A0A087X234_HUMAN Loading...

Tubulin tyrosine ligase like 7

AlphaFold DB , UniProt , Accession A0A087X234, Species HUMAN (Homo sapiens, Human), Gene TTLL7, Length 543 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	35.7	Very low	34.9	Very low	245 Å²	245	156.5 Å²	156.5	100%	1.207	87%	0.871	S	S	*	*				0	129.6	0	-79.3	-163.8	167.7	0	0	108.5
2	P	41	Very low	34.3	Very low	128 Å²	128	149.7 Å²	149.7	83%	0.831	86%	0.863	S	S	*	*			trans	-96.4	145.5	-179.4	35.9	-28.2	0	0	0	111.4
3	S	30.3	Very low	34.3	Very low	122 Å²	122	148.4 Å²	148.4	85%	0.853	86%	0.863	S	S	*	*			trans	-170.5	108.7	152.5	47.3	0	0	0	0	111
4	L	31.8	Very low	34.3	Very low	164 Å²	164	145.6 Å²	145.6	86%	0.859	86%	0.856	S	S	*	*			trans	-81	-171.4	151.6	-73.4	164	0	0	0	108.5
5	P	53.9	Low	34.3	Very low	111 Å²	111	144.6 Å²	144.6	72%	0.721	86%	0.855	S	S	*	*				-127.3	-178	-69.2	38	-21.5	0	0	0	110.1
6	Q	32	Very low	34.1	Very low	194 Å²	194	144.6 Å²	144.6	91%	0.907	85%	0.849	S	S	*	*			trans	-150.5	136.2	155.4	-116.8	173.2	4.2	0	0	113.4
7	E	32.4	Very low	33.9	Very low	192 Å²	192	146.3 Å²	146.3	90%	0.897	85%	0.854	S	S	*	*			trans	-56.7	158.9	175.2	-60	159.8	152.9	0	0	111.1
8	G	30.2	Very low	33.8	Very low	69 Å²	69	145.4 Å²	145.4	71%	0.711	85%	0.845	S	S	*	*			cis	129	124.4	25.7	0	0	0	0	0	107.1
9	V	32.3	Very low	33.6	Very low	151 Å²	151	145.9 Å²	145.9	92%	0.915	84%	0.844	S	S	*	*			trans	-151.6	132.4	162.8	-176.7	0	0	0	0	110.4
10	I	34	Very low	33.5	Very low	153 Å²	153	144.3 Å²	144.3	79%	0.785	84%	0.836	S	S	*	*			trans	-106.2	141.7	174.3	-64.7	166.6	0	0	0	108.1
11	Q	30.2	Very low	33.4	Very low	192 Å²	192	145.8 Å²	145.8	90%	0.897	84%	0.836	S	S	*	*			trans	176.8	135.6	134.6	-96.2	170.4	18.4	0	0	112.4
12	G	27.6	Very low	33.2	Very low	75 Å²	75	142.4 Å²	142.4	77%	0.773	82%	0.821	S	S	*	*			trans	-84	-145.9	-178.3	0	0	0	0	0	114.3
13	P	35	Very low	32.8	Very low	133 Å²	133	141.4 Å²	141.4	86%	0.864	82%	0.815	S	S	*	*			cis	-124.1	-178.4	-12.7	36.9	-17.7	0	0	0	114.2
14	S	33.4	Very low	32.7	Very low	109 Å²	109	146.6 Å²	146.6	76%	0.762	82%	0.817	S	S	*	*			trans	-56.6	170.6	-174.3	-45.9	0	0	0	0	117.6
15	P	34	Very low	32.7	Very low	131 Å²	131	146.6 Å²	146.6	85%	0.851	81%	0.813	S	S	*	*				-138.9	163.2	89.7	28.1	-8.1	0	0	0	116
16	L	32.4	Very low	31.6	Very low	145 Å²	145	145.6 Å²	145.6	76%	0.759	81%	0.809	S	S	*	*			trans	-64	147.2	-179.1	-68.3	126.1	0	0	0	113.2
17	D	29.6	Very low	31.5	Very low	173 Å²	173	141.8 Å²	141.8	93%	0.925	80%	0.799	S	S	*	*			trans	-136.7	124.9	143.1	-102.4	-28.4	0	0	0	110.1
18	L	32.5	Very low	31.5	Very low	131 Å²	131	140.8 Å²	140.8	69%	0.686	80%	0.796	S	S	*	*			trans	-74.8	137.3	172.5	-90.8	84.7	0	0	0	109.6
19	N	29.3	Very low	31.7	Very low	155 Å²	155	146.6 Å²	146.6	83%	0.829	80%	0.802	S	S	*	*				-170.2	101	126.6	-92.9	-29.1	0	0	0	112.1
20	T	31.8	Very low	31.7	Very low	113 Å²	113	150.7 Å²	150.7	69%	0.693	80%	0.801	S	S	*	*				26.5	132.2	129.7	-19.6	0	0	0	0	121.3
21	E	32.7	Very low	31.8	Very low	176 Å²	176	152.9 Å²	152.9	82%	0.822	81%	0.805	S	S	*	*			trans	88.9	99.9	155.8	-49.7	-155.9	153.4	0	0	120.3
22	L	31.1	Very low	32	Very low	174 Å²	174	150 Å²	150	91%	0.911	80%	0.8	S	S	*	*			trans	-135.4	137.8	146.3	-78.5	173.2	0	0	0	110.3
23	P	32.2	Very low	32.5	Very low	106 Å²	106	158 Å²	158	69%	0.688	81%	0.807	S	S	*	*			trans	-84.2	132.1	-168.2	31.8	-30.2	0	0	0	111.7	Q25	P23-Q25 VanDerWaalsContact C-N 3.34Å; P23-Q25 PolarHBondContact O-N 3.21Å
24	Y	28.9	Very low	32.6	Very low	231 Å²	231	160.9 Å²	160.9	91%	0.906	81%	0.806	S	S	*	*			trans	-70.3	87.1	172.7	-153.4	-92.8	0	0	0	109.8	S26	Y24-S26 PolarHBondContact O-N 3.11Å
25	Q	30.4	Very low	32.9	Very low	165 Å²	165	165.6 Å²	165.6	77%	0.771	81%	0.812	S	S	*	*			trans	-69.6	99	168.7	-80.7	-172.6	-5.8	0	0	109.6	P23 T27	P23-Q25 VanDerWaalsContact C-N 3.34Å; P23-Q25 PolarHBondContact O-N 3.21Å; Q25-T27 VanDerWaalsContact C-N 3.34Å; Q25-T27 PolarHBondContact O-N 2.92Å
26	S	31.3	Very low	33.5	Very low	90 Å²	90	168.2 Å²	168.2	63%	0.629	81%	0.811	S	S	*	*			trans	-63.1	92.6	163.8	176	0	0	0	0	109.5	Y24 M28	Y24-S26 PolarHBondContact O-N 3.11Å; S26-M28 VanDerWaalsContact C-N 3.28Å; S26-M28 PolarHBondContact O-N 3.02Å
27	T	30.4	Very low	34.3	Very low	113 Å²	113	171.1 Å²	171.1	69%	0.693	82%	0.817	S	S	*	*			trans	-71.6	89.5	166	54.9	0	0	0	0	108.4	Q25 K29	Q25-T27 VanDerWaalsContact C-N 3.34Å; Q25-T27 PolarHBondContact O-N 2.92Å; T27-K29 VanDerWaalsContact C-N 3.31Å; T27-K29 PolarHBondContact O-N 2.96Å
28	M	32.7	Very low	35.7	Very low	171 Å²	171	172.3 Å²	172.3	84%	0.842	81%	0.814	S	S	*	*			trans	-59.6	97.1	161.8	-78	-162.3	-178.8	0	0	108.3	S26 R30	S26-M28 VanDerWaalsContact C-N 3.28Å; S26-M28 PolarHBondContact O-N 3.02Å; M28-R30 VanDerWaalsContact C-N 3.29Å; M28-R30 PolarHBondContact O-N 3.02Å
29	K	33	Very low	37.4	Very low	192 Å²	192	168.3 Å²	168.3	84%	0.835	80%	0.804	S	S	*	*			trans	-60.8	97.5	165.2	-76.7	-174.6	179.6	177.1	0	107.5	T27 K31	T27-K29 VanDerWaalsContact C-N 3.31Å; T27-K29 PolarHBondContact O-N 2.96Å; K29-K31 PolarHBondContact O-N 3.21Å
30	R	33.2	Very low	40.2	Very low	236 Å²	236	164.7 Å²	164.7	89%	0.891	79%	0.788	S	S	*	*			trans	-55.9	102	172.6	-151.3	173.6	175.8	-176	-1.2	106.7	M28 V32	M28-R30 VanDerWaalsContact C-N 3.29Å; M28-R30 PolarHBondContact O-N 3.02Å; R30-V32 PolarHBondContact O-N 3.35Å
31	K	35.6	Very low	43.2	Very low	200 Å²	200	160.8 Å²	160.8	87%	0.87	76%	0.762	S	S	*	*			trans	-55	102.6	174.7	-83.4	-179.4	177.2	173	0	107.2	K29 R33	K29-K31 PolarHBondContact O-N 3.21Å; K31-R33 PolarHBondContact O-N 3.36Å
32	V	34.4	Very low	46.3	Very low	132 Å²	132	153.5 Å²	153.5	80%	0.8	73%	0.73	S	S	*	*			trans	-55.6	110	170.1	177.5	0	0	0	0	105.7	R30 K34	R30-V32 PolarHBondContact O-N 3.35Å; V32-K34 VanDerWaalsContact C-N 3.29Å; V32-K34 PolarHBondContact O-N 2.89Å
33	R	38.2	Very low	49.5	Very low	241 Å²	241	145.2 Å²	145.2	91%	0.909	69%	0.687	S	S	*	*			trans	-58.3	98.5	170.3	-87.9	178.7	163.4	174.7	-4.2	106.1	K31 K35	K31-R33 PolarHBondContact O-N 3.36Å; R33-K35 PolarHBondContact O-N 2.79Å
34	K	38.5	Very low	52.6	Low	194 Å²	194	141 Å²	141	84%	0.843	66%	0.658	S	S	*	*			trans	-49.3	117.3	164.7	-87.8	-177	174.2	177.8	0	105.9	V32 K36	V32-K34 VanDerWaalsContact C-N 3.29Å; V32-K34 PolarHBondContact O-N 2.89Å; K34-K36 PolarHBondContact O-N 3.07Å
