContact CD1-CG1 3.68Å; K100-I303 HydrophobicContact CB-CD1 4.05Å; K100-I303 HydrophobicContact CG-CD1 3.43Å; K100-I303 VanDerWaalsContact CG-CD1 3.43Å; L101-I303 HydrophobicContact CD2-CD1 4.12Å; L101-I303 HydrophobicContact CD2-CG1 4.28Å; L101-I303 HydrophobicContact CG-CD1 4.45Å; V299-I303 HydrophobicContact CG1-CD1 3.92Å; V299-I303 WeakPolarHBondContact O-CG1 3.45Å; V299-I303 PolarHBondContact O-N 3.19Å; D300-I303 PolarHBondContact O-N 3.03Å; I303-M306 PolarHBondContact O-N 3.49Å; I303-N307 PolarHBondContact O-N 3.32Å; I303-N307 VanDerWaalsContact O-N 3.12Å; I303-N307 PolarHBondContact O-ND2 2.89Å
304	K	98.8	Very high	98.4	Very high	72 Å²	72	33.1 Å²	33.1	31%	0.313	18%	0.177	S	C	.	.	H	α-helix	trans	-62.9	-43	175.7	-75.8	179.5	-179.4	166.9	0	111.8	D300 G301 N307 S308 I366 S367 W368	D300-K304 WeakPolarHBondContact O-CB 3.46Å; D300-K304 WeakPolarHBondContact O-CG 3.28Å; D300-K304 PolarHBondContact O-N 2.87Å; D300-K304 IonicContact OD1-NZ 3.92Å; D300-K304 WeakPolarHBondContact OD2-CE 3.44Å; D300-K304 IonicContact OD2-NZ 2.76Å; D300-K304 PolarHBondContact OD2-NZ 3.29Å; G301-K304 PolarHBondContact O-N 2.97Å; K304-N307 PolarHBondContact O-N 3.24Å; K304-S308 WeakPolarHBondContact O-CB 3.48Å; K304-S308 PolarHBondContact O-N 3.05Å; K304-I366 HydrophobicContact CB-CB 4.37Å; K304-I366 HydrophobicContact CB-CD1 4.32Å; K304-S367 PolarHBondContact NZ-O 3.27Å; K304-W368 HydrophobicContact CD-CB 3.99Å; K304-W368 HydrophobicContact CD-CG 4.37Å
305	L	98.8	Very high	98.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-65	-43.3	176.8	-175.7	60.9	0	0	0	112.1	L191 R247 A249 G301 L302 N307 S308 V314 I316 I366	L191-L305 HydrophobicContact CD1-CB 4.18Å; L191-L305 HydrophobicContact CD1-CD2 4.12Å; L191-L305 HydrophobicContact CD1-CG 4.19Å; R247-L305 HydrophobicContact CB-CD2 4.34Å; R247-L305 HydrophobicContact CB-CG 4.06Å; R247-L305 WeakPolarHBondContact CD-O 3.12Å; R247-L305 PolarHBondContact NE-O 3.42Å; A249-L305 HydrophobicContact CB-CD2 3.89Å; G301-L305 VanDerWaalsContact O-CB 3.3Å; G301-L305 WeakPolarHBondContact O-CB 3.46Å; G301-L305 PolarHBondContact O-N 2.88Å; L302-L305 PolarHBondContact O-N 3.29Å; L305-N307 PolarHBondContact O-N 3.48Å; L305-S308 PolarHBondContact O-N 2.88Å; L305-S308 PolarHBondContact O-OG 3.07Å; L305-S308 VanDerWaalsContact O-OG 3.1Å; L305-V314 HydrophobicContact CD1-CB 4.29Å; L305-V314 HydrophobicContact CD1-CG2 3.79Å; L305-V314 HydrophobicContact CD2-CB 4.32Å; L305-I316 HydrophobicContact CD2-CD1 4.42Å; L305-I366 HydrophobicContact CB-CD1 4Å; L305-I366 HydrophobicContact CD1-CG2 3.86Å
306	M	98.8	Very high	98.5	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.015	18%	0.175	C	C	.	.	H	α-helix	trans	-55.9	-42.1	175.7	178.2	61	81.9	0	0	112	Q148 I149 Y150 T189 L191 L302 I303	Q148-M306 HydrophobicContact CB-CE 4.16Å; Q148-M306 HydrophobicContact CB-SD 4.17Å; Q148-M306 VanDerWaalsContact CD-CG 3.45Å; Q148-M306 HydrophobicContact CG-CG 4.19Å; Q148-M306 HydrophobicContact CG-SD 4.02Å; I149-M306 VanDerWaalsContact O-CE 3.31Å; I149-M306 WeakPolarHBondContact O-CE 3.39Å; Y150-M306 HydrophobicContact CD1-CE 3.87Å; Y150-M306 HydrophobicContact CD2-CE 3.7Å; Y150-M306 HydrophobicContact CE1-CB 3.69Å; Y150-M306 HydrophobicContact CE1-CE 3.83Å; Y150-M306 HydrophobicContact CE1-CG 4.09Å; Y150-M306 HydrophobicContact CE2-CB 4.46Å; Y150-M306 HydrophobicContact CE2-CE 3.64Å; Y150-M306 HydrophobicContact CE2-CG 3.99Å; Y150-M306 HydrophobicContact CG-CE 3.82Å; Y150-M306 WeakPolarHBondContact OH-CB 3.36Å; Y150-M306 VanDerWaalsContact OH-CG 3.27Å; Y150-M306 WeakPolarHBondContact OH-CG 3.43Å; T189-M306 HydrophobicContact CG2-SD 3.62Å; L191-M306 HydrophobicContact CB-CE 3.38Å; L191-M306 HydrophobicContact CB-SD 4.34Å; L191-M306 HydrophobicContact CD1-CB 4.14Å; L302-M306 WeakPolarHBondContact O-CB 3.21Å; L302-M306 PolarHBondContact O-N 3.14Å; I303-M306 PolarHBondContact O-N 3.49Å
307	N	98.4	Very high	98.4	Very high	80 Å²	80	29.5 Å²	29.5	43%	0.428	16%	0.156	S	C	.	.	H	α-helix	trans	-91.7	-0.9	-175.3	-64.8	-67	0	0	0	114.1	K82 Q148 I303 K304 L305	K82-N307 PolarHBondContact NZ-OD1 3.44Å; Q148-N307 PolarHBondContact NE2-OD1 2.86Å; Q148-N307 VanDerWaalsContact NE2-OD1 3.12Å; I303-N307 PolarHBondContact O-N 3.32Å; I303-N307 VanDerWaalsContact O-N 3.12Å; I303-N307 PolarHBondContact O-ND2 2.89Å; K304-N307 PolarHBondContact O-N 3.24Å; L305-N307 PolarHBondContact O-N 3.48Å
308	S	98.3	Very high	98.3	Very high	18 Å²	18	29.8 Å²	29.8	13%	0.126	16%	0.158	C	C	.	.	S	Bend	trans	-80.1	175.8	171.7	84.4	0	0	0	0	111.2	R247 K304 L305 Y310	R247-S308 VanDerWaalsContact CZ-O 3.26Å; R247-S308 PolarHBondContact NE-O 3.48Å; R247-S308 VanDerWaalsContact NE-O 3.14Å; R247-S308 PolarHBondContact NH2-O 3.16Å; K304-S308 WeakPolarHBondContact O-CB 3.48Å; K304-S308 PolarHBondContact O-N 3.05Å; L305-S308 PolarHBondContact O-N 2.88Å; L305-S308 PolarHBondContact O-OG 3.07Å; L305-S308 VanDerWaalsContact O-OG 3.1Å; S308-Y310 PolarHBondContact OG-N 3.47Å; S308-Y310 VanDerWaalsContact OG-N 3.14Å
309	N	96.3	Very high	98.1	Very high	158 Å²	158	31.5 Å²	31.5	85%	0.845	17%	0.169	S	C	*	.	S	Bend	trans	-99.8	14	171.4	-70.2	-37.1	0	0	0	113
310	Y	98.2	Very high	97.8	Very high	43 Å²	43	35 Å²	35	17%	0.169	19%	0.185	C	C	.	.			trans	-95.8	120.4	-172.3	-166	-99.7	0	0	0	112.1	R247 S308 L312 V314 R361 Q365	R247-Y310 WeakPolarHBondContact CD-O 3.29Å; S308-Y310 PolarHBondContact OG-N 3.47Å; S308-Y310 VanDerWaalsContact OG-N 3.14Å; Y310-L312 HydrophobicContact CD1-CB 4.41Å; Y310-L312 WeakPolarHBondContact CD1-O 3.39Å; Y310-L312 HydrophobicContact CE1-CB 3.58Å; Y310-L312 VanDerWaalsContact CE1-O 3.3Å; Y310-L312 WeakPolarHBondContact CE1-O 3.36Å; Y310-V314 HydrophobicContact CD1-CG2 3.52Å; Y310-V314 HydrophobicContact CE1-CG2 3.59Å; Y310-R361 HydrophobicContact CE1-CG 4.12Å; Y310-R361 WeakPolarHBondContact OH-CD 3.3Å; Y310-Q365 HydrophobicContact CD1-CB 4.29Å; Y310-Q365 HydrophobicContact CD2-CB 3.89Å; Y310-Q365 HydrophobicContact CD2-CG 3.8Å; Y310-Q365 VanDerWaalsContact CD2-OE1 3.27Å; Y310-Q365 HydrophobicContact CE1-CG 4.34Å; Y310-Q365 HydrophobicContact CE2-CB 4.22Å; Y310-Q365 HydrophobicContact CE2-CG 3.61Å; Y310-Q365 HydrophobicContact CG-CB 3.92Å; Y310-Q365 HydrophobicContact CG-CG 4.24Å
311	S	97.6	Very high	97.3	Very high	38 Å²	38	34.9 Å²	34.9	27%	0.266	18%	0.182	S	C	.	.			trans	-103.1	-12.7	-172.7	-57.1	0	0	0	0	115
312	L	98.3	Very high	96.8	Very high	99 Å²	99	36.2 Å²	36.2	52%	0.518	19%	0.189	S	C	.	.	S	Bend	trans	-79.2	160.8	177.5	-61.5	178.1	0	0	0	110.9	Y310	Y310-L312 HydrophobicContact CD1-CB 4.41Å; Y310-L312 WeakPolarHBondContact CD1-O 3.39Å; Y310-L312 HydrophobicContact CE1-CB 3.58Å; Y310-L312 VanDerWaalsContact CE1-O 3.3Å; Y310-L312 WeakPolarHBondContact CE1-O 3.36Å
313	P	98.7	Very high	96.4	Very high	18 Å²	18	38 Å²	38	12%	0.117	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	142	176.6	-25.2	34.6	0	0	0	113	I248 R250 R361	I248-P313 HydrophobicContact CB-CB 4.33Å; I248-P313 HydrophobicContact CB-CG 4.3Å; I248-P313 HydrophobicContact CD1-CG 4.23Å; I248-P313 HydrophobicContact CG2-CB 4.04Å; I248-P313 HydrophobicContact CG2-CG 4.12Å; I248-P313 WeakPolarHBondContact O-CA 3.4Å; R250-P313 HydrophobicContact CG-CB 4.41Å; P313-R361 WeakPolarHBondContact O-CD 3.43Å; P313-R361 PolarHBondContact O-NH1 3.42Å
314	V	98.9	Very high	95.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	127.3	175.6	-179.6	0	0	0	0	109.2	I248 R250 L305 Y310 R361 A362 I366	I248-V314 PolarHBondContact O-N 2.83Å; R250-V314 PolarHBondContact N-O 2.88Å; L305-V314 HydrophobicContact CD1-CB 4.29Å; L305-V314 HydrophobicContact CD1-CG2 3.79Å; L305-V314 HydrophobicContact CD2-CB 4.32Å; Y310-V314 HydrophobicContact CD1-CG2 3.52Å; Y310-V314 HydrophobicContact CE1-CG2 3.59Å; V314-R361 HydrophobicContact CG2-CG 4.25Å; V314-A362 HydrophobicContact CG1-CB 3.61Å; V314-I366 HydrophobicContact CG1-CD1 4.38Å
315	N	98.8	Very high	95.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	128.6	170.5	-74	-25.1	0	0	0	110	Y199 Q207 E209 R250 F252 P357 D358	Y199-N315 PolarHBondContact OH-OD1 3.15Å; Q207-N315 PolarHBondContact O-ND2 3.33Å; E209-N315 HydrophobicContact CG-CB 4.27Å; E209-N315 WeakPolarHBondContact OE1-CB 3.42Å; E209-N315 PolarHBondContact OE1-N 2.88Å; R250-N315 WeakPolarHBondContact O-CA 3.42Å; F252-N315 HydrophobicContact CE2-CB 3.99Å; F252-N315 WeakPolarHBondContact CE2-OD1 3.3Å; N315-P357 HydrophobicContact CB-CB 4.44Å; N315-D358 WeakPolarHBondContact CB-O 3.48Å; N315-D358 PolarHBondContact ND2-O 3.03Å
316	I	98.6	Very high	95.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	112.7	171.4	-53.7	-177.9	0	0	0	107.2	A249 R250 F252 Q293 L298 L302 L305 W368	A249-I316 HydrophobicContact CB-CD1 3.79Å; A249-I316 HydrophobicContact CB-CG1 4.43Å; R250-I316 PolarHBondContact O-N 3.18Å; F252-I316 PolarHBondContact N-O 3.22Å; Q293-I316 PolarHBondContact OE1-O 3.24Å; L298-I316 HydrophobicContact CD1-CB 4.18Å; L298-I316 HydrophobicContact CD1-CG2 3.67Å; L302-I316 HydrophobicContact CD2-CD1 4.13Å; L305-I316 HydrophobicContact CD2-CD1 4.42Å; I316-W368 HydrophobicContact CG2-CH2 3.64Å; I316-W368 HydrophobicContact CG2-CZ2 3.79Å; I316-W368 HydrophobicContact CG2-CZ3 4.03Å
317	G	97.4	Very high	94.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.214	C	C	.	.	S	Bend	trans	-172	171.5	-170.6	0	0	0	0	0	111.6	W368	G317-W368 VanDerWaalsContact O-CH2 3.31Å; G317-W368 WeakPolarHBondContact O-CH2 3.42Å
318	N	96.6	Very high	94.5	Very high	13 Å²	13	35.9 Å²	35.9	7%	0.07	19%	0.193	C	C	.	.			trans	-102.7	122.8	170.4	-175	-9.5	0	0	0	109.1	S291 F292 Q293 E320 P357 P370	S291-N318 WeakPolarHBondContact CB-O 3.25Å; F292-N318 WeakPolarHBondContact O-CB 3.28Å; Q293-N318 HydrophobicContact CB-CB 4.11Å; N318-E320 PolarHBondContact O-N 3.33Å; N318-E320 VanDerWaalsContact OD1-CB 3.29Å; N318-E320 WeakPolarHBondContact OD1-CB 3.46Å; N318-E320 PolarHBondContact OD1-N 2.86Å; N318-P357 WeakPolarHBondContact O-CG 3.41Å; N318-P370 HydrophobicContact CB-CB 4.37Å; N318-P370 HydrophobicContact CB-CG 4.23Å
319	P	94.6	Very high	94.2	Very high	36 Å²	36	37.5 Å²	37.5	23%	0.234	20%	0.203	C	C	.	.			trans	-75.3	-2.7	179.9	32.7	-38	0	0	0	113.8	E321 R356 I359	P319-E321 PolarHBondContact O-N 3.46Å; P319-R356 PolarHBondContact O-NE 2.85Å; P319-I359 HydrophobicContact CG-CD1 3.9Å; P319-I359 HydrophobicContact CG-CG1 4.14Å
320	E	92	Very high	94	Very high	83 Å²	83	32.3 Å²	32.3	39%	0.388	17%	0.174	S	C	.	.			trans	-69.4	118.8	172.3	-165.4	-177.5	-180	0	0	110.2	S291 N318 H322	S291-E320 WeakPolarHBondContact CA-O 3.21Å; N318-E320 PolarHBondContact O-N 3.33Å; N318-E320 VanDerWaalsContact OD1-CB 3.29Å; N318-E320 WeakPolarHBondContact OD1-CB 3.46Å; N318-E320 PolarHBondContact OD1-N 2.86Å; E320-H322 WeakPolarHBondContact CG-NE2 3.36Å; E320-H322 IonicContact OE1-CE1 2.67Å; E320-H322 PolarHBondContact OE1-CE1 3Å; E320-H322 VanDerWaalsContact OE1-CE1 3.24Å; E320-H322 IonicContact OE1-NE2 3.21Å; E320-H322 PolarHBondContact OE1-NE2 2.99Å
321	E	88.4	Confident	93.8	Very high	49 Å²	49	30.2 Å²	30.2	23%	0.229	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	141.4	178.5	-78.9	-169.1	111.8	0	0	111.7	H205 T289 P319 R356	H205-E321 IonicContact CE1-OE1 3.09Å; H205-E321 PolarHBondContact CE1-OE1 3.15Å; H205-E321 IonicContact CE1-OE2 3.4Å; H205-E321 PolarHBondContact CE1-OE2 3.42Å; H205-E321 IonicContact NE2-OE1 2.93Å; H205-E321 IonicContact NE2-OE2 3.2Å; H205-E321 PolarHBondContact NE2-OE2 3.32Å; T289-E321 WeakPolarHBondContact CB-OE1 3.08Å; T289-E321 PolarHBondContact OG1-OE1 3.42Å; P319-E321 PolarHBondContact O-N 3.46Å; E321-R356 HydrophobicContact CG-CB 3.95Å; E321-R356 HydrophobicContact CG-CG 3.88Å; E321-R356 WeakPolarHBondContact OE2-CD 3.37Å
322	H	88.1	Confident	93.6	Very high	28 Å²	28	32 Å²	32	13%	0.13	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	150.7	170.8	-56.4	-77.9	0	0	0	109.7	T289 R290 E320 M374	T289-H322 WeakPolarHBondContact CA-O 3.36Å; R290-H322 PolarHBondContact N-O 3.36Å; R290-H322 PolarHBondContact O-N 3.01Å; R290-H322 VanDerWaalsContact O-N 3.08Å; E320-H322 WeakPolarHBondContact CG-NE2 3.36Å; E320-H322 IonicContact OE1-CE1 2.67Å; E320-H322 PolarHBondContact OE1-CE1 3Å; E320-H322 VanDerWaalsContact OE1-CE1 3.24Å; E320-H322 IonicContact OE1-NE2 3.21Å; E320-H322 PolarHBondContact OE1-NE2 2.99Å; H322-M374 PolarHBondContact CD2-SD 3.25Å; H322-M374 WeakPolarHBondContact NE2-CE 3.38Å; H322-M374 PolarHBondContact NE2-SD 3.13Å; H322-M374 VanDerWaalsContact NE2-SD 3.43Å
323	T	90.1	Very high	93.3	Very high	39 Å²	39	32.3 Å²	32.3	24%	0.239	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	151.7	168.4	72.8	0	0	0	0	109.9	G286 Q288 T289 G325 Q326 F327	G286-T323 WeakPolarHBondContact O-CB 3.29Å; Q288-T323 WeakPolarHBondContact O-CA 3.41Å; T289-T323 HydrophobicContact CG2-CG2 4.3Å; T323-G325 PolarHBondContact O-N 3.49Å; T323-Q326 VanDerWaalsContact N-OE1 3.1Å; T323-Q326 PolarHBondContact O-N 2.92Å; T323-Q326 WeakPolarHBondContact OG1-CB 3.18Å; T323-Q326 VanDerWaalsContact OG1-CG 3.23Å; T323-Q326 WeakPolarHBondContact OG1-CG 3.32Å; T323-Q326 PolarHBondContact OG1-N 2.82Å; T323-Q326 VanDerWaalsContact OG1-N 3.09Å; T323-Q326 PolarHBondContact OG1-OE1 2.84Å; T323-F327 WeakPolarHBondContact O-CB 3.44Å; T323-F327 PolarHBondContact O-N 2.8Å
324	I	89.6	Confident	93.1	Very high	7 Å²	7	32.5 Å²	32.5	4%	0.036	17%	0.169	C	C	.	.	H	α-helix	trans	-60.2	-35.5	176	-65.7	-56.3	0	0	0	111.4	V266 F270 I282 G286 Q288 R290 F327 A328	V266-I324 HydrophobicContact CG1-CD1 4.36Å; V266-I324 HydrophobicContact CG2-CD1 4.2Å; V266-I324 HydrophobicContact CG2-CG2 4.34Å; F270-I324 HydrophobicContact CE2-CG2 3.88Å; F270-I324 HydrophobicContact CZ-CG2 3.7Å; I282-I324 HydrophobicContact CB-CG2 4.48Å; I282-I324 HydrophobicContact CD1-CG2 4.37Å; I282-I324 HydrophobicContact CG1-CG2 4.09Å; I282-I324 HydrophobicContact CG2-CG2 3.88Å; G286-I324 PolarHBondContact O-N 2.95Å; Q288-I324 HydrophobicContact CG-CB 4.41Å; Q288-I324 HydrophobicContact CG-CG1 3.62Å; Q288-I324 PolarHBondContact O-N 2.97Å; R290-I324 HydrophobicContact CB-CD1 4.22Å; R290-I324 HydrophobicContact CG-CD1 3.67Å; I324-F327 PolarHBondContact O-N 3.08Å; I324-A328 WeakPolarHBondContact O-CB 3.28Å; I324-A328 PolarHBondContact O-N 3.4Å
325	G	90.3	Very high	92.7	Very high	21 Å²	21	32.9 Å²	32.9	22%	0.216	17%	0.172	C	C	.	.	H	α-helix	trans	-63.8	-43.5	174.9	0	0	0	0	0	113.8	G286 T323 F327 A328 T329	G286-G325 PolarHBondContact O-N 2.91Å; G286-G325 VanDerWaalsContact O-N 3.08Å; T323-G325 PolarHBondContact O-N 3.49Å; G325-F327 VanDerWaalsContact C-N 3.29Å; G325-F327 PolarHBondContact O-N 3.32Å; G325-A328 PolarHBondContact O-N 3.4Å; G325-T329 PolarHBondContact O-N 2.79Å; G325-T329 VanDerWaalsContact O-N 3.16Å; G325-T329 PolarHBondContact O-OG1 3.24Å
326	Q	90.7	Very high	92.2	Very high	103 Å²	103	37.6 Å²	37.6	48%	0.481	20%	0.202	S	C	.	.	H	α-helix	trans	-60.9	-43.9	173.3	-76	169.3	-21.9	0	0	110.6	T323 T329 I330	T323-Q326 VanDerWaalsContact N-OE1 3.1Å; T323-Q326 PolarHBondContact O-N 2.92Å; T323-Q326 WeakPolarHBondContact OG1-CB 3.18Å; T323-Q326 VanDerWaalsContact OG1-CG 3.23Å; T323-Q326 WeakPolarHBondContact OG1-CG 3.32Å; T323-Q326 PolarHBondContact OG1-N 2.82Å; T323-Q326 VanDerWaalsContact OG1-N 3.09Å; T323-Q326 PolarHBondContact OG1-OE1 2.84Å; Q326-T329 WeakPolarHBondContact O-CB 3.47Å; Q326-T329 PolarHBondContact O-N 2.65Å; Q326-I330 VanDerWaalsContact O-CG1 3.29Å; Q326-I330 WeakPolarHBondContact O-CG1 3.23Å; Q326-I330 PolarHBondContact O-N 3.33Å