35	K	38.9	Very low	55.9	Low	208 Å²	208	130.2 Å²	130.2	90%	0.904	62%	0.616	S	S	*	*			trans	-47.5	113.1	168.8	-94.5	179.2	174	173.9	0	106	R33 K37	R33-K35 PolarHBondContact O-N 2.79Å; K35-K37 PolarHBondContact O-N 3.42Å; K35-K37 VanDerWaalsContact O-N 3.08Å
36	K	45.8	Very low	59.1	Low	187 Å²	187	124.7 Å²	124.7	81%	0.813	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-53	120.9	175.3	-82.3	177.7	175.3	172.6	0	106.1	K34 K38	K34-K36 PolarHBondContact O-N 3.07Å; K36-K38 PolarHBondContact O-N 3.27Å; K36-K38 VanDerWaalsContact O-N 3.08Å
37	K	50.8	Low	62.2	Low	206 Å²	206	122 Å²	122	90%	0.896	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-48.2	123	168.9	-79.2	-173.8	173.9	-174.8	0	106.3	K35 G39	K35-K37 PolarHBondContact O-N 3.42Å; K35-K37 VanDerWaalsContact O-N 3.08Å; K37-G39 PolarHBondContact O-N 2.88Å; K37-G39 VanDerWaalsContact O-N 3.1Å
38	K	57.6	Low	65.4	Low	198 Å²	198	116.9 Å²	116.9	86%	0.861	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-53.9	122.1	171.4	-78.2	-177.3	176.3	-179.3	0	105.2	K36 T40	K36-K38 PolarHBondContact O-N 3.27Å; K36-K38 VanDerWaalsContact O-N 3.08Å; K38-T40 PolarHBondContact O-N 3.22Å
39	G	68.6	Low	68.4	Low	47 Å²	47	116.1 Å²	116.1	49%	0.485	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-57.1	143.1	176.6	0	0	0	0	0	108.6	K37 T382	K37-G39 PolarHBondContact O-N 2.88Å; K37-G39 VanDerWaalsContact O-N 3.1Å; G39-T382 WeakPolarHBondContact O-CG2 3.4Å
40	T	87.9	Confident	71.5	Confident	78 Å²	78	108.3 Å²	108.3	48%	0.479	51%	0.512	S	S	.	.			trans	-107.4	139.6	179.8	-49.9	0	0	0	0	108.3	K38 M63	K38-T40 PolarHBondContact O-N 3.22Å; T40-M63 HydrophobicContact CG2-CB 3.77Å; T40-M63 HydrophobicContact CG2-CE 3.92Å; T40-M63 HydrophobicContact CG2-SD 4.16Å
41	I	94.9	Very high	74.6	Confident	31 Å²	31	104.3 Å²	104.3	16%	0.159	50%	0.504	C	S	.	.			trans	-88.8	132.6	172.6	-49.4	172	0	0	0	106.8	F62 M63 N73 I380 T382	I41-F62 HydrophobicContact CB-CD1 4.24Å; I41-F62 HydrophobicContact CB-CE1 4.36Å; I41-F62 HydrophobicContact CG2-CD1 3.45Å; I41-F62 VanDerWaalsContact CG2-CD1 3.45Å; I41-F62 HydrophobicContact CG2-CE1 3.26Å; I41-F62 HydrophobicContact CG2-CE2 4.48Å; I41-F62 HydrophobicContact CG2-CG 4.19Å; I41-F62 HydrophobicContact CG2-CZ 3.84Å; I41-F62 WeakPolarHBondContact O-CA 3.27Å; I41-M63 PolarHBondContact O-N 3.14Å; I41-N73 HydrophobicContact CG2-CB 3.71Å; I41-I380 WeakPolarHBondContact CD1-O 3.3Å; I41-I380 HydrophobicContact CG2-CG2 3.67Å; I41-T382 HydrophobicContact CD1-CG2 4.06Å; I41-T382 HydrophobicContact CG1-CG2 3.48Å; I41-T382 VanDerWaalsContact CG1-CG2 3.48Å
42	T	97.1	Very high	77.6	Confident	24 Å²	24	95 Å²	95	15%	0.147	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	149.2	-173.3	50.5	0	0	0	0	111.2	M63 T65 S72 N73 L74	T42-M63 CarbonylContact C-O 3.55Å; T42-M63 VanDerWaalsContact CA-O 3.23Å; T42-M63 WeakPolarHBondContact CA-O 3.41Å; T42-M63 HydrophobicContact CG2-CB 4.34Å; T42-T65 HydrophobicContact CG2-CG2 4.1Å; T42-S72 WeakPolarHBondContact OG1-CA 3.1Å; T42-N73 PolarHBondContact N-OD1 2.71Å; T42-N73 WeakPolarHBondContact O-CA 3.49Å; T42-N73 WeakPolarHBondContact O-CB 3.32Å; T42-N73 PolarHBondContact O-N 3.35Å; T42-N73 PolarHBondContact OG1-N 3.15Å; T42-N73 PolarHBondContact OG1-OD1 3.2Å; T42-L74 PolarHBondContact O-N 3.24Å; T42-L74 VanDerWaalsContact O-N 3.08Å
43	A	98.3	Very high	80.6	Confident	0 Å²	0	88.8 Å²	88.8	0%	0	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	132.7	177.3	0	0	0	0	0	111.9	V45 I57 F62 M63 K64 T65 L74	A43-V45 HydrophobicContact CB-CG1 4.36Å; A43-I57 HydrophobicContact CB-CG2 3.51Å; A43-F62 HydrophobicContact CB-CB 3.93Å; A43-F62 HydrophobicContact CB-CD1 3.96Å; A43-F62 HydrophobicContact CB-CG 4.37Å; A43-M63 PolarHBondContact N-O 3.43Å; A43-K64 WeakPolarHBondContact O-CA 3.39Å; A43-T65 PolarHBondContact O-N 3.1Å; A43-T65 PolarHBondContact O-OG1 3.34Å; A43-L74 CarbonylContact C-O 3.56Å; A43-L74 VanDerWaalsContact CA-O 3.24Å; A43-L74 WeakPolarHBondContact CA-O 3.47Å; A43-L74 HydrophobicContact CB-CB 4.09Å; A43-L74 HydrophobicContact CB-CD2 4.29Å; A43-L74 HydrophobicContact CB-CG 4.46Å
44	N	98.3	Very high	83.5	Confident	16 Å²	16	81.9 Å²	81.9	9%	0.086	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	119.6	165.4	-173.2	-44.1	0	0	0	108.7	A46 D67 D69 S72 L74 I75 W76	N44-A46 VanDerWaalsContact OD1-CB 3.31Å; N44-A46 WeakPolarHBondContact OD1-CB 3.44Å; N44-A46 PolarHBondContact OD1-N 3.2Å; N44-D67 PolarHBondContact ND2-O 3.23Å; N44-D69 PolarHBondContact ND2-O 3.34Å; N44-S72 VanDerWaalsContact CB-OG 3.32Å; N44-S72 WeakPolarHBondContact CB-OG 3.28Å; N44-L74 PolarHBondContact N-O 2.91Å; N44-I75 HydrophobicContact CB-CG1 4.49Å; N44-W76 PolarHBondContact O-N 3.23Å
45	V	97.9	Very high	86.3	Confident	5 Å²	5	76.2 Å²	76.2	3%	0.03	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	19.8	-177.8	-62	0	0	0	0	111.9	A43 G47 T48 R54 I57 K64	A43-V45 HydrophobicContact CB-CG1 4.36Å; V45-G47 PolarHBondContact O-N 3.05Å; V45-T48 HydrophobicContact CB-CG2 4.11Å; V45-T48 WeakPolarHBondContact O-CG2 3.4Å; V45-T48 PolarHBondContact O-N 2.82Å; V45-R54 HydrophobicContact CG2-CG 4.44Å; V45-I57 HydrophobicContact CG1-CD1 3.44Å; V45-I57 VanDerWaalsContact CG1-CD1 3.44Å; V45-I57 HydrophobicContact CG1-CG2 4.23Å; V45-K64 HydrophobicContact CG2-CD 3.79Å; V45-K64 HydrophobicContact CG2-CG 4Å
46	A	97.1	Very high	89.2	Confident	50 Å²	50	66.3 Å²	66.3	41%	0.413	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	-32.5	176.5	0	0	0	0	0	111.6	N44 T48 D67	N44-A46 VanDerWaalsContact OD1-CB 3.31Å; N44-A46 WeakPolarHBondContact OD1-CB 3.44Å; N44-A46 PolarHBondContact OD1-N 3.2Å; A46-T48 VanDerWaalsContact C-N 3.29Å; A46-T48 PolarHBondContact O-N 3.29Å; A46-D67 HydrophobicContact CB-CB 3.61Å
47	G	96.7	Very high	91.7	Very high	33 Å²	33	57.8 Å²	57.8	34%	0.34	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-0	-178.7	0	0	0	0	0	115.5	V45 W76 C77 D78	V45-G47 PolarHBondContact O-N 3.05Å; G47-W76 CarbonylContact C-O 3.49Å; G47-W76 WeakPolarHBondContact CA-O 3.49Å; G47-C77 CarbonylContact O-C 3.43Å; G47-C77 WeakPolarHBondContact O-CA 3.32Å; G47-D78 PolarHBondContact O-N 2.69Å