327	F	90.6	Very high	91.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-65.3	-40.7	-178.3	-163.6	-103.9	0	0	0	112.8	V267 F270 F292 T323 I324 G325 T329 I330 I331 M374 L378	V267-F327 HydrophobicContact CB-CE1 4.12Å; V267-F327 HydrophobicContact CB-CZ 4.28Å; V267-F327 HydrophobicContact CG1-CE1 4.15Å; V267-F327 HydrophobicContact CG1-CZ 3.99Å; V267-F327 HydrophobicContact CG2-CE1 3.66Å; V267-F327 HydrophobicContact CG2-CZ 3.66Å; F270-F327 HydrophobicContact CD2-CD1 4.02Å; F270-F327 HydrophobicContact CE2-CD1 4.32Å; F292-F327 AromaticContact CD2-CD2 3.96Å; F292-F327 HydrophobicContact CD2-CD2 3.96Å; F292-F327 HydrophobicContact CD2-CE1 4.4Å; F292-F327 AromaticContact CD2-CE2 3.59Å; F292-F327 HydrophobicContact CD2-CE2 3.59Å; F292-F327 AromaticContact CD2-CZ 3.83Å; F292-F327 HydrophobicContact CD2-CZ 3.83Å; F292-F327 HydrophobicContact CE2-CD1 4.14Å; F292-F327 HydrophobicContact CE2-CD2 4.02Å; F292-F327 HydrophobicContact CE2-CE1 4.06Å; F292-F327 AromaticContact CE2-CE2 3.94Å; F292-F327 HydrophobicContact CE2-CE2 3.94Å; F292-F327 HydrophobicContact CE2-CG 4.11Å; F292-F327 AromaticContact CE2-CZ 3.96Å; F292-F327 HydrophobicContact CE2-CZ 3.96Å; F292-F327 HydrophobicContact CG-CE2 4.27Å; F292-F327 HydrophobicContact CG-CZ 4.25Å; F292-F327 HydrophobicContact CZ-CE1 4.38Å; T323-F327 WeakPolarHBondContact O-CB 3.44Å; T323-F327 PolarHBondContact O-N 2.8Å; I324-F327 PolarHBondContact O-N 3.08Å; G325-F327 VanDerWaalsContact C-N 3.29Å; G325-F327 PolarHBondContact O-N 3.32Å; F327-T329 VanDerWaalsContact C-N 3.34Å; F327-T329 PolarHBondContact O-N 2.76Å; F327-I330 PolarHBondContact O-N 2.76Å; F327-I331 HydrophobicContact CD1-CD1 3.62Å; F327-I331 HydrophobicContact CE1-CD1 3.22Å; F327-I331 HydrophobicContact CE1-CG1 4.28Å; F327-I331 HydrophobicContact CG-CD1 4.49Å; F327-I331 HydrophobicContact CZ-CD1 3.83Å; F327-I331 WeakPolarHBondContact O-CG1 3.33Å; F327-I331 PolarHBondContact O-N 3.26Å; F327-M374 HydrophobicContact CD2-SD 3.75Å; F327-M374 HydrophobicContact CE2-CG 4.31Å; F327-M374 HydrophobicContact CE2-SD 3.52Å; F327-M374 VanDerWaalsContact CE2-SD 3.52Å; F327-L378 HydrophobicContact CE2-CD1 4Å; F327-L378 HydrophobicContact CE2-CD2 4.28Å; F327-L378 HydrophobicContact CZ-CD1 4.38Å; F327-L378 HydrophobicContact CZ-CD2 3.87Å
328	A	92.5	Very high	91.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-58.8	-45	172.9	0	0	0	0	0	111.9	F270 I280 I282 I324 G325 I331 R332 I342	F270-A328 HydrophobicContact CD2-CB 3.97Å; F270-A328 HydrophobicContact CE2-CB 3.66Å; F270-A328 HydrophobicContact CZ-CB 4.32Å; I280-A328 HydrophobicContact CG2-CB 3.89Å; I282-A328 HydrophobicContact CD1-CB 3.9Å; I282-A328 HydrophobicContact CG1-CB 4.31Å; I324-A328 WeakPolarHBondContact O-CB 3.28Å; I324-A328 PolarHBondContact O-N 3.4Å; G325-A328 PolarHBondContact O-N 3.4Å; A328-I331 PolarHBondContact O-N 2.97Å; A328-R332 PolarHBondContact O-N 3.31Å; A328-I342 HydrophobicContact CB-CD1 3.99Å; A328-I342 HydrophobicContact CB-CG1 4.42Å; A328-I342 HydrophobicContact CB-CG2 4.29Å
329	T	92.6	Very high	91	Very high	52 Å²	52	46.9 Å²	46.9	32%	0.319	28%	0.276	S	S	.	.	H	α-helix	trans	-62.5	-48.6	178	-55.8	0	0	0	0	111.1	G325 Q326 F327 I331 R332 D333	G325-T329 PolarHBondContact O-N 2.79Å; G325-T329 VanDerWaalsContact O-N 3.16Å; G325-T329 PolarHBondContact O-OG1 3.24Å; Q326-T329 WeakPolarHBondContact O-CB 3.47Å; Q326-T329 PolarHBondContact O-N 2.65Å; F327-T329 VanDerWaalsContact C-N 3.34Å; F327-T329 PolarHBondContact O-N 2.76Å; T329-I331 VanDerWaalsContact C-N 3.34Å; T329-I331 PolarHBondContact O-N 3.39Å; T329-R332 PolarHBondContact O-N 3.17Å; T329-D333 PolarHBondContact O-N 3.37Å
330	I	92.1	Very high	91	Very high	49 Å²	49	45.4 Å²	45.4	25%	0.251	27%	0.266	S	S	.	.	H	α-helix	trans	-58.1	-46.1	178.4	-68.8	165.1	0	0	0	110.9	Q326 F327 D333 L334 M374 L378	Q326-I330 VanDerWaalsContact O-CG1 3.29Å; Q326-I330 WeakPolarHBondContact O-CG1 3.23Å; Q326-I330 PolarHBondContact O-N 3.33Å; F327-I330 PolarHBondContact O-N 2.76Å; I330-D333 PolarHBondContact O-N 3.17Å; I330-L334 HydrophobicContact CG2-CD1 3.82Å; I330-L334 HydrophobicContact CG2-CG 4.3Å; I330-L334 WeakPolarHBondContact O-CB 3.15Å; I330-L334 WeakPolarHBondContact O-CG 3.22Å; I330-L334 PolarHBondContact O-N 3.08Å; I330-M374 HydrophobicContact CD1-CE 3.75Å; I330-L378 HydrophobicContact CG2-CD1 3.88Å
331	I	93	Very high	91.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-64	-46.4	-179.2	-75.8	172	0	0	0	111.5	V267 F270 I271 A274 F327 A328 T329 D333 L334 V335 L378	V267-I331 HydrophobicContact CG1-CD1 4.49Å; F270-I331 HydrophobicContact CB-CB 4.41Å; F270-I331 HydrophobicContact CB-CD1 3.69Å; F270-I331 HydrophobicContact CB-CG2 4.02Å; F270-I331 HydrophobicContact CD2-CD1 4.13Å; F270-I331 HydrophobicContact CG-CD1 4.43Å; I271-I331 HydrophobicContact CB-CG2 4.37Å; I271-I331 HydrophobicContact CG1-CD1 4.01Å; I271-I331 HydrophobicContact CG1-CG1 4.24Å; I271-I331 HydrophobicContact CG1-CG2 3.72Å; A274-I331 HydrophobicContact CB-CG2 4.24Å; F327-I331 HydrophobicContact CD1-CD1 3.62Å; F327-I331 HydrophobicContact CE1-CD1 3.22Å; F327-I331 HydrophobicContact CE1-CG1 4.28Å; F327-I331 HydrophobicContact CG-CD1 4.49Å; F327-I331 HydrophobicContact CZ-CD1 3.83Å; F327-I331 WeakPolarHBondContact O-CG1 3.33Å; F327-I331 PolarHBondContact O-N 3.26Å; A328-I331 PolarHBondContact O-N 2.97Å; T329-I331 VanDerWaalsContact C-N 3.34Å; T329-I331 PolarHBondContact O-N 3.39Å; I331-D333 VanDerWaalsContact C-N 3.29Å; I331-D333 PolarHBondContact O-N 3.5Å; I331-L334 PolarHBondContact O-N 3Å; I331-V335 WeakPolarHBondContact O-CG2 3.43Å; I331-V335 PolarHBondContact O-N 3.04Å; I331-L378 HydrophobicContact CD1-CD2 4.29Å; I331-L378 HydrophobicContact CG1-CD1 4.38Å; I331-L378 HydrophobicContact CG1-CD2 4.18Å
332	R	93.8	Very high	91.4	Very high	75 Å²	75	47.8 Å²	47.8	28%	0.283	28%	0.279	S	S	.	.	H	α-helix	trans	-55	-48.3	176.9	-175.7	-165	63.3	-157.7	-4.8	110.7	I280 A328 T329 L334 V335 S340	I280-R332 HydrophobicContact CD1-CB 3.83Å; I280-R332 HydrophobicContact CD1-CG 4.38Å; A328-R332 PolarHBondContact O-N 3.31Å; T329-R332 PolarHBondContact O-N 3.17Å; R332-L334 VanDerWaalsContact C-N 3.28Å; R332-L334 PolarHBondContact O-N 3.39Å; R332-V335 PolarHBondContact O-N 2.89Å; R332-V335 VanDerWaalsContact O-N 3.15Å; R332-S340 WeakPolarHBondContact CD-O 3.46Å
333	D	93	Very high	91.6	Very high	106 Å²	106	48.3 Å²	48.3	57%	0.567	28%	0.284	S	S	*	.	H	α-helix	trans	-70.5	-24.2	-176.5	-60.9	-7.5	0	0	0	112.7	T329 I330 I331	T329-D333 PolarHBondContact O-N 3.37Å; I330-D333 PolarHBondContact O-N 3.17Å; I331-D333 VanDerWaalsContact C-N 3.29Å; I331-D333 PolarHBondContact O-N 3.5Å
334	L	92.9	Very high	91.7	Very high	22 Å²	22	51.3 Å²	51.3	12%	0.115	30%	0.298	C	S	.	.	H	α-helix	trans	-79.2	-18.1	173.8	-74.4	177.6	0	0	0	113.6	I330 I331 R332 P336 K375 L378 L379	I330-L334 HydrophobicContact CG2-CD1 3.82Å; I330-L334 HydrophobicContact CG2-CG 4.3Å; I330-L334 WeakPolarHBondContact O-CB 3.15Å; I330-L334 WeakPolarHBondContact O-CG 3.22Å; I330-L334 PolarHBondContact O-N 3.08Å; I331-L334 PolarHBondContact O-N 3Å; R332-L334 VanDerWaalsContact C-N 3.28Å; R332-L334 PolarHBondContact O-N 3.39Å; L334-P336 WeakPolarHBondContact O-CD 3.29Å; L334-K375 HydrophobicContact CD1-CG 4.29Å; L334-K375 HydrophobicContact CD2-CD 4.46Å; L334-K375 HydrophobicContact CD2-CG 3.96Å; L334-L378 HydrophobicContact CD1-CB 3.55Å; L334-L378 HydrophobicContact CD1-CD1 3.93Å; L334-L378 HydrophobicContact CD1-CG 4.4Å; L334-L379 HydrophobicContact CD2-CD2 3.74Å; L334-L379 HydrophobicContact CD2-CG 3.95Å
335	V	92.3	Very high	91.6	Very high	8 Å²	8	54.8 Å²	54.8	5%	0.048	32%	0.316	C	S	.	.	S	Bend	trans	-90.5	110.5	177.6	177.6	0	0	0	0	109.1	A274 L275 I331 R332 G337 S338 V382	A274-V335 HydrophobicContact CB-CB 4.1Å; A274-V335 HydrophobicContact CB-CG1 4.41Å; A274-V335 HydrophobicContact CB-CG2 3.78Å; L275-V335 HydrophobicContact CD2-CG1 3.71Å; L275-V335 HydrophobicContact CD2-CG2 4.41Å; L275-V335 HydrophobicContact CG-CG1 4.11Å; L275-V335 HydrophobicContact CG-CG2 4.27Å; I331-V335 WeakPolarHBondContact O-CG2 3.43Å; I331-V335 PolarHBondContact O-N 3.04Å; R332-V335 PolarHBondContact O-N 2.89Å; R332-V335 VanDerWaalsContact O-N 3.15Å; V335-G337 PolarHBondContact O-N 2.9Å; V335-S338 WeakPolarHBondContact O-CB 3.5Å; V335-S338 PolarHBondContact O-N 2.88Å; V335-S338 VanDerWaalsContact O-N 3.15Å; V335-V382 HydrophobicContact CG2-CG1 3.93Å; V335-V382 HydrophobicContact CG2-CG2 4.16Å
336	P	87.5	Confident	91.3	Very high	99 Å²	99	62.3 Å²	62.3	64%	0.643	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	124.1	-178.5	-21.9	34.6	0	0	0	111.4	L334 S338	L334-P336 WeakPolarHBondContact O-CD 3.29Å; P336-S338 VanDerWaalsContact C-N 3.31Å; P336-S338 PolarHBondContact O-N 3.38Å
337	G	85.4	Confident	90.5	Very high	78 Å²	78	61.8 Å²	61.8	80%	0.804	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	6.9	177.3	0	0	0	0	0	115.4	V335 T339	V335-G337 PolarHBondContact O-N 2.9Å; G337-T339 PolarHBondContact O-N 3.22Å
338	S	90.2	Very high	89.7	Confident	21 Å²	21	66.9 Å²	66.9	15%	0.147	38%	0.377	C	S	.	.			trans	-69.4	129.4	175.2	-173.5	0	0	0	0	111	A274 V335 P336 S340	A274-S338 PolarHBondContact O-OG 2.85Å; A274-S338 VanDerWaalsContact O-OG 3.07Å; V335-S338 WeakPolarHBondContact O-CB 3.5Å; V335-S338 PolarHBondContact O-N 2.88Å; V335-S338 VanDerWaalsContact O-N 3.15Å; P336-S338 VanDerWaalsContact C-N 3.31Å; P336-S338 PolarHBondContact O-N 3.38Å; S338-S340 PolarHBondContact OG-OG 3.21Å
339	T	91.6	Very high	88.4	Confident	108 Å²	108	74.4 Å²	74.4	66%	0.663	41%	0.413	S	S	*	.			trans	-113.4	11.4	172.6	60.3	0	0	0	0	112.6	D277 G337 E341	D277-T339 WeakPolarHBondContact OD1-CA 3.49Å; D277-T339 PolarHBondContact OD1-N 3.36Å; D277-T339 PolarHBondContact OD1-OG1 3.19Å; D277-T339 PolarHBondContact OD2-OG1 3Å; G337-T339 PolarHBondContact O-N 3.22Å; T339-E341 PolarHBondContact O-N 3.31Å
340	S	93.9	Very high	87.1	Confident	5 Å²	5	75.9 Å²	75.9	4%	0.035	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-48.4	121.3	-179	-70.3	0	0	0	0	112.9	Q273 A274 D277 K278 R332 S338	Q273-S340 PolarHBondContact O-OG 3.34Å; A274-S340 WeakPolarHBondContact CA-OG 3.35Å; D277-S340 PolarHBondContact OD1-N 3.38Å; K278-S340 PolarHBondContact N-OG 3.38Å; K278-S340 WeakPolarHBondContact O-CB 3.32Å; K278-S340 PolarHBondContact O-OG 3.04Å; R332-S340 WeakPolarHBondContact CD-O 3.46Å; S338-S340 PolarHBondContact OG-OG 3.21Å
341	E	94.6	Very high	86	Confident	136 Å²	136	76.7 Å²	76.7	64%	0.636	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-65.8	145.9	168.4	-171.6	178.8	-179.1	0	0	110.4	P279 I280 T339 V343	P279-E341 CarbonylContact C-O 3.49Å; P279-E341 VanDerWaalsContact CA-O 3.3Å; P279-E341 WeakPolarHBondContact CA-O 3.32Å; I280-E341 PolarHBondContact N-O 3.32Å; T339-E341 PolarHBondContact O-N 3.31Å; E341-V343 HydrophobicContact CB-CG1 4.49Å; E341-V343 HydrophobicContact CG-CG1 3.98Å
342	I	93.8	Very high	84.9	Confident	47 Å²	47	76.9 Å²	76.9	24%	0.241	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	118.2	172.8	-60.2	173.3	0	0	0	107.6	I280 I282 A328	I280-I342 HydrophobicContact CB-CG1 4.3Å; I280-I342 HydrophobicContact CD1-CG1 4.47Å; I280-I342 WeakPolarHBondContact O-CA 3.47Å; I282-I342 HydrophobicContact CD1-CG2 3.43Å; I282-I342 VanDerWaalsContact CD1-CG2 3.43Å; I282-I342 HydrophobicContact CG1-CG2 3.99Å; A328-I342 HydrophobicContact CB-CD1 3.99Å; A328-I342 HydrophobicContact CB-CG1 4.42Å; A328-I342 HydrophobicContact CB-CG2 4.29Å
343	V	93.8	Very high	83.9	Confident	39 Å²	39	79.9 Å²	79.9	24%	0.236	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	145.1	-175.6	-60.5	0	0	0	0	111.3	P279 I280 T281 I282 E341	P279-V343 HydrophobicContact CB-CG1 4.14Å; P279-V343 HydrophobicContact CB-CG2 3.85Å; I280-V343 PolarHBondContact O-N 3.33Å; T281-V343 HydrophobicContact CG2-CG2 3.85Å; I282-V343 PolarHBondContact N-O 2.69Å; E341-V343 HydrophobicContact CB-CG1 4.49Å; E341-V343 HydrophobicContact CG-CG1 3.98Å
344	N	90.8	Very high	83.3	Confident	101 Å²	101	79.5 Å²	79.5	54%	0.54	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	134.8	178	-66.4	-17.7	0	0	0	110.9	I282	I282-N344 CarbonylContact O-C 3.48Å; I282-N344 VanDerWaalsContact O-CA 3.28Å; I282-N344 WeakPolarHBondContact O-CA 3.3Å
345	L	88	Confident	82.9	Confident	80 Å²	80	78.9 Å²	78.9	42%	0.419	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	170	175.4	-61.1	-178.1	0	0	0	110.4	T281 I282 Y283 G284	T281-L345 HydrophobicContact CG2-CD1 3.93Å; I282-L345 PolarHBondContact O-N 3.37Å; Y283-L345 HydrophobicContact CD1-CB 3.71Å; Y283-L345 HydrophobicContact CD1-CD1 4.22Å; Y283-L345 HydrophobicContact CE1-CB 3.96Å; Y283-L345 HydrophobicContact CE1-CD1 3.64Å; Y283-L345 HydrophobicContact CE1-CG 4.45Å; G284-L345 PolarHBondContact N-O 3.5Å
346	E	83.6	Confident	82.9	Confident	180 Å²	180	83.1 Å²	83.1	84%	0.841	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-60.5	142.2	175.9	-66.5	-176	173.3	0	0	112.2	Y283	Y283-E346 VanDerWaalsContact CD1-O 3.28Å; Y283-E346 WeakPolarHBondContact CD1-O 3.43Å
347	S	75.4	Confident	83.3	Confident	92 Å²	92	78.5 Å²	78.5	64%	0.643	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-61.3	145.8	179.7	-59.2	0	0	0	0	112	G284	G284-S347 VanDerWaalsContact CA-OG 3.32Å; G284-S347 WeakPolarHBondContact CA-OG 3.46Å
348	Q	72.6	Confident	83.9	Confident	106 Å²	106	75.6 Å²	75.6	50%	0.495	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-78.1	146.4	171.7	-64.8	-168.3	-8.3	0	0	111	Y283 D351	Y283-Q348 HydrophobicContact CD1-CG 4.29Å; Y283-Q348 HydrophobicContact CG-CG 4.2Å; Q348-D351 HydrophobicContact CB-CB 4.41Å
349	Q	66.6	Low	84.3	Confident	158 Å²	158	75.7 Å²	75.7	74%	0.738	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	135.5	175.7	-172.9	176.5	10.5	0	0	110.8	D351	Q349-D351 PolarHBondContact O-N 3.05Å
350	D	64.8	Low	84.6	Confident	83 Å²	83	78.2 Å²	78.2	44%	0.444	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	25.7	176.9	-53.1	-23.4	0	0	0	115	P352	D350-P352 WeakPolarHBondContact O-CD 3.3Å
351	D	69.4	Low	84.8	Confident	66 Å²	66	80.2 Å²	80.2	35%	0.353	39%	0.387	S	S	.	.			trans	-78.5	118.5	169.9	-172	30.6	0	0	0	109.8	R290 Q348 Q349 Q353	R290-D351 IonicContact NH2-OD1 3.24Å; R290-D351 PolarHBondContact NH2-OD1 3.42Å; R290-D351 IonicContact NH2-OD2 3.04Å; R290-D351 PolarHBondContact NH2-OD2 3.01Å; Q348-D351 HydrophobicContact CB-CB 4.41Å; Q349-D351 PolarHBondContact O-N 3.05Å; D351-Q353 PolarHBondContact O-N 3.43Å
352	P	68.8	Low	85	Confident	5 Å²	5	73.7 Å²	73.7	3%	0.032	36%	0.357	C	S	.	.			trans	-58.9	139.8	-173.8	-30.7	40.9	0	0	0	112.6	R290 D350	R290-P352 PolarHBondContact NH1-O 3.36Å; R290-P352 PolarHBondContact NH2-O 3.48Å; D350-P352 WeakPolarHBondContact O-CD 3.3Å
353	Q	73.9	Confident	85.2	Confident	138 Å²	138	73.8 Å²	73.8	65%	0.645	36%	0.364	S	S	*	.	S	Bend	trans	-77.1	-33.9	-174.3	-64.3	-163.5	6.7	0	0	113.2	Q288 T289 R290 D351	Q288-Q353 WeakPolarHBondContact CB-O 3.28Å; T289-Q353 PolarHBondContact N-O 3.31Å; R290-Q353 PolarHBondContact NH1-O 3.45Å; D351-Q353 PolarHBondContact O-N 3.43Å
354	Q	80.2	Confident	85.4	Confident	97 Å²	97	78.3 Å²	78.3	45%	0.453	38%	0.383	S	S	.	.			trans	-141.7	140.5	-176.2	-62	179.8	20.1	0	0	110.7	H205	H205-Q354 PolarHBondContact ND1-OE1 3.01Å
355	R	83.8	Confident	85.8	Confident	10 Å²	10	77.5 Å²	77.5	4%	0.038	38%	0.376	C	S	.	.			trans	-151.9	114.4	177.2	-170.6	178.4	-71.8	167.7	-5.4	111.4	S196 E197 F252 N253 S291	S196-R355 WeakPolarHBondContact OG-CD 3.42Å; S196-R355 PolarHBondContact OG-NH1 3.25Å; E197-R355 IonicContact OE1-CZ 3.94Å; E197-R355 IonicContact OE1-NH1 3.39Å; E197-R355 PolarHBondContact OE1-NH1 3.33Å; E197-R355 IonicContact OE1-NH2 2.86Å; E197-R355 PolarHBondContact OE1-NH2 3.47Å; E197-R355 IonicContact OE2-NH2 2.81Å; E197-R355 PolarHBondContact OE2-NH2 3.18Å; F252-R355 HydrophobicContact CD1-CG 3.83Å; F252-R355 HydrophobicContact CE1-CG 3.67Å; N253-R355 PolarHBondContact OD1-NH1 3.29Å; S291-R355 PolarHBondContact N-O 3.3Å; S291-R355 PolarHBondContact OG-O 3.19Å