48	T	97.6	Very high	93.9	Very high	6 Å²	6	53.5 Å²	53.5	4%	0.037	29%	0.285	C	S	.	.			trans	-109	141.9	175.5	-162.8	0	0	0	0	112.6	V45 A46 F50 V53 R54 D78	V45-T48 HydrophobicContact CB-CG2 4.11Å; V45-T48 WeakPolarHBondContact O-CG2 3.4Å; V45-T48 PolarHBondContact O-N 2.82Å; A46-T48 VanDerWaalsContact C-N 3.29Å; A46-T48 PolarHBondContact O-N 3.29Å; T48-F50 PolarHBondContact OG1-N 3.47Å; T48-V53 HydrophobicContact CG2-CB 4.12Å; T48-V53 HydrophobicContact CG2-CG1 3.9Å; T48-R54 HydrophobicContact CG2-CG 3.89Å; T48-R54 PolarHBondContact O-NH2 3.04Å; T48-D78 WeakPolarHBondContact CA-OD1 3.43Å; T48-D78 WeakPolarHBondContact CA-OD2 3.4Å; T48-D78 VanDerWaalsContact CB-OD1 3.28Å; T48-D78 WeakPolarHBondContact CB-OD1 3.36Å; T48-D78 PolarHBondContact OG1-OD1 3.16Å; T48-D78 PolarHBondContact OG1-OD2 2.86Å
49	K	97.1	Very high	95.8	Very high	154 Å²	154	48.5 Å²	48.5	67%	0.67	27%	0.265	S	S	*	.			trans	-99.4	-12.9	167.3	73.8	-162.8	168.2	-173.3	0	113.2	R54 D78	K49-R54 PolarHBondContact O-NH1 3.38Å; K49-D78 WeakPolarHBondContact CG-OD2 3.49Å; K49-D78 PolarHBondContact N-OD2 2.82Å
50	F	97.8	Very high	97.1	Very high	28 Å²	28	48.9 Å²	48.9	12%	0.123	26%	0.255	C	S	.	.			trans	-86.5	125.2	-172.3	-58.8	-68.9	0	0	0	112	T48 I52 V53 D78 F356 G357	T48-F50 PolarHBondContact OG1-N 3.47Å; F50-I52 VanDerWaalsContact C-N 3.32Å; F50-I52 HydrophobicContact CB-CG2 4.46Å; F50-I52 PolarHBondContact O-N 2.88Å; F50-V53 HydrophobicContact CB-CB 4.49Å; F50-V53 HydrophobicContact CB-CG2 3.97Å; F50-V53 PolarHBondContact O-N 3.31Å; F50-D78 WeakPolarHBondContact CD2-OD1 3.13Å; F50-D78 VanDerWaalsContact CD2-OD2 3.28Å; F50-D78 WeakPolarHBondContact CD2-OD2 3.43Å; F50-D78 HydrophobicContact CE2-CB 4.22Å; F50-D78 WeakPolarHBondContact CE2-OD2 3.32Å; F50-F356 HydrophobicContact CB-CB 3.97Å; F50-F356 VanDerWaalsContact CD1-C 3.41Å; F50-F356 HydrophobicContact CD1-CB 4.17Å; F50-F356 HydrophobicContact CD2-CB 3.86Å; F50-F356 HydrophobicContact CD2-CD2 4.29Å; F50-F356 HydrophobicContact CE2-CB 4.37Å; F50-F356 HydrophobicContact CE2-CD2 4.48Å; F50-F356 HydrophobicContact CG-CB 3.74Å; F50-G357 VanDerWaalsContact CD1-N 3.3Å
51	E	97.8	Very high	97.4	Very high	152 Å²	152	47.9 Å²	47.9	71%	0.71	26%	0.26	S	S	*	.	H	α-helix	trans	-63	-37.9	179.4	-66.3	-176.4	164.8	0	0	112.6	V53 R54 L55	E51-V53 PolarHBondContact O-N 3.45Å; E51-R54 WeakPolarHBondContact O-CB 3.5Å; E51-R54 PolarHBondContact O-N 3.14Å; E51-L55 WeakPolarHBondContact O-CB 3.31Å; E51-L55 PolarHBondContact O-N 3.16Å
52	I	98.2	Very high	97.5	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.021	25%	0.254	C	S	.	.	H	α-helix	trans	-62.7	-30.3	-179.4	-164.7	56.1	0	0	0	112.9	F50 L55 V56 F356 T358 Y364 R368 L371	F50-I52 VanDerWaalsContact C-N 3.32Å; F50-I52 HydrophobicContact CB-CG2 4.46Å; F50-I52 PolarHBondContact O-N 2.88Å; I52-L55 HydrophobicContact CD1-CD2 3.88Å; I52-V56 HydrophobicContact CD1-CG2 4.42Å; I52-V56 HydrophobicContact CG1-CG2 4.5Å; I52-V56 WeakPolarHBondContact O-CB 3.48Å; I52-V56 VanDerWaalsContact O-CG2 3.27Å; I52-V56 WeakPolarHBondContact O-CG2 3.4Å; I52-V56 PolarHBondContact O-N 2.97Å; I52-F356 HydrophobicContact CG2-CB 3.83Å; I52-F356 WeakPolarHBondContact CG2-O 3.19Å; I52-T358 HydrophobicContact CB-CG2 3.86Å; I52-T358 HydrophobicContact CG1-CG2 4.05Å; I52-T358 HydrophobicContact CG2-CG2 4.03Å; I52-Y364 HydrophobicContact CD1-CD2 3.73Å; I52-Y364 HydrophobicContact CD1-CE2 3.55Å; I52-R368 HydrophobicContact CD1-CB 3.95Å; I52-R368 HydrophobicContact CD1-CG 4.2Å; I52-R368 HydrophobicContact CG1-CB 4.28Å; I52-L371 HydrophobicContact CG1-CD1 4.35Å; I52-L371 HydrophobicContact CG2-CD1 3.87Å
53	V	98.4	Very high	97.5	Very high	2 Å²	2	51 Å²	51	1%	0.012	27%	0.273	C	S	.	.	H	α-helix	trans	-66.5	-47.2	174.2	174.1	0	0	0	0	109.7	T48 F50 E51 V56 I57 W76 F356 L371	T48-V53 HydrophobicContact CG2-CB 4.12Å; T48-V53 HydrophobicContact CG2-CG1 3.9Å; F50-V53 HydrophobicContact CB-CB 4.49Å; F50-V53 HydrophobicContact CB-CG2 3.97Å; F50-V53 PolarHBondContact O-N 3.31Å; E51-V53 PolarHBondContact O-N 3.45Å; V53-V56 PolarHBondContact O-N 3.4Å; V53-I57 HydrophobicContact CG1-CD1 3.79Å; V53-I57 WeakPolarHBondContact O-CB 3.47Å; V53-I57 VanDerWaalsContact O-CG1 3.27Å; V53-I57 WeakPolarHBondContact O-CG1 3.45Å; V53-I57 PolarHBondContact O-N 3.3Å; V53-W76 HydrophobicContact CG1-CD2 3.66Å; V53-W76 HydrophobicContact CG1-CE3 4.35Å; V53-W76 HydrophobicContact CG1-CG 3.72Å; V53-W76 HydrophobicContact CG1-CZ2 4.3Å; V53-W76 HydrophobicContact CG2-CZ2 4.11Å; V53-F356 HydrophobicContact CG2-CB 4.3Å; V53-F356 HydrophobicContact CG2-CD2 4.36Å; V53-F356 HydrophobicContact CG2-CG 4.43Å; V53-L371 HydrophobicContact CG2-CD1 3.86Å; V53-L371 HydrophobicContact CG2-CD2 4.43Å
54	R	98.4	Very high	97.4	Very high	97 Å²	97	57 Å²	57	37%	0.366	30%	0.299	S	S	.	.	H	α-helix	trans	-62.6	-45.2	178.1	-57.4	-172.7	-172.5	106	-6.1	111.2	V45 T48 K49 E51 V56 I57 D58	V45-R54 HydrophobicContact CG2-CG 4.44Å; T48-R54 HydrophobicContact CG2-CG 3.89Å; T48-R54 PolarHBondContact O-NH2 3.04Å; K49-R54 PolarHBondContact O-NH1 3.38Å; E51-R54 WeakPolarHBondContact O-CB 3.5Å; E51-R54 PolarHBondContact O-N 3.14Å; R54-V56 PolarHBondContact O-N 3.45Å; R54-I57 PolarHBondContact O-N 2.89Å; R54-D58 WeakPolarHBondContact O-CB 3.43Å; R54-D58 PolarHBondContact O-N 3.15Å
55	L	98.3	Very high	97.4	Very high	74 Å²	74	56.7 Å²	56.7	39%	0.387	30%	0.298	S	S	.	.	H	α-helix	trans	-58.3	-48.5	178.4	-177.9	67.5	0	0	0	111.7	E51 I52 D58 E59 Y364	E51-L55 WeakPolarHBondContact O-CB 3.31Å; E51-L55 PolarHBondContact O-N 3.16Å; I52-L55 HydrophobicContact CD1-CD2 3.88Å; L55-D58 PolarHBondContact O-N 2.99Å; L55-E59 WeakPolarHBondContact O-CB 3.35Å; L55-E59 PolarHBondContact O-N 3.02Å; L55-Y364 HydrophobicContact CD2-CE2 3.89Å
56	V	98.4	Very high	97.4	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.006	32%	0.323	C	S	.	.	H	α-helix	trans	-67.8	-37.7	-178.6	167.5	0	0	0	0	112	I52 V53 R54 E59 M60 R368 L371 L372 L375	I52-V56 HydrophobicContact CD1-CG2 4.42Å; I52-V56 HydrophobicContact CG1-CG2 4.5Å; I52-V56 WeakPolarHBondContact O-CB 3.48Å; I52-V56 VanDerWaalsContact O-CG2 3.27Å; I52-V56 WeakPolarHBondContact O-CG2 3.4Å; I52-V56 PolarHBondContact O-N 2.97Å; V53-V56 PolarHBondContact O-N 3.4Å; R54-V56 PolarHBondContact O-N 3.45Å; V56-E59 PolarHBondContact O-N 3.02Å; V56-M60 WeakPolarHBondContact O-CB 3.43Å; V56-M60 VanDerWaalsContact O-CG 3.31Å; V56-M60 WeakPolarHBondContact O-CG 3.39Å; V56-M60 PolarHBondContact O-N 3.14Å; V56-R368 HydrophobicContact CG2-CB 4.49Å; V56-R368 HydrophobicContact CG2-CG 3.74Å; V56-L371 HydrophobicContact CB-CB 4.25Å; V56-L371 HydrophobicContact CG1-CB 3.87Å; V56-L371 HydrophobicContact CG2-CB 4.17Å; V56-L372 HydrophobicContact CG1-CB 3.92Å; V56-L372 HydrophobicContact CG1-CD1 4.14Å; V56-L375 HydrophobicContact CG1-CD1 4Å
57	I	97.9	Very high	97.3	Very high	8 Å²	8	61.9 Å²	61.9	4%	0.041	32%	0.324	C	S	.	.	H	α-helix	trans	-64.5	-42.7	176.5	-73	173.1	0	0	0	110.5	A43 V45 V53 R54 M60 F62 L74 W76 L375	A43-I57 HydrophobicContact CB-CG2 3.51Å; V45-I57 HydrophobicContact CG1-CD1 3.44Å; V45-I57 VanDerWaalsContact CG1-CD1 3.44Å; V45-I57 HydrophobicContact CG1-CG2 4.23Å; V53-I57 HydrophobicContact CG1-CD1 3.79Å; V53-I57 WeakPolarHBondContact O-CB 3.47Å; V53-I57 VanDerWaalsContact O-CG1 3.27Å; V53-I57 WeakPolarHBondContact O-CG1 3.45Å; V53-I57 PolarHBondContact O-N 3.3Å; R54-I57 PolarHBondContact O-N 2.89Å; I57-M60 PolarHBondContact O-N 3.13Å; I57-F62 HydrophobicContact CG2-CB 3.65Å; I57-F62 HydrophobicContact CG2-CG 4.25Å; I57-F62 WeakPolarHBondContact O-CB 3.09Å; I57-F62 PolarHBondContact O-N 3.06Å; I57-L74 HydrophobicContact CD1-CD2 3.9Å; I57-L74 HydrophobicContact CG1-CD2 4.02Å; I57-W76 HydrophobicContact CD1-CB 4.37Å; I57-L375 HydrophobicContact CG1-CD1 3.79Å
58	D	97.4	Very high	97.2	Very high	116 Å²	116	67.8 Å²	67.8	62%	0.62	34%	0.342	S	S	*	.	H	α-helix	trans	-64.2	-44.7	174.6	-173.6	71.3	0	0	0	111.9	R54 L55 M60 G61	R54-D58 WeakPolarHBondContact O-CB 3.43Å; R54-D58 PolarHBondContact O-N 3.15Å; L55-D58 PolarHBondContact O-N 2.99Å; D58-M60 PolarHBondContact O-N 2.89Å; D58-G61 WeakPolarHBondContact O-CA 3.34Å; D58-G61 PolarHBondContact O-N 3.37Å
59	E	97.1	Very high	97	Very high	93 Å²	93	69.5 Å²	69.5	44%	0.435	35%	0.351	S	S	.	.	H	α-helix	trans	-60.1	-34	176.5	-168.8	-172.3	152.8	0	0	112.5	L55 V56 G61 R368	L55-E59 WeakPolarHBondContact O-CB 3.35Å; L55-E59 PolarHBondContact O-N 3.02Å; V56-E59 PolarHBondContact O-N 3.02Å; E59-G61 PolarHBondContact O-N 3.03Å; E59-R368 IonicContact OE1-CZ 3.49Å; E59-R368 IonicContact OE1-NH2 3.67Å; E59-R368 PolarHBondContact OE1-NH2 2.98Å; E59-R368 IonicContact OE2-CZ 3.45Å; E59-R368 VanDerWaalsContact OE2-CZ 3.25Å; E59-R368 IonicContact OE2-NE 3.29Å; E59-R368 PolarHBondContact OE2-NE 2.98Å; E59-R368 IonicContact OE2-NH2 3.77Å; E59-R368 PolarHBondContact OE2-NH2 2.66Å
60	M	95.8	Very high	96.8	Very high	55 Å²	55	67.7 Å²	67.7	27%	0.271	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-4.4	173.6	-76.7	-68.6	-63.8	0	0	113.5	V56 I57 D58 F62 L372 L375 K376	V56-M60 WeakPolarHBondContact O-CB 3.43Å; V56-M60 VanDerWaalsContact O-CG 3.31Å; V56-M60 WeakPolarHBondContact O-CG 3.39Å; V56-M60 PolarHBondContact O-N 3.14Å; I57-M60 PolarHBondContact O-N 3.13Å; D58-M60 PolarHBondContact O-N 2.89Å; M60-F62 HydrophobicContact CB-CD2 3.52Å; M60-F62 HydrophobicContact CB-CE2 3.65Å; M60-F62 HydrophobicContact CE-CE2 4.26Å; M60-L372 HydrophobicContact CG-CD1 3.76Å; M60-L372 HydrophobicContact SD-CD1 3.58Å; M60-L372 VanDerWaalsContact SD-CD1 3.58Å; M60-L375 HydrophobicContact CE-CB 4.03Å; M60-L375 HydrophobicContact CG-CB 4.1Å; M60-L375 HydrophobicContact CG-CD1 4.03Å; M60-L375 HydrophobicContact SD-CB 4.42Å; M60-K376 HydrophobicContact CE-CG 3.9Å; M60-K376 HydrophobicContact SD-CG 3.75Å
61	G	95.8	Very high	96.7	Very high	57 Å²	57	69.2 Å²	69.2	59%	0.588	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.2	21.6	179.3	0	0	0	0	0	114.1	D58 E59	D58-G61 WeakPolarHBondContact O-CA 3.34Å; D58-G61 PolarHBondContact O-N 3.37Å; E59-G61 PolarHBondContact O-N 3.03Å
62	F	96.4	Very high	96.6	Very high	9 Å²	9	62 Å²	62	4%	0.039	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-80.6	131.7	175.7	-73	-119.6	0	0	0	109.6	I41 A43 I57 M60 K64 L74 I380	I41-F62 HydrophobicContact CB-CD1 4.24Å; I41-F62 HydrophobicContact CB-CE1 4.36Å; I41-F62 HydrophobicContact CG2-CD1 3.45Å; I41-F62 VanDerWaalsContact CG2-CD1 3.45Å; I41-F62 HydrophobicContact CG2-CE1 3.26Å; I41-F62 HydrophobicContact CG2-CE2 4.48Å; I41-F62 HydrophobicContact CG2-CG 4.19Å; I41-F62 HydrophobicContact CG2-CZ 3.84Å; I41-F62 WeakPolarHBondContact O-CA 3.27Å; A43-F62 HydrophobicContact CB-CB 3.93Å; A43-F62 HydrophobicContact CB-CD1 3.96Å; A43-F62 HydrophobicContact CB-CG 4.37Å; I57-F62 HydrophobicContact CG2-CB 3.65Å; I57-F62 HydrophobicContact CG2-CG 4.25Å; I57-F62 WeakPolarHBondContact O-CB 3.09Å; I57-F62 PolarHBondContact O-N 3.06Å; M60-F62 HydrophobicContact CB-CD2 3.52Å; M60-F62 HydrophobicContact CB-CE2 3.65Å; M60-F62 HydrophobicContact CE-CE2 4.26Å; F62-K64 PolarHBondContact O-N 2.79Å; F62-L74 HydrophobicContact CD1-CB 4.08Å; F62-L74 HydrophobicContact CD1-CD2 4.23Å; F62-L74 HydrophobicContact CE1-CB 3.83Å; F62-L74 HydrophobicContact CE1-CD2 4.05Å; F62-I380 HydrophobicContact CE1-CB 4.31Å; F62-I380 HydrophobicContact CE1-CD1 3.92Å; F62-I380 HydrophobicContact CE1-CG2 4.23Å; F62-I380 HydrophobicContact CZ-CB 4.03Å; F62-I380 HydrophobicContact CZ-CD1 4Å; F62-I380 HydrophobicContact CZ-CG1 4.45Å; F62-I380 HydrophobicContact CZ-CG2 4.41Å
63	M	96.7	Very high	96.5	Very high	111 Å²	111	62 Å²	62	55%	0.547	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	118.9	174.8	-179.5	179.3	-77.9	0	0	109.8	T40 I41 T42 A43 T65	T40-M63 HydrophobicContact CG2-CB 3.77Å; T40-M63 HydrophobicContact CG2-CE 3.92Å; T40-M63 HydrophobicContact CG2-SD 4.16Å; I41-M63 PolarHBondContact O-N 3.14Å; T42-M63 CarbonylContact C-O 3.55Å; T42-M63 VanDerWaalsContact CA-O 3.23Å; T42-M63 WeakPolarHBondContact CA-O 3.41Å; T42-M63 HydrophobicContact CG2-CB 4.34Å; A43-M63 PolarHBondContact N-O 3.43Å; M63-T65 PolarHBondContact O-N 2.78Å
64	K	97.3	Very high	96.5	Very high	125 Å²	125	61.9 Å²	61.9	54%	0.543	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	131.4	171.8	177.7	177.8	178.8	-167.8	0	110	A43 V45 F62 D67	A43-K64 WeakPolarHBondContact O-CA 3.39Å; V45-K64 HydrophobicContact CG2-CD 3.79Å; V45-K64 HydrophobicContact CG2-CG 4Å; F62-K64 PolarHBondContact O-N 2.79Å; K64-D67 IonicContact NZ-OD1 3.29Å; K64-D67 PolarHBondContact NZ-OD1 3.03Å