356	R	92.9	Very high	86.2	Confident	97 Å²	97	74.3 Å²	74.3	37%	0.366	36%	0.359	S	S	.	.			trans	-140.8	121	-179.8	-172	-178.3	-175	-174.8	-4.9	110.7	H205 P206 Q207 P319 E321	H205-R356 VanDerWaalsContact CE1-CB 3.4Å; H205-R356 WeakPolarHBondContact CE1-CB 2.99Å; H205-R356 WeakPolarHBondContact NE2-CB 3.46Å; H205-R356 WeakPolarHBondContact NE2-CD 3.35Å; P206-R356 HydrophobicContact CB-CB 4.21Å; P206-R356 HydrophobicContact CB-CG 4.18Å; P206-R356 WeakPolarHBondContact CB-O 3.48Å; Q207-R356 PolarHBondContact N-O 3.09Å; Q207-R356 PolarHBondContact OE1-O 3.36Å; P319-R356 PolarHBondContact O-NE 2.85Å; E321-R356 HydrophobicContact CG-CB 3.95Å; E321-R356 HydrophobicContact CG-CG 3.88Å; E321-R356 WeakPolarHBondContact OE2-CD 3.37Å
357	P	95.9	Very high	86.9	Confident	1 Å²	1	70.4 Å²	70.4	1%	0.006	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-70.8	134.9	177.2	29.5	-34.2	0	0	0	110.9	F252 S291 N315 N318 I359	F252-P357 HydrophobicContact CD1-CB 3.77Å; F252-P357 HydrophobicContact CD1-CG 3.96Å; F252-P357 HydrophobicContact CD2-CB 3.71Å; F252-P357 HydrophobicContact CD2-CG 4.44Å; F252-P357 HydrophobicContact CE1-CB 3.65Å; F252-P357 HydrophobicContact CE1-CG 4.23Å; F252-P357 HydrophobicContact CE2-CB 3.62Å; F252-P357 HydrophobicContact CG-CB 3.8Å; F252-P357 HydrophobicContact CG-CG 4.08Å; F252-P357 HydrophobicContact CZ-CB 3.58Å; S291-P357 VanDerWaalsContact OG-CD 3.28Å; S291-P357 WeakPolarHBondContact OG-CD 3.46Å; N315-P357 HydrophobicContact CB-CB 4.44Å; N318-P357 WeakPolarHBondContact O-CG 3.41Å; P357-I359 HydrophobicContact CB-CG2 3.8Å; P357-I359 HydrophobicContact CG-CG2 4.08Å
358	D	97.7	Very high	88	Confident	18 Å²	18	66.1 Å²	66.1	10%	0.096	32%	0.321	C	S	.	.			trans	-82	117.3	153.2	-173.4	-21	0	0	0	108	P206 Q207 P208 N315 R360	P206-D358 HydrophobicContact CB-CB 4.32Å; P206-D358 HydrophobicContact CG-CB 4.18Å; Q207-D358 PolarHBondContact O-N 2.89Å; P208-D358 HydrophobicContact CB-CB 4.42Å; N315-D358 WeakPolarHBondContact CB-O 3.48Å; N315-D358 PolarHBondContact ND2-O 3.03Å; D358-R360 WeakPolarHBondContact OD1-CB 3.41Å; D358-R360 VanDerWaalsContact OD1-CG 3.25Å; D358-R360 WeakPolarHBondContact OD1-CG 3.24Å; D358-R360 PolarHBondContact OD1-N 3.39Å; D358-R360 IonicContact OD1-NE 2.61Å; D358-R360 PolarHBondContact OD1-NE 3.4Å; D358-R360 VanDerWaalsContact OD1-NE 3.09Å; D358-R360 IonicContact OD2-CZ 3.98Å; D358-R360 IonicContact OD2-NE 3.38Å; D358-R360 PolarHBondContact OD2-NE 2.93Å; D358-R360 IonicContact OD2-NH2 3.39Å; D358-R360 PolarHBondContact OD2-NH2 3.01Å
359	I	98.1	Very high	89.2	Confident	23 Å²	23	62.8 Å²	62.8	12%	0.118	31%	0.312	C	S	.	.			trans	-107.9	12.6	-176.6	62.5	160.5	0	0	0	113.5	P319 P357 R361 A362 A363 W368	P319-I359 HydrophobicContact CG-CD1 3.9Å; P319-I359 HydrophobicContact CG-CG1 4.14Å; P357-I359 HydrophobicContact CB-CG2 3.8Å; P357-I359 HydrophobicContact CG-CG2 4.08Å; I359-R361 VanDerWaalsContact C-N 3.26Å; I359-R361 PolarHBondContact O-N 3.28Å; I359-A362 HydrophobicContact CB-CB 4.47Å; I359-A362 WeakPolarHBondContact O-CB 3.42Å; I359-A362 PolarHBondContact O-N 3.49Å; I359-A363 PolarHBondContact O-N 2.64Å; I359-A363 VanDerWaalsContact O-N 3.09Å; I359-W368 HydrophobicContact CG2-CZ3 4.42Å
360	R	98.3	Very high	90.7	Very high	160 Å²	160	56.6 Å²	56.6	60%	0.604	29%	0.285	S	S	*	.	H	α-helix	trans	-55.3	-42.8	179.6	-73.4	179.4	-67	157.2	-3.9	112	D358 A362 A363 E364	D358-R360 WeakPolarHBondContact OD1-CB 3.41Å; D358-R360 VanDerWaalsContact OD1-CG 3.25Å; D358-R360 WeakPolarHBondContact OD1-CG 3.24Å; D358-R360 PolarHBondContact OD1-N 3.39Å; D358-R360 IonicContact OD1-NE 2.61Å; D358-R360 PolarHBondContact OD1-NE 3.4Å; D358-R360 VanDerWaalsContact OD1-NE 3.09Å; D358-R360 IonicContact OD2-CZ 3.98Å; D358-R360 IonicContact OD2-NE 3.38Å; D358-R360 PolarHBondContact OD2-NE 2.93Å; D358-R360 IonicContact OD2-NH2 3.39Å; D358-R360 PolarHBondContact OD2-NH2 3.01Å; R360-A362 VanDerWaalsContact C-N 3.3Å; R360-A362 PolarHBondContact O-N 2.77Å; R360-A363 WeakPolarHBondContact O-CB 3.39Å; R360-A363 PolarHBondContact O-N 2.91Å; R360-E364 WeakPolarHBondContact O-CB 3.28Å; R360-E364 VanDerWaalsContact O-CG 3.32Å; R360-E364 WeakPolarHBondContact O-CG 3.34Å; R360-E364 PolarHBondContact O-N 2.72Å
361	R	98.3	Very high	92.2	Very high	47 Å²	47	59.5 Å²	59.5	18%	0.177	30%	0.296	C	S	.	.	H	α-helix	trans	-61.5	-37.9	177.1	-171.9	-179.3	-66	-159	-4.6	112.5	E209 Y310 P313 V314 I359 E364 Q365	E209-R361 WeakPolarHBondContact OE1-CB 3.23Å; E209-R361 IonicContact OE1-NE 3.81Å; E209-R361 IonicContact OE2-CZ 3.79Å; E209-R361 IonicContact OE2-NE 2.83Å; E209-R361 PolarHBondContact OE2-NE 3.35Å; E209-R361 IonicContact OE2-NH2 3.22Å; Y310-R361 HydrophobicContact CE1-CG 4.12Å; Y310-R361 WeakPolarHBondContact OH-CD 3.3Å; P313-R361 WeakPolarHBondContact O-CD 3.43Å; P313-R361 PolarHBondContact O-NH1 3.42Å; V314-R361 HydrophobicContact CG2-CG 4.25Å; I359-R361 VanDerWaalsContact C-N 3.26Å; I359-R361 PolarHBondContact O-N 3.28Å; R361-E364 PolarHBondContact O-N 3.3Å; R361-Q365 HydrophobicContact CG-CG 3.79Å; R361-Q365 WeakPolarHBondContact O-CB 3.37Å; R361-Q365 VanDerWaalsContact O-CG 3.28Å; R361-Q365 WeakPolarHBondContact O-CG 3.36Å; R361-Q365 PolarHBondContact O-N 2.86Å
362	A	98.4	Very high	93.5	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-67.9	-39.4	177.2	0	0	0	0	0	111.5	V314 I359 R360 I366 S367 W368	V314-A362 HydrophobicContact CG1-CB 3.61Å; I359-A362 HydrophobicContact CB-CB 4.47Å; I359-A362 WeakPolarHBondContact O-CB 3.42Å; I359-A362 PolarHBondContact O-N 3.49Å; R360-A362 VanDerWaalsContact C-N 3.3Å; R360-A362 PolarHBondContact O-N 2.77Å; A362-I366 HydrophobicContact CB-CD1 4.43Å; A362-I366 HydrophobicContact CB-CG1 4.35Å; A362-I366 CarbonylContact O-C 3.58Å; A362-I366 WeakPolarHBondContact O-CG1 3.29Å; A362-I366 PolarHBondContact O-N 3.49Å; A362-S367 PolarHBondContact O-N 3.07Å; A362-W368 CarbonylContact C-O 3.5Å; A362-W368 HydrophobicContact CB-CE3 3.64Å; A362-W368 HydrophobicContact CB-CZ3 4.28Å; A362-W368 PolarHBondContact O-N 2.99Å; A362-W368 VanDerWaalsContact O-N 3.15Å
363	A	97.8	Very high	94.6	Very high	49 Å²	49	63.9 Å²	63.9	41%	0.405	32%	0.316	S	S	.	.	H	α-helix	trans	-64.3	-45.8	174.2	0	0	0	0	0	111.9	I359 R360 S367 W368	I359-A363 PolarHBondContact O-N 2.64Å; I359-A363 VanDerWaalsContact O-N 3.09Å; R360-A363 WeakPolarHBondContact O-CB 3.39Å; R360-A363 PolarHBondContact O-N 2.91Å; A363-S367 VanDerWaalsContact O-CA 3.25Å; A363-S367 WeakPolarHBondContact O-CA 3.48Å; A363-S367 PolarHBondContact O-N 3.11Å; A363-W368 WeakPolarHBondContact CA-O 3.43Å; A363-W368 PolarHBondContact N-O 2.99Å
364	E	98	Very high	95.4	Very high	133 Å²	133	58 Å²	58	62%	0.621	29%	0.289	S	S	*	.	H	α-helix	trans	-74.9	-43.8	-175.4	-70.2	168.2	-169.8	0	0	113.5	R360 R361	R360-E364 WeakPolarHBondContact O-CB 3.28Å; R360-E364 VanDerWaalsContact O-CG 3.32Å; R360-E364 WeakPolarHBondContact O-CG 3.34Å; R360-E364 PolarHBondContact O-N 2.72Å; R361-E364 PolarHBondContact O-N 3.3Å
365	Q	98.2	Very high	95.9	Very high	85 Å²	85	59.3 Å²	59.3	40%	0.397	29%	0.293	S	S	.	.	H	α-helix	trans	-94.1	-25	-168.5	-56	-59.1	-46.2	0	0	113.4	Y310 R361	Y310-Q365 HydrophobicContact CD1-CB 4.29Å; Y310-Q365 HydrophobicContact CD2-CB 3.89Å; Y310-Q365 HydrophobicContact CD2-CG 3.8Å; Y310-Q365 VanDerWaalsContact CD2-OE1 3.27Å; Y310-Q365 HydrophobicContact CE1-CG 4.34Å; Y310-Q365 HydrophobicContact CE2-CB 4.22Å; Y310-Q365 HydrophobicContact CE2-CG 3.61Å; Y310-Q365 HydrophobicContact CG-CB 3.92Å; Y310-Q365 HydrophobicContact CG-CG 4.24Å; R361-Q365 HydrophobicContact CG-CG 3.79Å; R361-Q365 WeakPolarHBondContact O-CB 3.37Å; R361-Q365 VanDerWaalsContact O-CG 3.28Å; R361-Q365 WeakPolarHBondContact O-CG 3.36Å; R361-Q365 PolarHBondContact O-N 2.86Å