65	T	97.3	Very high	96.5	Very high	10 Å²	10	57.9 Å²	57.9	6%	0.061	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-91.1	165.4	171.9	63	0	0	0	0	111.5	T42 A43 M63 D69	T42-T65 HydrophobicContact CG2-CG2 4.1Å; A43-T65 PolarHBondContact O-N 3.1Å; A43-T65 PolarHBondContact O-OG1 3.34Å; M63-T65 PolarHBondContact O-N 2.78Å; T65-D69 HydrophobicContact CG2-CB 4.4Å; T65-D69 WeakPolarHBondContact CG2-OD2 3.4Å
66	P	97.1	Very high	96.5	Very high	84 Å²	84	54.6 Å²	54.6	55%	0.545	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-52.2	153	159.8	-23.1	34.6	0	0	0	110.9	E68 D69	P66-E68 PolarHBondContact O-N 2.77Å; P66-D69 WeakPolarHBondContact O-CB 3.41Å; P66-D69 PolarHBondContact O-N 3.01Å; P66-D69 VanDerWaalsContact O-N 3.13Å
67	D	95.4	Very high	96.5	Very high	81 Å²	81	55.8 Å²	55.8	43%	0.433	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-25.5	-171.6	-68.4	-11.7	0	0	0	111.4	N44 A46 K64	N44-D67 PolarHBondContact ND2-O 3.23Å; A46-D67 HydrophobicContact CB-CB 3.61Å; K64-D67 IonicContact NZ-OD1 3.29Å; K64-D67 PolarHBondContact NZ-OD1 3.03Å
68	E	94.6	Very high	96.4	Very high	156 Å²	156	56.6 Å²	56.6	73%	0.729	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-7	177.1	-50.2	76.6	-168	0	0	113.7	P66 E70	P66-E68 PolarHBondContact O-N 2.77Å; E68-E70 PolarHBondContact O-N 3.32Å
69	D	93.8	Very high	96.2	Very high	43 Å²	43	55 Å²	55	23%	0.23	30%	0.301	C	S	.	.			trans	-76	111.9	-177.7	-173.5	-7.5	0	0	0	111.5	N44 T65 P66 T71	N44-D69 PolarHBondContact ND2-O 3.34Å; T65-D69 HydrophobicContact CG2-CB 4.4Å; T65-D69 WeakPolarHBondContact CG2-OD2 3.4Å; P66-D69 WeakPolarHBondContact O-CB 3.41Å; P66-D69 PolarHBondContact O-N 3.01Å; P66-D69 VanDerWaalsContact O-N 3.13Å; D69-T71 WeakPolarHBondContact OD1-CA 3.38Å; D69-T71 WeakPolarHBondContact OD1-CB 3.45Å; D69-T71 PolarHBondContact OD1-N 3.33Å; D69-T71 PolarHBondContact OD1-OG1 2.81Å
70	E	93.5	Very high	95.8	Very high	116 Å²	116	52.6 Å²	52.6	54%	0.542	30%	0.297	S	S	.	.			trans	-90.6	1.7	179.3	-49.7	-164.7	136.6	0	0	113.6	E68 K85 Q93	E68-E70 PolarHBondContact O-N 3.32Å; E70-K85 VanDerWaalsContact CD-NZ 3.35Å; E70-K85 IonicContact OE1-NZ 2.91Å; E70-K85 PolarHBondContact OE1-NZ 2.79Å; E70-K85 IonicContact OE2-NZ 2.72Å; E70-Q93 PolarHBondContact O-NE2 3.09Å
71	T	94.5	Very high	95.7	Very high	59 Å²	59	51 Å²	51	36%	0.362	29%	0.291	S	S	.	.			trans	-103.7	7.5	-173.5	80.3	0	0	0	0	114	D69 Y92 K385	D69-T71 WeakPolarHBondContact OD1-CA 3.38Å; D69-T71 WeakPolarHBondContact OD1-CB 3.45Å; D69-T71 PolarHBondContact OD1-N 3.33Å; D69-T71 PolarHBondContact OD1-OG1 2.81Å; T71-Y92 PolarHBondContact O-OH 3.37Å; T71-K385 PolarHBondContact O-NZ 3.41Å; T71-K385 PolarHBondContact OG1-NZ 3.22Å
72	S	96.3	Very high	95.6	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.294	C	S	.	.			trans	-63.5	150.8	179.1	60.7	0	0	0	0	112.1	T42 N44 L74 I75 Q93	T42-S72 WeakPolarHBondContact OG1-CA 3.1Å; N44-S72 VanDerWaalsContact CB-OG 3.32Å; N44-S72 WeakPolarHBondContact CB-OG 3.28Å; S72-L74 PolarHBondContact OG-O 3.22Å; S72-I75 WeakPolarHBondContact OG-CG1 3.46Å; S72-Q93 WeakPolarHBondContact O-CG 3.39Å; S72-Q93 PolarHBondContact O-NE2 2.93Å
73	N	97.1	Very high	95.5	Very high	4 Å²	4	58.8 Å²	58.8	2%	0.021	31%	0.312	C	S	.	.	S	Bend	trans	-71.9	-38.7	178.2	-62.9	95.9	0	0	0	112	I41 T42 Q93 R94 I380	I41-N73 HydrophobicContact CG2-CB 3.71Å; T42-N73 PolarHBondContact N-OD1 2.71Å; T42-N73 WeakPolarHBondContact O-CA 3.49Å; T42-N73 WeakPolarHBondContact O-CB 3.32Å; T42-N73 PolarHBondContact O-N 3.35Å; T42-N73 PolarHBondContact OG1-N 3.15Å; T42-N73 PolarHBondContact OG1-OD1 3.2Å; N73-Q93 CarbonylContact O-C 3.58Å; N73-Q93 WeakPolarHBondContact O-CA 3.47Å; N73-R94 PolarHBondContact O-N 3.47Å; N73-I380 HydrophobicContact CB-CG2 3.9Å
74	L	98.3	Very high	95.3	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	129.8	178	174.8	65.1	0	0	0	109.2	T42 A43 N44 I57 F62 S72 R94 F330 L375 I380	T42-L74 PolarHBondContact O-N 3.24Å; T42-L74 VanDerWaalsContact O-N 3.08Å; A43-L74 CarbonylContact C-O 3.56Å; A43-L74 VanDerWaalsContact CA-O 3.24Å; A43-L74 WeakPolarHBondContact CA-O 3.47Å; A43-L74 HydrophobicContact CB-CB 4.09Å; A43-L74 HydrophobicContact CB-CD2 4.29Å; A43-L74 HydrophobicContact CB-CG 4.46Å; N44-L74 PolarHBondContact N-O 2.91Å; I57-L74 HydrophobicContact CD1-CD2 3.9Å; I57-L74 HydrophobicContact CG1-CD2 4.02Å; F62-L74 HydrophobicContact CD1-CB 4.08Å; F62-L74 HydrophobicContact CD1-CD2 4.23Å; F62-L74 HydrophobicContact CE1-CB 3.83Å; F62-L74 HydrophobicContact CE1-CD2 4.05Å; S72-L74 PolarHBondContact OG-O 3.22Å; L74-R94 WeakPolarHBondContact CA-O 3.42Å; L74-R94 HydrophobicContact CD1-CB 4.45Å; L74-F330 HydrophobicContact CD1-CE1 3.7Å; L74-F330 HydrophobicContact CD1-CZ 3.78Å; L74-L375 HydrophobicContact CD1-CD2 4.43Å; L74-L375 HydrophobicContact CD2-CD1 4.39Å; L74-L375 HydrophobicContact CD2-CD2 3.85Å; L74-I380 HydrophobicContact CB-CD1 4.15Å; L74-I380 HydrophobicContact CD1-CD1 4.23Å
75	I	98.4	Very high	95.2	Very high	14 Å²	14	56.3 Å²	56.3	7%	0.072	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	123.8	171.3	-60.6	165	0	0	0	107	N44 S72 L89 R94 I95	N44-I75 HydrophobicContact CB-CG1 4.49Å; S72-I75 WeakPolarHBondContact OG-CG1 3.46Å; I75-L89 HydrophobicContact CD1-CD2 3.46Å; I75-L89 VanDerWaalsContact CD1-CD2 3.46Å; I75-R94 PolarHBondContact N-O 3.13Å; I75-I95 HydrophobicContact CB-CD1 4.35Å; I75-I95 HydrophobicContact CB-CG1 4.18Å; I75-I95 HydrophobicContact CG2-CD1 4.01Å; I75-I95 HydrophobicContact CG2-CG1 4.19Å; I75-I95 WeakPolarHBondContact O-CA 3.35Å
76	W	98.4	Very high	95.1	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.015	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	123.5	178	-167.7	-69.9	0	0	0	111.5	N44 G47 V53 I57 D78 N96 F330 F356 L371 L375	N44-W76 PolarHBondContact O-N 3.23Å; G47-W76 CarbonylContact C-O 3.49Å; G47-W76 WeakPolarHBondContact CA-O 3.49Å; V53-W76 HydrophobicContact CG1-CD2 3.66Å; V53-W76 HydrophobicContact CG1-CE3 4.35Å; V53-W76 HydrophobicContact CG1-CG 3.72Å; V53-W76 HydrophobicContact CG1-CZ2 4.3Å; V53-W76 HydrophobicContact CG2-CZ2 4.11Å; I57-W76 HydrophobicContact CD1-CB 4.37Å; W76-D78 PolarHBondContact NE1-OD1 3.14Å; W76-N96 HydrophobicContact CD2-CB 4.21Å; W76-N96 HydrophobicContact CE3-CB 3.99Å; W76-N96 HydrophobicContact CZ3-CB 4.17Å; W76-F330 HydrophobicContact CE3-CZ 4.22Å; W76-F330 AromaticContact CZ3-CE2 3.95Å; W76-F330 HydrophobicContact CZ3-CE2 3.95Å; W76-F330 AromaticContact CZ3-CZ 3.99Å; W76-F330 HydrophobicContact CZ3-CZ 3.99Å; W76-F356 HydrophobicContact CZ2-CE2 4.12Å; W76-L371 HydrophobicContact CH2-CD2 3.28Å; W76-L371 HydrophobicContact CZ2-CD2 3.62Å; W76-L371 HydrophobicContact CZ3-CD2 4.22Å; W76-L375 HydrophobicContact CZ3-CD2 4.49Å
77	C	97.4	Very high	95	Very high	27 Å²	27	54.5 Å²	54.5	18%	0.182	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	138	173.5	-61.4	0	0	0	0	110.1	G47 V81 N96 H97	G47-C77 CarbonylContact O-C 3.43Å; G47-C77 WeakPolarHBondContact O-CA 3.32Å; C77-V81 HydrophobicContact CB-CG2 3.76Å; C77-N96 PolarHBondContact N-OD1 2.85Å; C77-N96 PolarHBondContact O-ND2 2.68Å; C77-N96 PolarHBondContact O-OD1 3.04Å; C77-H97 PolarHBondContact O-NE2 3.35Å
78	D	96.1	Very high	95	Very high	24 Å²	24	56.3 Å²	56.3	13%	0.128	30%	0.295	C	S	.	.	S	Bend	trans	-76.4	-35.4	176.7	-68.1	-17	0	0	0	112.1	G47 T48 K49 F50 W76 A353	G47-D78 PolarHBondContact O-N 2.69Å; T48-D78 WeakPolarHBondContact CA-OD1 3.43Å; T48-D78 WeakPolarHBondContact CA-OD2 3.4Å; T48-D78 VanDerWaalsContact CB-OD1 3.28Å; T48-D78 WeakPolarHBondContact CB-OD1 3.36Å; T48-D78 PolarHBondContact OG1-OD1 3.16Å; T48-D78 PolarHBondContact OG1-OD2 2.86Å; K49-D78 WeakPolarHBondContact CG-OD2 3.49Å; K49-D78 PolarHBondContact N-OD2 2.82Å; F50-D78 WeakPolarHBondContact CD2-OD1 3.13Å; F50-D78 VanDerWaalsContact CD2-OD2 3.28Å; F50-D78 WeakPolarHBondContact CD2-OD2 3.43Å; F50-D78 HydrophobicContact CE2-CB 4.22Å; F50-D78 WeakPolarHBondContact CE2-OD2 3.32Å; W76-D78 PolarHBondContact NE1-OD1 3.14Å; D78-A353 WeakPolarHBondContact O-CB 3.49Å
79	S	92.3	Very high	95	Very high	82 Å²	82	49.4 Å²	49.4	57%	0.573	26%	0.264	S	S	*	.	S	Bend	trans	-93.3	158.7	179.3	59.2	0	0	0	0	111.8	V81 H97	S79-V81 PolarHBondContact O-N 3.32Å; S79-H97 PolarHBondContact O-CD2 3.46Å; S79-H97 PolarHBondContact O-NE2 3.02Å
80	A	89.9	Confident	94.9	Very high	44 Å²	44	50.5 Å²	50.5	36%	0.364	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-49.3	136.7	172.1	0	0	0	0	0	112	R352	A80-R352 VanDerWaalsContact CB-CZ 3.45Å
81	V	92.5	Very high	94.8	Very high	22 Å²	22	47.2 Å²	47.2	13%	0.133	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-96.1	141.9	-178.8	-179.4	0	0	0	0	109.9	C77 S79 K85 I86 I95 H97	C77-V81 HydrophobicContact CB-CG2 3.76Å; S79-V81 PolarHBondContact O-N 3.32Å; V81-K85 HydrophobicContact CG1-CB 3.71Å; V81-K85 HydrophobicContact CG1-CG 3.95Å; V81-I86 HydrophobicContact CG1-CG1 4.07Å; V81-I95 HydrophobicContact CB-CD1 4.37Å; V81-I95 HydrophobicContact CG1-CD1 3.88Å; V81-I95 HydrophobicContact CG2-CD1 3.99Å; V81-I95 HydrophobicContact CG2-CG1 4.48Å; V81-H97 HydrophobicContact CB-CB 4.48Å; V81-H97 HydrophobicContact CG2-CB 4.31Å
82	Q	93.6	Very high	94.7	Very high	138 Å²	138	44.6 Å²	44.6	65%	0.645	24%	0.237	S	C	*	.	P	Polyproline II helix	trans	-68	149.3	175.6	-60.9	-60.9	-15.9	0	0	111.2	E84 K85 I86	Q82-E84 VanDerWaalsContact C-N 3.26Å; Q82-E84 WeakPolarHBondContact CB-OE2 3.41Å; Q82-E84 PolarHBondContact O-N 2.85Å; Q82-K85 PolarHBondContact O-N 3.34Å; Q82-I86 PolarHBondContact O-N 2.86Å
83	Q	94.1	Very high	94.7	Very high	91 Å²	91	44.8 Å²	44.8	43%	0.425	24%	0.238	S	C	.	.	H	α-helix	trans	-65.9	-32.4	-174	-69.2	-172.5	22.4	0	0	112.2	K85 I86 S87 P99	Q83-K85 VanDerWaalsContact C-N 3.33Å; Q83-K85 PolarHBondContact O-N 3.28Å; Q83-I86 PolarHBondContact O-N 2.85Å; Q83-S87 PolarHBondContact O-N 3.4Å; Q83-S87 PolarHBondContact O-OG 3.07Å; Q83-P99 HydrophobicContact CG-CB 4.07Å
84	E	94.5	Very high	94.7	Very high	120 Å²	120	45.2 Å²	45.2	56%	0.561	24%	0.239	S	C	*	.	H	α-helix	trans	-59.6	-45.7	177.5	-61.1	69.4	-149.9	0	0	110	Q82 I86 S87 E88	Q82-E84 VanDerWaalsContact C-N 3.26Å; Q82-E84 WeakPolarHBondContact CB-OE2 3.41Å; Q82-E84 PolarHBondContact O-N 2.85Å; E84-I86 VanDerWaalsContact C-N 3.3Å; E84-I86 PolarHBondContact O-N 3.41Å; E84-S87 WeakPolarHBondContact O-CA 3.44Å; E84-S87 VanDerWaalsContact O-CB 3.3Å; E84-S87 WeakPolarHBondContact O-CB 3.48Å; E84-S87 PolarHBondContact O-N 2.66Å; E84-E88 WeakPolarHBondContact O-CG 3.37Å; E84-E88 PolarHBondContact O-N 3.43Å; E84-E88 VanDerWaalsContact O-N 3.1Å
85	K	94.4	Very high	94.7	Very high	63 Å²	63	45.2 Å²	45.2	27%	0.274	24%	0.239	S	C	.	.	H	α-helix	trans	-62.9	-36.8	178.5	-169.9	55.8	168.3	-175.2	0	112.6	E70 V81 Q82 Q83 S87 E88 L89	E70-K85 VanDerWaalsContact CD-NZ 3.35Å; E70-K85 IonicContact OE1-NZ 2.91Å; E70-K85 PolarHBondContact OE1-NZ 2.79Å; E70-K85 IonicContact OE2-NZ 2.72Å; V81-K85 HydrophobicContact CG1-CB 3.71Å; V81-K85 HydrophobicContact CG1-CG 3.95Å; Q82-K85 PolarHBondContact O-N 3.34Å; Q83-K85 VanDerWaalsContact C-N 3.33Å; Q83-K85 PolarHBondContact O-N 3.28Å; K85-S87 VanDerWaalsContact C-N 3.28Å; K85-E88 VanDerWaalsContact CD-OE2 3.29Å; K85-E88 WeakPolarHBondContact CD-OE2 3.46Å; K85-E88 IonicContact NZ-OE2 3.09Å; K85-E88 PolarHBondContact NZ-OE2 2.89Å; K85-E88 PolarHBondContact O-N 3.36Å; K85-L89 WeakPolarHBondContact O-CG 3.39Å
86	I	95.6	Very high	94.7	Very high	1 Å²	1	45 Å²	45	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-69	-32.2	176	-61.9	175.2	0	0	0	110.7	V81 Q82 Q83 E84 L89 I95 P99 C317 R318	V81-I86 HydrophobicContact CG1-CG1 4.07Å; Q82-I86 PolarHBondContact O-N 2.86Å; Q83-I86 PolarHBondContact O-N 2.85Å; E84-I86 VanDerWaalsContact C-N 3.3Å; E84-I86 PolarHBondContact O-N 3.41Å; I86-L89 PolarHBondContact O-N 3.07Å; I86-I95 HydrophobicContact CG1-CG2 4.5Å; I86-P99 HydrophobicContact CD1-CB 4.02Å; I86-P99 HydrophobicContact CD1-CG 4.22Å; I86-C317 HydrophobicContact CB-CB 4.47Å; I86-C317 HydrophobicContact CG2-CB 4.07Å; I86-R318 WeakPolarHBondContact O-CD 3.42Å; I86-R318 PolarHBondContact O-NH1 2.84Å
87	S	95.1	Very high	94.7	Very high	56 Å²	56	45 Å²	45	39%	0.392	24%	0.238	S	C	.	.	H	α-helix	trans	-69.7	-34.2	178.9	-53	0	0	0	0	112.5	Q83 E84 K85 L89 C317 R318	Q83-S87 PolarHBondContact O-N 3.4Å; Q83-S87 PolarHBondContact O-OG 3.07Å; E84-S87 WeakPolarHBondContact O-CA 3.44Å; E84-S87 VanDerWaalsContact O-CB 3.3Å; E84-S87 WeakPolarHBondContact O-CB 3.48Å; E84-S87 PolarHBondContact O-N 2.66Å; K85-S87 VanDerWaalsContact C-N 3.28Å; S87-L89 VanDerWaalsContact C-N 3.27Å; S87-L89 PolarHBondContact O-N 3.16Å; S87-C317 WeakPolarHBondContact CA-O 3.48Å; S87-C317 WeakPolarHBondContact CB-O 3.45Å; S87-C317 WeakPolarHBondContact OG-CA 3.43Å; S87-C317 WeakPolarHBondContact OG-CB 3.4Å; S87-C317 PolarHBondContact OG-O 2.98Å; S87-R318 PolarHBondContact O-NH1 3.21Å; S87-R318 VanDerWaalsContact O-NH1 3.08Å