366	I	97.8	Very high	96.4	Very high	12 Å²	12	62.6 Å²	62.6	6%	0.062	31%	0.311	C	S	.	.	H	α-helix	trans	-133	7.8	-177.2	69.3	168.4	0	0	0	113.5	K304 L305 V314 A362 W368	K304-I366 HydrophobicContact CB-CB 4.37Å; K304-I366 HydrophobicContact CB-CD1 4.32Å; L305-I366 HydrophobicContact CB-CD1 4Å; L305-I366 HydrophobicContact CD1-CG2 3.86Å; V314-I366 HydrophobicContact CG1-CD1 4.38Å; A362-I366 HydrophobicContact CB-CD1 4.43Å; A362-I366 HydrophobicContact CB-CG1 4.35Å; A362-I366 CarbonylContact O-C 3.58Å; A362-I366 WeakPolarHBondContact O-CG1 3.29Å; A362-I366 PolarHBondContact O-N 3.49Å; I366-W368 VanDerWaalsContact C-N 3.31Å; I366-W368 HydrophobicContact CD1-CB 3.86Å; I366-W368 HydrophobicContact CD1-CG 4.44Å; I366-W368 HydrophobicContact CG1-CB 3.72Å; I366-W368 PolarHBondContact O-N 3.39Å
367	S	98.1	Very high	96.6	Very high	98 Å²	98	58 Å²	58	69%	0.685	29%	0.294	S	S	*	.			trans	51.8	49.2	178	-52.9	0	0	0	0	112.6	K304 A362 A363	K304-S367 PolarHBondContact NZ-O 3.27Å; A362-S367 PolarHBondContact O-N 3.07Å; A363-S367 VanDerWaalsContact O-CA 3.25Å; A363-S367 WeakPolarHBondContact O-CA 3.48Å; A363-S367 PolarHBondContact O-N 3.11Å
368	W	98.5	Very high	96.5	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.008	29%	0.293	C	S	.	.			trans	-125.2	139.2	-175.7	-179.6	85.9	0	0	0	112.5	D297 G301 K304 I316 G317 I359 A362 A363 I366 P370	D297-W368 HydrophobicContact CB-CZ2 4.14Å; D297-W368 WeakPolarHBondContact O-CZ2 3.48Å; D297-W368 PolarHBondContact O-NE1 2.86Å; G301-W368 VanDerWaalsContact CA-NE1 3.34Å; G301-W368 VanDerWaalsContact N-NE1 3.2Å; K304-W368 HydrophobicContact CD-CB 3.99Å; K304-W368 HydrophobicContact CD-CG 4.37Å; I316-W368 HydrophobicContact CG2-CH2 3.64Å; I316-W368 HydrophobicContact CG2-CZ2 3.79Å; I316-W368 HydrophobicContact CG2-CZ3 4.03Å; G317-W368 VanDerWaalsContact O-CH2 3.31Å; G317-W368 WeakPolarHBondContact O-CH2 3.42Å; I359-W368 HydrophobicContact CG2-CZ3 4.42Å; A362-W368 CarbonylContact C-O 3.5Å; A362-W368 HydrophobicContact CB-CE3 3.64Å; A362-W368 HydrophobicContact CB-CZ3 4.28Å; A362-W368 PolarHBondContact O-N 2.99Å; A362-W368 VanDerWaalsContact O-N 3.15Å; A363-W368 WeakPolarHBondContact CA-O 3.43Å; A363-W368 PolarHBondContact N-O 2.99Å; I366-W368 VanDerWaalsContact C-N 3.31Å; I366-W368 HydrophobicContact CD1-CB 3.86Å; I366-W368 HydrophobicContact CD1-CG 4.44Å; I366-W368 HydrophobicContact CG1-CB 3.72Å; I366-W368 PolarHBondContact O-N 3.39Å; W368-P370 HydrophobicContact CH2-CB 4.42Å; W368-P370 HydrophobicContact CZ2-CB 4.49Å
369	A	97.7	Very high	96.3	Very high	37 Å²	37	60.1 Å²	60.1	31%	0.306	31%	0.305	S	S	.	.			trans	-152.3	149.4	169	0	0	0	0	0	108.7	Q371	A369-Q371 PolarHBondContact O-NE2 2.9Å
370	P	97.3	Very high	96.3	Very high	27 Å²	27	64.4 Å²	64.4	18%	0.175	32%	0.323	C	S	.	.			trans	-61.9	139.6	177.1	29.5	-37.3	0	0	0	111	D297 N318 W368	D297-P370 HydrophobicContact CB-CB 4.26Å; N318-P370 HydrophobicContact CB-CB 4.37Å; N318-P370 HydrophobicContact CB-CG 4.23Å; W368-P370 HydrophobicContact CH2-CB 4.42Å; W368-P370 HydrophobicContact CZ2-CB 4.49Å
371	Q	97	Very high	96.1	Very high	145 Å²	145	56.8 Å²	56.8	68%	0.678	29%	0.294	S	S	*	.			trans	-115.4	-17.9	-177.6	-59.2	-57.8	-61.8	0	0	112.9	D297 A369	D297-Q371 VanDerWaalsContact CG-N 3.31Å; D297-Q371 PolarHBondContact OD1-N 3.1Å; D297-Q371 PolarHBondContact OD2-N 3.19Å; A369-Q371 PolarHBondContact O-NE2 2.9Å
372	V	96.4	Very high	96	Very high	31 Å²	31	54.6 Å²	54.6	19%	0.188	29%	0.286	C	S	.	.	S	Bend	trans	-92.6	120.2	-176.3	-178	0	0	0	0	110.2	Y294 D297 D376	Y294-V372 HydrophobicContact CD1-CB 3.98Å; Y294-V372 HydrophobicContact CD1-CG1 3.7Å; Y294-V372 HydrophobicContact CD1-CG2 3.92Å; Y294-V372 HydrophobicContact CE1-CG1 4.39Å; Y294-V372 HydrophobicContact CG-CB 4.32Å; Y294-V372 HydrophobicContact CG-CG1 3.94Å; D297-V372 PolarHBondContact OD1-N 2.99Å; D297-V372 WeakPolarHBondContact OD2-CB 3.43Å; D297-V372 PolarHBondContact OD2-N 2.82Å; V372-D376 HydrophobicContact CG1-CB 4.4Å
373	H	93	Very high	95.8	Very high	132 Å²	132	58.5 Å²	58.5	61%	0.611	31%	0.307	S	S	*	.			trans	-61.3	140.3	171.5	-66.6	-65.6	0	0	0	110.8	K375 D376 G377	H373-K375 VanDerWaalsContact C-N 3.27Å; H373-K375 PolarHBondContact O-N 3.34Å; H373-D376 IonicContact CD2-OD2 3.87Å; H373-D376 PolarHBondContact O-N 2.94Å; H373-D376 VanDerWaalsContact O-N 3.1Å; H373-G377 PolarHBondContact O-N 3.32Å; H373-G377 VanDerWaalsContact O-N 3.14Å
374	M	90.3	Very high	95.7	Very high	14 Å²	14	58.2 Å²	58.2	7%	0.069	30%	0.295	C	S	.	.	H	α-helix	trans	-52.8	-44.6	-176.4	-179.7	-176.5	62.2	0	0	112.4	F255 H322 F327 I330 D376 G377 L378	F255-M374 HydrophobicContact CZ-CG 4.45Å; H322-M374 PolarHBondContact CD2-SD 3.25Å; H322-M374 WeakPolarHBondContact NE2-CE 3.38Å; H322-M374 PolarHBondContact NE2-SD 3.13Å; H322-M374 VanDerWaalsContact NE2-SD 3.43Å; F327-M374 HydrophobicContact CD2-SD 3.75Å; F327-M374 HydrophobicContact CE2-CG 4.31Å; F327-M374 HydrophobicContact CE2-SD 3.52Å; F327-M374 VanDerWaalsContact CE2-SD 3.52Å; I330-M374 HydrophobicContact CD1-CE 3.75Å; M374-D376 VanDerWaalsContact C-N 3.35Å; M374-D376 PolarHBondContact O-N 3.41Å; M374-G377 PolarHBondContact O-N 3.38Å; M374-L378 HydrophobicContact CG-CD1 3.87Å; M374-L378 HydrophobicContact CG-CG 4.25Å; M374-L378 WeakPolarHBondContact O-CB 3.33Å; M374-L378 WeakPolarHBondContact O-CG 3.33Å; M374-L378 PolarHBondContact O-N 3.24Å; M374-L378 HydrophobicContact SD-CD1 4.39Å
375	K	90.9	Very high	95.5	Very high	125 Å²	125	51.9 Å²	51.9	54%	0.543	27%	0.266	S	S	.	.	H	α-helix	trans	-60.1	-42	-178.8	-167.4	177.7	-179.3	178.4	0	112.6	L334 H373 L378 L379	L334-K375 HydrophobicContact CD1-CG 4.29Å; L334-K375 HydrophobicContact CD2-CD 4.46Å; L334-K375 HydrophobicContact CD2-CG 3.96Å; H373-K375 VanDerWaalsContact C-N 3.27Å; H373-K375 PolarHBondContact O-N 3.34Å; K375-L378 PolarHBondContact O-N 2.97Å; K375-L379 WeakPolarHBondContact O-CG 3.43Å; K375-L379 PolarHBondContact O-N 3.16Å
376	D	94.5	Very high	95.2	Very high	78 Å²	78	51.5 Å²	51.5	42%	0.417	26%	0.261	S	S	.	.	H	α-helix	trans	-68.8	-40.6	179.7	-61.1	-29.8	0	0	0	111.5	V372 H373 M374 L378 K380	V372-D376 HydrophobicContact CG1-CB 4.4Å; H373-D376 IonicContact CD2-OD2 3.87Å; H373-D376 PolarHBondContact O-N 2.94Å; H373-D376 VanDerWaalsContact O-N 3.1Å; M374-D376 VanDerWaalsContact C-N 3.35Å; M374-D376 PolarHBondContact O-N 3.41Å; D376-L378 VanDerWaalsContact C-N 3.32Å; D376-K380 WeakPolarHBondContact O-CG 3.5Å; D376-K380 PolarHBondContact O-N 3.26Å
377	G	95.4	Very high	94.9	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.4	-41.8	172.5	0	0	0	0	0	112	F255 Y294 H373 M374 K380 T381	F255-G377 VanDerWaalsContact CE2-C 3.43Å; Y294-G377 VanDerWaalsContact CE2-CA 3.48Å; Y294-G377 WeakPolarHBondContact CE2-O 3.48Å; H373-G377 PolarHBondContact O-N 3.32Å; H373-G377 VanDerWaalsContact O-N 3.14Å; M374-G377 PolarHBondContact O-N 3.38Å; G377-K380 PolarHBondContact O-N 3.47Å; G377-T381 WeakPolarHBondContact O-CB 3.47Å; G377-T381 PolarHBondContact O-N 2.89Å; G377-T381 VanDerWaalsContact O-N 3.08Å; G377-T381 PolarHBondContact O-OG1 3.22Å