88	E	94.5	Very high	94.7	Very high	118 Å²	118	43.7 Å²	43.7	55%	0.551	23%	0.23	S	C	*	.	H	α-helix	trans	-69.4	-18.8	177.7	-69.2	165.4	-175.7	0	0	114.3	E84 K85	E84-E88 WeakPolarHBondContact O-CG 3.37Å; E84-E88 PolarHBondContact O-N 3.43Å; E84-E88 VanDerWaalsContact O-N 3.1Å; K85-E88 VanDerWaalsContact CD-OE2 3.29Å; K85-E88 WeakPolarHBondContact CD-OE2 3.46Å; K85-E88 IonicContact NZ-OE2 3.09Å; K85-E88 PolarHBondContact NZ-OE2 2.89Å; K85-E88 PolarHBondContact O-N 3.36Å
89	L	94.3	Very high	94.8	Very high	12 Å²	12	42.8 Å²	42.8	6%	0.063	23%	0.225	C	C	.	.			trans	-62.9	151.9	-173.7	-60.4	178.8	0	0	0	113.1	I75 K85 I86 S87 I95 R318 V328	I75-L89 HydrophobicContact CD1-CD2 3.46Å; I75-L89 VanDerWaalsContact CD1-CD2 3.46Å; K85-L89 WeakPolarHBondContact O-CG 3.39Å; I86-L89 PolarHBondContact O-N 3.07Å; S87-L89 VanDerWaalsContact C-N 3.27Å; S87-L89 PolarHBondContact O-N 3.16Å; L89-I95 HydrophobicContact CD1-CB 3.87Å; L89-I95 HydrophobicContact CD1-CD1 4.31Å; L89-I95 HydrophobicContact CD1-CG2 3.55Å; L89-R318 PolarHBondContact O-NH1 3.02Å; L89-R318 PolarHBondContact O-NH2 2.62Å; L89-V328 HydrophobicContact CB-CG1 3.87Å; L89-V328 HydrophobicContact CD1-CG1 3.42Å; L89-V328 VanDerWaalsContact CD1-CG1 3.42Å; L89-V328 HydrophobicContact CG-CG1 4.29Å
90	Q	92.4	Very high	94.9	Very high	65 Å²	65	39.9 Å²	39.9	30%	0.304	21%	0.208	S	C	.	.			trans	-92	155	167.9	-61.8	-173.7	53.8	0	0	110.7	Y92 Q93	Q90-Y92 HydrophobicContact CB-CD1 3.66Å; Q90-Y92 HydrophobicContact CB-CE1 3.4Å; Q90-Y92 HydrophobicContact CG-CE1 4.08Å; Q90-Y92 PolarHBondContact O-N 2.7Å; Q90-Q93 HydrophobicContact CB-CG 4.26Å; Q90-Q93 WeakPolarHBondContact O-CB 3.35Å; Q90-Q93 PolarHBondContact O-N 3.22Å
91	N	91.3	Very high	95.3	Very high	47 Å²	47	37.9 Å²	37.9	25%	0.251	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-12	-170.2	-45.1	-4.7	0	0	0	113.9	R94 R318 Q321 N388	N91-R94 PolarHBondContact O-NH1 3.04Å; N91-R318 PolarHBondContact OD1-NH2 3.1Å; N91-R318 VanDerWaalsContact OD1-NH2 3.12Å; N91-Q321 PolarHBondContact ND2-NE2 2.83Å; N91-Q321 PolarHBondContact ND2-OE1 2.88Å; N91-Q321 PolarHBondContact OD1-NE2 3.07Å; N91-N388 WeakPolarHBondContact CB-ND2 3.38Å
92	Y	92.6	Very high	95.4	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.016	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-14.8	173.1	72	-94.9	0	0	0	113.4	T71 Q90 K385 N388	T71-Y92 PolarHBondContact O-OH 3.37Å; Q90-Y92 HydrophobicContact CB-CD1 3.66Å; Q90-Y92 HydrophobicContact CB-CE1 3.4Å; Q90-Y92 HydrophobicContact CG-CE1 4.08Å; Q90-Y92 PolarHBondContact O-N 2.7Å; Y92-K385 HydrophobicContact CD1-CB 4.26Å; Y92-K385 HydrophobicContact CD1-CG 4.06Å; Y92-K385 HydrophobicContact CD2-CB 3.83Å; Y92-K385 HydrophobicContact CD2-CD 4.29Å; Y92-K385 HydrophobicContact CD2-CG 4.06Å; Y92-K385 HydrophobicContact CE1-CD 4.28Å; Y92-K385 HydrophobicContact CE1-CG 3.85Å; Y92-K385 HydrophobicContact CE2-CB 4.11Å; Y92-K385 HydrophobicContact CE2-CD 3.68Å; Y92-K385 HydrophobicContact CE2-CG 3.86Å; Y92-K385 HydrophobicContact CG-CB 3.92Å; Y92-K385 HydrophobicContact CG-CG 4.17Å; Y92-K385 VanDerWaalsContact OH-CE 3.27Å; Y92-K385 WeakPolarHBondContact OH-CE 3.33Å; Y92-K385 PolarHBondContact OH-NZ 3.05Å; Y92-N388 HydrophobicContact CD1-CB 4.16Å
93	Q	95.9	Very high	95.5	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.019	17%	0.171	C	C	.	.			trans	-82.8	154.1	-177.3	-58.1	-174.6	-92.9	0	0	110.5	E70 S72 N73 Q90	E70-Q93 PolarHBondContact O-NE2 3.09Å; S72-Q93 WeakPolarHBondContact O-CG 3.39Å; S72-Q93 PolarHBondContact O-NE2 2.93Å; N73-Q93 CarbonylContact O-C 3.58Å; N73-Q93 WeakPolarHBondContact O-CA 3.47Å; Q90-Q93 HydrophobicContact CB-CG 4.26Å; Q90-Q93 WeakPolarHBondContact O-CB 3.35Å; Q90-Q93 PolarHBondContact O-N 3.22Å
94	R	97.9	Very high	95.6	Very high	13 Å²	13	28.5 Å²	28.5	5%	0.049	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	133.7	175.7	-60.4	-65.1	177	-95.1	2.6	109.5	N73 L74 I75 N91 E326 S327 V328 F330 I380	N73-R94 PolarHBondContact O-N 3.47Å; L74-R94 WeakPolarHBondContact CA-O 3.42Å; L74-R94 HydrophobicContact CD1-CB 4.45Å; I75-R94 PolarHBondContact N-O 3.13Å; N91-R94 PolarHBondContact O-NH1 3.04Å; R94-E326 IonicContact NH2-OE2 2.84Å; R94-E326 PolarHBondContact NH2-OE2 2.86Å; R94-S327 VanDerWaalsContact CD-O 3.26Å; R94-S327 WeakPolarHBondContact CD-O 3.36Å; R94-S327 PolarHBondContact NE-O 3.13Å; R94-S327 VanDerWaalsContact NE-O 3.14Å; R94-V328 CarbonylContact C-O 3.53Å; R94-V328 VanDerWaalsContact CA-O 3.25Å; R94-V328 WeakPolarHBondContact CA-O 3.2Å; R94-F330 HydrophobicContact CB-CD1 4.24Å; R94-F330 HydrophobicContact CB-CE1 4.12Å; R94-I380 HydrophobicContact CB-CD1 4.01Å; R94-I380 HydrophobicContact CG-CD1 3.89Å; R94-I380 HydrophobicContact CG-CG1 4.05Å
95	I	98.2	Very high	95.7	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	144.4	175.5	-164.1	162.6	0	0	0	110.3	I75 V81 I86 L89 H97 V328 C329 F330	I75-I95 HydrophobicContact CB-CD1 4.35Å; I75-I95 HydrophobicContact CB-CG1 4.18Å; I75-I95 HydrophobicContact CG2-CD1 4.01Å; I75-I95 HydrophobicContact CG2-CG1 4.19Å; I75-I95 WeakPolarHBondContact O-CA 3.35Å; V81-I95 HydrophobicContact CB-CD1 4.37Å; V81-I95 HydrophobicContact CG1-CD1 3.88Å; V81-I95 HydrophobicContact CG2-CD1 3.99Å; V81-I95 HydrophobicContact CG2-CG1 4.48Å; I86-I95 HydrophobicContact CG1-CG2 4.5Å; L89-I95 HydrophobicContact CD1-CB 3.87Å; L89-I95 HydrophobicContact CD1-CD1 4.31Å; L89-I95 HydrophobicContact CD1-CG2 3.55Å; I95-H97 PolarHBondContact O-N 2.84Å; I95-V328 PolarHBondContact N-O 3.31Å; I95-C329 WeakPolarHBondContact O-CA 3.44Å; I95-F330 WeakPolarHBondContact O-CD1 3.47Å; I95-F330 PolarHBondContact O-N 3.3Å