378	L	94.1	Very high	94.5	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-66	-44.8	-179.7	-77.1	173	0	0	0	111.3	F255 V267 I271 F327 I330 I331 L334 M374 K375 D376 K380 T381 V382	F255-L378 HydrophobicContact CD2-CD2 4.11Å; F255-L378 HydrophobicContact CE2-CB 4.44Å; F255-L378 HydrophobicContact CE2-CD2 3.7Å; F255-L378 HydrophobicContact CE2-CG 3.87Å; F255-L378 HydrophobicContact CZ-CD2 4.25Å; F255-L378 HydrophobicContact CZ-CG 4.09Å; V267-L378 HydrophobicContact CG1-CD2 3.93Å; I271-L378 HydrophobicContact CD1-CD2 4.31Å; F327-L378 HydrophobicContact CE2-CD1 4Å; F327-L378 HydrophobicContact CE2-CD2 4.28Å; F327-L378 HydrophobicContact CZ-CD1 4.38Å; F327-L378 HydrophobicContact CZ-CD2 3.87Å; I330-L378 HydrophobicContact CG2-CD1 3.88Å; I331-L378 HydrophobicContact CD1-CD2 4.29Å; I331-L378 HydrophobicContact CG1-CD1 4.38Å; I331-L378 HydrophobicContact CG1-CD2 4.18Å; L334-L378 HydrophobicContact CD1-CB 3.55Å; L334-L378 HydrophobicContact CD1-CD1 3.93Å; L334-L378 HydrophobicContact CD1-CG 4.4Å; M374-L378 HydrophobicContact CG-CD1 3.87Å; M374-L378 HydrophobicContact CG-CG 4.25Å; M374-L378 WeakPolarHBondContact O-CB 3.33Å; M374-L378 WeakPolarHBondContact O-CG 3.33Å; M374-L378 PolarHBondContact O-N 3.24Å; M374-L378 HydrophobicContact SD-CD1 4.39Å; K375-L378 PolarHBondContact O-N 2.97Å; D376-L378 VanDerWaalsContact C-N 3.32Å; L378-K380 PolarHBondContact O-N 3.47Å; L378-T381 CarbonylContact O-C 3.52Å; L378-T381 WeakPolarHBondContact O-CA 3.32Å; L378-T381 WeakPolarHBondContact O-CB 3.4Å; L378-T381 PolarHBondContact O-N 3.3Å; L378-V382 WeakPolarHBondContact O-CG2 3.37Å; L378-V382 PolarHBondContact O-N 3.09Å
379	L	95.1	Very high	94	Very high	65 Å²	65	49.8 Å²	49.8	34%	0.34	25%	0.252	S	S	.	.	H	α-helix	trans	-53.3	-51.6	175.3	-79.1	168	0	0	0	111.7	L334 K375 T381 V382 D383	L334-L379 HydrophobicContact CD2-CD2 3.74Å; L334-L379 HydrophobicContact CD2-CG 3.95Å; K375-L379 WeakPolarHBondContact O-CG 3.43Å; K375-L379 PolarHBondContact O-N 3.16Å; L379-T381 PolarHBondContact O-N 2.97Å; L379-V382 PolarHBondContact O-N 3.22Å; L379-D383 PolarHBondContact O-N 3.29Å
380	K	96.2	Very high	93.5	Very high	112 Å²	112	51.2 Å²	51.2	49%	0.487	25%	0.254	S	S	.	.	H	α-helix	trans	-59.7	-34.8	176.9	-67.5	174.8	-177.5	177.2	0	112.7	Y294 D376 G377 L378 Y384	Y294-K380 HydrophobicContact CE1-CD 4.42Å; Y294-K380 VanDerWaalsContact OH-CD 3.28Å; Y294-K380 WeakPolarHBondContact OH-CD 3.4Å; D376-K380 WeakPolarHBondContact O-CG 3.5Å; D376-K380 PolarHBondContact O-N 3.26Å; G377-K380 PolarHBondContact O-N 3.47Å; L378-K380 PolarHBondContact O-N 3.47Å; K380-Y384 WeakPolarHBondContact O-CB 3.35Å; K380-Y384 PolarHBondContact O-N 2.89Å; K380-Y384 VanDerWaalsContact O-N 3.14Å
381	T	95.7	Very high	92.8	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-74.1	-40.9	179.9	-53.7	0	0	0	0	111.5	F255 G256 I271 G377 L378 L379 Y384 F385	F255-T381 HydrophobicContact CD2-CG2 4.46Å; G256-T381 WeakPolarHBondContact CA-OG1 3.25Å; I271-T381 HydrophobicContact CD1-CG2 3.72Å; G377-T381 WeakPolarHBondContact O-CB 3.47Å; G377-T381 PolarHBondContact O-N 2.89Å; G377-T381 VanDerWaalsContact O-N 3.08Å; G377-T381 PolarHBondContact O-OG1 3.22Å; L378-T381 CarbonylContact O-C 3.52Å; L378-T381 WeakPolarHBondContact O-CA 3.32Å; L378-T381 WeakPolarHBondContact O-CB 3.4Å; L378-T381 PolarHBondContact O-N 3.3Å; L379-T381 PolarHBondContact O-N 2.97Å; T381-Y384 PolarHBondContact O-N 3.31Å; T381-F385 HydrophobicContact CG2-CD2 3.84Å; T381-F385 HydrophobicContact CG2-CE2 3.63Å; T381-F385 VanDerWaalsContact O-CD2 3.27Å; T381-F385 WeakPolarHBondContact O-CD2 3.09Å; T381-F385 PolarHBondContact O-N 3.38Å
382	V	94.8	Very high	91.9	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.006	25%	0.249	C	C	.	.	H	α-helix	trans	-60.7	-47.2	173.7	168.3	0	0	0	0	110.4	I271 L275 V335 L378 L379 Y384 F385 R386	I271-V382 HydrophobicContact CD1-CG2 4.07Å; I271-V382 HydrophobicContact CG1-CG2 4.02Å; I271-V382 HydrophobicContact CG2-CB 4.48Å; I271-V382 HydrophobicContact CG2-CG2 3.94Å; L275-V382 HydrophobicContact CD2-CG1 4.34Å; V335-V382 HydrophobicContact CG2-CG1 3.93Å; V335-V382 HydrophobicContact CG2-CG2 4.16Å; L378-V382 WeakPolarHBondContact O-CG2 3.37Å; L378-V382 PolarHBondContact O-N 3.09Å; L379-V382 PolarHBondContact O-N 3.22Å; V382-Y384 VanDerWaalsContact C-N 3.32Å; V382-Y384 PolarHBondContact O-N 3.08Å; V382-F385 PolarHBondContact O-N 3.08Å; V382-R386 WeakPolarHBondContact O-CB 3.41Å; V382-R386 PolarHBondContact O-N 3.45Å
383	D	95.1	Very high	90.9	Very high	82 Å²	82	57.9 Å²	57.9	44%	0.439	27%	0.274	S	S	.	.	H	α-helix	trans	-62.6	-40.1	179	-70.7	-23.7	0	0	0	112	L379 R386 A387	L379-D383 PolarHBondContact O-N 3.29Å; D383-R386 PolarHBondContact O-N 2.87Å; D383-R386 IonicContact OD1-CZ 3.89Å; D383-R386 IonicContact OD1-NH1 2.72Å; D383-R386 PolarHBondContact OD1-NH1 3.3Å; D383-A387 WeakPolarHBondContact O-CB 3.47Å; D383-A387 PolarHBondContact O-N 2.67Å
384	Y	95	Very high	89.7	Confident	43 Å²	43	61.9 Å²	61.9	17%	0.169	28%	0.284	C	S	.	.	H	α-helix	trans	-59	-50.6	172.9	173	-94.6	0	0	0	111.9	P257 R258 K380 T381 V382 R386 A387 E388	P257-Y384 HydrophobicContact CB-CD1 4.36Å; P257-Y384 HydrophobicContact CB-CD2 3.76Å; P257-Y384 HydrophobicContact CB-CE2 4.43Å; P257-Y384 HydrophobicContact CB-CG 3.73Å; R258-Y384 WeakPolarHBondContact CA-OH 3.28Å; R258-Y384 HydrophobicContact CG-CE2 4.15Å; K380-Y384 WeakPolarHBondContact O-CB 3.35Å; K380-Y384 PolarHBondContact O-N 2.89Å; K380-Y384 VanDerWaalsContact O-N 3.14Å; T381-Y384 PolarHBondContact O-N 3.31Å; V382-Y384 VanDerWaalsContact C-N 3.32Å; V382-Y384 PolarHBondContact O-N 3.08Å; Y384-R386 PolarHBondContact O-N 3Å; Y384-A387 PolarHBondContact O-N 2.93Å; Y384-E388 HydrophobicContact CD1-CG 4.36Å; Y384-E388 HydrophobicContact CE1-CG 3.76Å; Y384-E388 HydrophobicContact CE2-CG 4.08Å; Y384-E388 PolarHBondContact O-N 3.09Å
385	F	93.6	Very high	87.7	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-67.7	-35.2	-179	-78.6	-58.3	0	0	0	112.8	M259 M261 I271 I272 L275 T381 V382 E388 I389	M259-F385 HydrophobicContact CB-CZ 3.93Å; M261-F385 HydrophobicContact CB-CE1 4.48Å; M261-F385 HydrophobicContact CG-CD1 3.84Å; M261-F385 HydrophobicContact CG-CE1 3.75Å; I271-F385 HydrophobicContact CB-CD2 4.32Å; I271-F385 HydrophobicContact CD1-CD2 4.35Å; I271-F385 HydrophobicContact CG2-CB 4.02Å; I271-F385 HydrophobicContact CG2-CD2 3.74Å; I271-F385 HydrophobicContact CG2-CG 4.24Å; I272-F385 HydrophobicContact CD1-CD1 4.47Å; I272-F385 HydrophobicContact CD1-CE1 4.38Å; I272-F385 HydrophobicContact CG1-CD1 4.45Å; L275-F385 HydrophobicContact CD1-CB 3.67Å; T381-F385 HydrophobicContact CG2-CD2 3.84Å; T381-F385 HydrophobicContact CG2-CE2 3.63Å; T381-F385 VanDerWaalsContact O-CD2 3.27Å; T381-F385 WeakPolarHBondContact O-CD2 3.09Å; T381-F385 PolarHBondContact O-N 3.38Å; V382-F385 PolarHBondContact O-N 3.08Å; F385-E388 PolarHBondContact O-N 2.82Å; F385-I389 VanDerWaalsContact O-CG1 3.3Å; F385-I389 WeakPolarHBondContact O-CG1 3.26Å; F385-I389 PolarHBondContact O-N 2.79Å
386	R	92.9	Very high	85.7	Confident	77 Å²	77	59.9 Å²	59.9	29%	0.291	30%	0.303	S	S	.	.	H	α-helix	trans	-58.5	-50.2	172.9	-172.5	-177.4	-61.9	121.2	11.1	110.5	L275 V382 D383 Y384 E388 I389 D390	L275-R386 HydrophobicContact CD1-CB 4.46Å; L275-R386 HydrophobicContact CD2-CB 4.02Å; L275-R386 HydrophobicContact CD2-CG 4.28Å; V382-R386 WeakPolarHBondContact O-CB 3.41Å; V382-R386 PolarHBondContact O-N 3.45Å; D383-R386 PolarHBondContact O-N 2.87Å; D383-R386 IonicContact OD1-CZ 3.89Å; D383-R386 IonicContact OD1-NH1 2.72Å; D383-R386 PolarHBondContact OD1-NH1 3.3Å; Y384-R386 PolarHBondContact O-N 3Å; R386-E388 VanDerWaalsContact C-N 3.33Å; R386-E388 PolarHBondContact O-N 2.98Å; R386-I389 PolarHBondContact O-N 2.67Å; R386-D390 PolarHBondContact O-N 3.35Å
387	A	91.9	Very high	83.2	Confident	55 Å²	55	65.5 Å²	65.5	46%	0.455	32%	0.323	S	S	.	.	H	α-helix	trans	-61.6	-38.5	178.2	0	0	0	0	0	112.8	D383 Y384 R391	D383-A387 WeakPolarHBondContact O-CB 3.47Å; D383-A387 PolarHBondContact O-N 2.67Å; Y384-A387 PolarHBondContact O-N 2.93Å; A387-R391 WeakPolarHBondContact O-CB 3.23Å; A387-R391 PolarHBondContact O-N 2.97Å
388	E	89.7	Confident	80.8	Confident	9 Å²	9	70.4 Å²	70.4	4%	0.042	36%	0.355	C	S	.	.	H	α-helix	trans	-66.6	-42.4	175.4	-74.8	-63.5	93.2	0	0	112.5	K120 M261 Y384 F385 R386 R391 N392	K120-E388 IonicContact NZ-OE1 2.79Å; K120-E388 PolarHBondContact NZ-OE1 2.77Å; K120-E388 IonicContact NZ-OE2 3.13Å; K120-E388 PolarHBondContact NZ-OE2 3.38Å; M261-E388 HydrophobicContact SD-CB 4.27Å; Y384-E388 HydrophobicContact CD1-CG 4.36Å; Y384-E388 HydrophobicContact CE1-CG 3.76Å; Y384-E388 HydrophobicContact CE2-CG 4.08Å; Y384-E388 PolarHBondContact O-N 3.09Å; F385-E388 PolarHBondContact O-N 2.82Å; R386-E388 VanDerWaalsContact C-N 3.33Å; R386-E388 PolarHBondContact O-N 2.98Å; E388-R391 PolarHBondContact O-N 2.92Å; E388-R391 IonicContact OE1-NE 3.73Å; E388-N392 VanDerWaalsContact O-CG 3.3Å; E388-N392 PolarHBondContact O-N 2.81Å; E388-N392 PolarHBondContact O-ND2 2.84Å
389	I	87.5	Confident	78.5	Confident	13 Å²	13	71.9 Å²	71.9	7%	0.067	36%	0.364	C	S	.	.	H	α-helix	trans	-62	-46.1	176.3	-71.2	168.4	0	0	0	110.3	M261 L275 Q276 F385 R386 R391 N392 K393	M261-I389 HydrophobicContact CE-CD1 4.27Å; M261-I389 HydrophobicContact CE-CG1 3.55Å; L275-I389 HydrophobicContact CB-CD1 3.85Å; L275-I389 HydrophobicContact CD1-CD1 3.97Å; Q276-I389 HydrophobicContact CG-CD1 4.37Å; F385-I389 VanDerWaalsContact O-CG1 3.3Å; F385-I389 WeakPolarHBondContact O-CG1 3.26Å; F385-I389 PolarHBondContact O-N 2.79Å; R386-I389 PolarHBondContact O-N 2.67Å; I389-R391 VanDerWaalsContact C-N 3.31Å; I389-R391 PolarHBondContact O-N 2.89Å; I389-N392 PolarHBondContact O-N 3.04Å; I389-K393 HydrophobicContact CG2-CD 4.34Å; I389-K393 WeakPolarHBondContact O-CG 3.47Å; I389-K393 PolarHBondContact O-N 3.5Å
390	D	87.4	Confident	75.9	Confident	66 Å²	66	73.5 Å²	73.5	35%	0.353	38%	0.378	S	S	.	.	H	α-helix	trans	-63.3	-38.4	179.2	-71.4	-19.7	0	0	0	111.8	R386 K393 R394	R386-D390 PolarHBondContact O-N 3.35Å; D390-K393 PolarHBondContact O-N 2.65Å; D390-R394 WeakPolarHBondContact O-CG 3.44Å; D390-R394 PolarHBondContact O-N 3.04Å
391	R	82.8	Confident	73.4	Confident	132 Å²	132	73.4 Å²	73.4	50%	0.498	38%	0.38	S	S	.	.	H	α-helix	trans	-63.4	-42	174.4	-170	-176.8	-67.4	-153.5	1.7	111.9	A387 E388 I389 R394 G396	A387-R391 WeakPolarHBondContact O-CB 3.23Å; A387-R391 PolarHBondContact O-N 2.97Å; E388-R391 PolarHBondContact O-N 2.92Å; E388-R391 IonicContact OE1-NE 3.73Å; I389-R391 VanDerWaalsContact C-N 3.31Å; I389-R391 PolarHBondContact O-N 2.89Å; R391-R394 PolarHBondContact O-N 3.02Å; R391-G396 PolarHBondContact O-N 3.46Å
392	N	78	Confident	70.7	Confident	49 Å²	49	75.2 Å²	75.2	26%	0.262	39%	0.391	S	S	.	.	H	α-helix	trans	-66.7	-37.3	177.6	-70	-18.9	0	0	0	112	E388 I389 R394	E388-N392 VanDerWaalsContact O-CG 3.3Å; E388-N392 PolarHBondContact O-N 2.81Å; E388-N392 PolarHBondContact O-ND2 2.84Å; I389-N392 PolarHBondContact O-N 3.04Å; N392-R394 VanDerWaalsContact C-N 3.32Å; N392-R394 PolarHBondContact O-N 3.3Å
393	K	75.1	Confident	68.1	Low	162 Å²	162	79.5 Å²	79.5	70%	0.704	42%	0.417	S	S	*	.	H	α-helix	trans	-64.5	-32.9	175.9	-74	178.5	179.8	175.6	0	113.1	I389 D390 G395	I389-K393 HydrophobicContact CG2-CD 4.34Å; I389-K393 WeakPolarHBondContact O-CG 3.47Å; I389-K393 PolarHBondContact O-N 3.5Å; D390-K393 PolarHBondContact O-N 2.65Å; K393-G395 PolarHBondContact O-N 2.96Å
394	R	68.4	Low	65.4	Low	216 Å²	216	83.5 Å²	83.5	82%	0.815	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	18.9	-178.4	-68	177.6	-174.1	-178.3	3.5	114.5	D390 R391 N392	D390-R394 WeakPolarHBondContact O-CG 3.44Å; D390-R394 PolarHBondContact O-N 3.04Å; R391-R394 PolarHBondContact O-N 3.02Å; N392-R394 VanDerWaalsContact C-N 3.32Å; N392-R394 PolarHBondContact O-N 3.3Å
395	G	46.6	Very low	62.7	Low	70 Å²	70	86.9 Å²	86.9	72%	0.722	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	15.1	-179.3	0	0	0	0	0	114.4	K393 K397	K393-G395 PolarHBondContact O-N 2.96Å; G395-K397 PolarHBondContact O-N 3.13Å
396	G	49.1	Very low	60	Low	28 Å²	28	91.5 Å²	91.5	29%	0.289	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-58	134	161.8	0	0	0	0	0	109.1	R391	R391-G396 PolarHBondContact O-N 3.46Å
397	K	42.6	Very low	57.3	Low	195 Å²	195	91.2 Å²	91.2	85%	0.848	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-48.3	128.4	176.3	-75.2	-177	177.3	-180	0	108.5	G395	G395-K397 PolarHBondContact O-N 3.13Å
398	P	44.9	Very low	54.5	Low	104 Å²	104	96.5 Å²	96.5	68%	0.675	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-53.6	147.9	178.8	20.4	-30.4	0	0	0	109.3	P400	P398-P400 VanDerWaalsContact O-CD 3.25Å; P398-P400 WeakPolarHBondContact O-CD 3.32Å
399	V	46.9	Very low	52	Low	31 Å²	31	104.8 Å²	104.8	19%	0.188	56%	0.564	C	S	.	*			trans	-45.3	115.9	170.7	166	0	0	0	0	107.9	M261 E401	M261-V399 HydrophobicContact SD-CG2 4.42Å; V399-E401 PolarHBondContact O-N 3.4Å
400	P	40	Very low	49.6	Very low	98 Å²	98	109 Å²	109	64%	0.636	60%	0.595	S	S	*	*			trans	-57.9	129.3	172.5	-18.8	30	0	0	0	107.1	P398	P398-P400 VanDerWaalsContact O-CD 3.25Å; P398-P400 WeakPolarHBondContact O-CD 3.32Å
401	E	44.3	Very low	47	Very low	111 Å²	111	118 Å²	118	52%	0.519	62%	0.624	S	S	.	*			trans	-52.1	150.9	162.7	-71.4	-169	169.3	0	0	108.6	V399 V403 R404	V399-E401 PolarHBondContact O-N 3.4Å; E401-V403 PolarHBondContact O-N 3.2Å; E401-V403 VanDerWaalsContact O-N 3.16Å; E401-R404 IonicContact OE1-NH2 3.44Å; E401-R404 IonicContact OE2-CZ 2.84Å; E401-R404 VanDerWaalsContact OE2-CZ 3.31Å; E401-R404 IonicContact OE2-NE 2.72Å; E401-R404 PolarHBondContact OE2-NE 3.43Å; E401-R404 IonicContact OE2-NH2 2.65Å; E401-R404 PolarHBondContact OE2-NH2 3.4Å
402	P	39	Very low	44.8	Very low	37 Å²	37	126.9 Å²	126.9	24%	0.24	66%	0.657	C	S	.	*	S	Bend	trans	-43.9	130.2	169.3	-23.5	30.9	0	0	0	108.6	R404	P402-R404 PolarHBondContact O-N 2.89Å
403	V	39	Very low	43.1	Very low	91 Å²	91	130.8 Å²	130.8	55%	0.552	68%	0.677	S	S	*	*			trans	-51.2	107.3	-173.1	178.6	0	0	0	0	108.4	E401 L405	E401-V403 PolarHBondContact O-N 3.2Å; E401-V403 VanDerWaalsContact O-N 3.16Å; V403-L405 PolarHBondContact O-N 3.07Å
404	R	39.1	Very low	41.4	Very low	166 Å²	166	129.1 Å²	129.1	63%	0.626	68%	0.676	S	S	*	*			trans	-63.3	104.7	168.2	-65.9	-175.6	-171.4	-166.5	1.4	104.8	E401 P402 A406	E401-R404 IonicContact OE1-NH2 3.44Å; E401-R404 IonicContact OE2-CZ 2.84Å; E401-R404 VanDerWaalsContact OE2-CZ 3.31Å; E401-R404 IonicContact OE2-NE 2.72Å; E401-R404 PolarHBondContact OE2-NE 3.43Å; E401-R404 IonicContact OE2-NH2 2.65Å; E401-R404 PolarHBondContact OE2-NH2 3.4Å; P402-R404 PolarHBondContact O-N 2.89Å; R404-A406 PolarHBondContact O-N 3.08Å
405	L	38.8	Very low	39.9	Very low	115 Å²	115	124.3 Å²	124.3	60%	0.602	67%	0.668	S	S	*	*			trans	-71.3	65.5	166.4	-75.9	165.9	0	0	0	107.9	V403 G407	V403-L405 PolarHBondContact O-N 3.07Å; L405-G407 PolarHBondContact O-N 3.36Å
406	A	37.1	Very low	39.5	Very low	97 Å²	97	127.5 Å²	127.5	80%	0.802	67%	0.665	S	S	*	*			trans	-75.8	104.7	159.4	0	0	0	0	0	105.7	R404	R404-A406 PolarHBondContact O-N 3.08Å
407	G	35.4	Very low	38.9	Very low	71 Å²	71	133.7 Å²	133.7	73%	0.732	69%	0.688	S	S	*	*			trans	147.1	26.4	176	0	0	0	0	0	117.9	L405	L405-G407 PolarHBondContact O-N 3.36Å
408	L	33.8	Very low	38.7	Very low	166 Å²	166	129.6 Å²	129.6	87%	0.869	68%	0.678	S	S	*	*			trans	-128.9	44.5	162.4	-90.5	156.9	0	0	0	109.9
409	E	35.9	Very low	38.3	Very low	182 Å²	182	131.4 Å²	131.4	85%	0.85	68%	0.678	S	S	*	*	S	Bend	trans	-95.7	121.4	158.1	-76.7	-171.5	163.1	0	0	108.6
410	S	36.8	Very low	37.6	Very low	102 Å²	102	139.2 Å²	139.2	71%	0.713	72%	0.716	S	S	*	*			trans	48.9	94.3	161.3	68.3	0	0	0	0	118.2
411	R	32.7	Very low	37.4	Very low	256 Å²	256	142.6 Å²	142.6	97%	0.966	72%	0.722	S	S	*	*				-108.9	114.5	123.9	-73.2	-172.2	-179.2	-172.1	0.6	106.2
412	R	36.7	Very low	36.8	Very low	317 Å²	317	145.5 Å²	145.5	100%	1.196	74%	0.741	S	S	*	*			trans	-58.1	0	178.2	-76.5	-179.1	176	179.6	-1.6	111.4

Retrieved 412 of 412 residues in 183.6 ms (Link to these results)

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