96	N	98.3	Very high	95.6	Very high	9 Å²	9	25.5 Å²	25.5	5%	0.048	14%	0.136	C	C	.	.	S	Bend	trans	-84.9	23.1	-170.4	73.4	-49.9	0	0	0	115	W76 C77 F330	W76-N96 HydrophobicContact CD2-CB 4.21Å; W76-N96 HydrophobicContact CE3-CB 3.99Å; W76-N96 HydrophobicContact CZ3-CB 4.17Å; C77-N96 PolarHBondContact N-OD1 2.85Å; C77-N96 PolarHBondContact O-ND2 2.68Å; C77-N96 PolarHBondContact O-OD1 3.04Å; N96-F330 CarbonylContact C-O 3.57Å; N96-F330 WeakPolarHBondContact CA-O 3.39Å; N96-F330 HydrophobicContact CB-CD2 4.37Å; N96-F330 HydrophobicContact CB-CE1 4Å; N96-F330 HydrophobicContact CB-CE2 3.65Å; N96-F330 HydrophobicContact CB-CZ 3.44Å; N96-F330 VanDerWaalsContact CB-CZ 3.44Å; N96-F330 VanDerWaalsContact O-O 3.1Å
97	H	98.3	Very high	95.5	Very high	3 Å²	3	26.8 Å²	26.8	1%	0.014	14%	0.141	C	C	.	.			trans	-141.5	141.7	174	-72.2	-66.8	0	0	0	113.2	C77 S79 V81 I95 C329 F330 E331 R352	C77-H97 PolarHBondContact O-NE2 3.35Å; S79-H97 PolarHBondContact O-CD2 3.46Å; S79-H97 PolarHBondContact O-NE2 3.02Å; V81-H97 HydrophobicContact CB-CB 4.48Å; V81-H97 HydrophobicContact CG2-CB 4.31Å; I95-H97 PolarHBondContact O-N 2.84Å; H97-C329 WeakPolarHBondContact O-CB 3.37Å; H97-C329 PolarHBondContact O-SG 3.4Å; H97-C329 VanDerWaalsContact O-SG 3.33Å; H97-F330 PolarHBondContact N-O 3.27Å; H97-E331 IonicContact CE1-OE1 2.93Å; H97-E331 IonicContact CG-OE1 3.36Å; H97-E331 IonicContact ND1-OE1 3.91Å; H97-E331 PolarHBondContact ND1-OE1 3.4Å; H97-R352 PolarHBondContact CE1-O 3.25Å
98	F	98.1	Very high	95.4	Very high	1 Å²	1	25.1 Å²	25.1	0%	0.004	13%	0.128	C	C	.	.			trans	-88.5	144.9	164.5	-75.8	-87	0	0	0	111.9	M101 V210 C213 V310 Y314 C329 E331 R352	F98-M101 HydrophobicContact CB-CB 4.47Å; F98-M101 HydrophobicContact CB-CE 3.88Å; F98-M101 HydrophobicContact CD2-CE 4Å; F98-M101 HydrophobicContact CG-CE 4.18Å; F98-V210 HydrophobicContact CD2-CG1 4.36Å; F98-V210 HydrophobicContact CE2-CB 3.95Å; F98-V210 HydrophobicContact CE2-CG1 3.66Å; F98-V210 HydrophobicContact CZ-CG1 4.1Å; F98-C213 HydrophobicContact CD1-CB 4.45Å; F98-C213 HydrophobicContact CE1-CB 4.04Å; F98-V310 HydrophobicContact CB-CG1 3.85Å; F98-V310 HydrophobicContact CD1-CG1 3.74Å; F98-V310 HydrophobicContact CG-CG1 3.95Å; F98-Y314 HydrophobicContact CD1-CD2 4.45Å; F98-C329 HydrophobicContact CD1-CB 3.47Å; F98-C329 VanDerWaalsContact CD1-CB 3.47Å; F98-C329 HydrophobicContact CD2-CB 4.24Å; F98-C329 HydrophobicContact CE1-CB 3.51Å; F98-C329 HydrophobicContact CE2-CB 4.26Å; F98-C329 HydrophobicContact CG-CB 3.85Å; F98-C329 HydrophobicContact CZ-CB 3.9Å; F98-C329 WeakPolarHBondContact CZ-O 3.45Å; F98-E331 WeakPolarHBondContact CB-OE2 3.23Å; F98-E331 HydrophobicContact CD2-CB 3.77Å; F98-E331 HydrophobicContact CE2-CB 4.28Å; F98-E331 PolarHBondContact N-OE2 3.17Å; F98-R352 PolarHBondContact O-NH2 2.88Å; F98-R352 VanDerWaalsContact O-NH2 3.1Å
99	P	97.1	Very high	95.4	Very high	4 Å²	4	21.7 Å²	21.7	3%	0.026	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	146.8	164.3	32.7	-32.4	0	0	0	109.5	Q83 I86 M101 A313 Y314	Q83-P99 HydrophobicContact CG-CB 4.07Å; I86-P99 HydrophobicContact CD1-CB 4.02Å; I86-P99 HydrophobicContact CD1-CG 4.22Å; P99-M101 VanDerWaalsContact C-N 3.28Å; P99-M101 PolarHBondContact O-N 3.14Å; P99-A313 HydrophobicContact CB-CB 3.95Å; P99-A313 HydrophobicContact CG-CB 4.17Å; P99-Y314 HydrophobicContact CG-CD2 4.49Å
100	G	94.8	Very high	95.5	Very high	21 Å²	21	21.7 Å²	21.7	22%	0.216	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	81	-9.5	178.6	0	0	0	0	0	116.1	G102 E103	G100-G102 PolarHBondContact O-N 2.75Å; G100-E103 WeakPolarHBondContact O-CB 3.43Å; G100-E103 WeakPolarHBondContact O-CG 3.35Å; G100-E103 PolarHBondContact O-N 3.09Å; G100-E103 VanDerWaalsContact O-N 3.09Å
101	M	97.1	Very high	95.7	Very high	3 Å²	3	18.8 Å²	18.8	2%	0.015	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-19.2	179.3	-162.6	61	68.4	0	0	113.7	F98 P99 E103 I104 C105 L303 A306 V310 E331 L333	F98-M101 HydrophobicContact CB-CB 4.47Å; F98-M101 HydrophobicContact CB-CE 3.88Å; F98-M101 HydrophobicContact CD2-CE 4Å; F98-M101 HydrophobicContact CG-CE 4.18Å; P99-M101 VanDerWaalsContact C-N 3.28Å; P99-M101 PolarHBondContact O-N 3.14Å; M101-E103 PolarHBondContact O-N 3.45Å; M101-I104 WeakPolarHBondContact O-CG1 3.24Å; M101-I104 PolarHBondContact O-N 2.96Å; M101-I104 HydrophobicContact SD-CD1 3.75Å; M101-I104 HydrophobicContact SD-CG1 3.95Å; M101-C105 PolarHBondContact O-N 3.39Å; M101-C105 PolarHBondContact O-SG 3.07Å; M101-C105 VanDerWaalsContact O-SG 3.38Å; M101-L303 HydrophobicContact SD-CD2 4.26Å; M101-A306 HydrophobicContact SD-CB 4.49Å; M101-V310 HydrophobicContact CE-CG1 4.43Å; M101-V310 HydrophobicContact CE-CG2 3.82Å; M101-V310 HydrophobicContact SD-CG2 4.14Å; M101-E331 WeakPolarHBondContact CB-OE2 3.24Å; M101-E331 WeakPolarHBondContact CE-OE2 3.48Å; M101-E331 VanDerWaalsContact CG-OE2 3.32Å; M101-E331 WeakPolarHBondContact CG-OE2 3.33Å; M101-L333 HydrophobicContact CG-CD2 4.07Å; M101-L333 HydrophobicContact SD-CD1 4.13Å
102	G	95.1	Very high	95.9	Very high	17 Å²	17	21 Å²	21	18%	0.175	10%	0.103	C	C	.	.	H	α-helix	trans	-55.8	-21.1	172.8	0	0	0	0	0	114.7	G100 I104 C105 R106	G100-G102 PolarHBondContact O-N 2.75Å; G102-I104 PolarHBondContact O-N 2.8Å; G102-C105 PolarHBondContact O-N 3.31Å; G102-R106 PolarHBondContact O-N 2.76Å
103	E	95.6	Very high	96.1	Very high	37 Å²	37	21.1 Å²	21.1	17%	0.173	10%	0.104	C	C	.	.	H	α-helix	trans	-66.3	-18.2	178.1	-71	-69	158.1	0	0	114.3	G100 M101 F109 L110 R112 N113 H309	G100-E103 WeakPolarHBondContact O-CB 3.43Å; G100-E103 WeakPolarHBondContact O-CG 3.35Å; G100-E103 PolarHBondContact O-N 3.09Å; G100-E103 VanDerWaalsContact O-N 3.09Å; M101-E103 PolarHBondContact O-N 3.45Å; E103-F109 CarbonylContact O-C 3.6Å; E103-F109 VanDerWaalsContact O-C 3.29Å; E103-L110 PolarHBondContact O-N 2.92Å; E103-R112 IonicContact OE2-NH2 3.82Å; E103-R112 PolarHBondContact OE2-NH2 3.32Å; E103-N113 PolarHBondContact O-ND2 2.87Å; E103-N113 PolarHBondContact OE2-ND2 3.18Å; E103-H309 HydrophobicContact CB-CB 4.14Å; E103-H309 HydrophobicContact CG-CB 3.8Å; E103-H309 IonicContact OE2-CE1 3.73Å; E103-H309 IonicContact OE2-ND1 2.82Å
104	I	97.1	Very high	96.2	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-120	-13.7	171.2	58.6	161.2	0	0	0	113.4	M101 G102 L110 T302 L303 A306 I350	M101-I104 WeakPolarHBondContact O-CG1 3.24Å; M101-I104 PolarHBondContact O-N 2.96Å; M101-I104 HydrophobicContact SD-CD1 3.75Å; M101-I104 HydrophobicContact SD-CG1 3.95Å; G102-I104 PolarHBondContact O-N 2.8Å; I104-L110 HydrophobicContact CB-CD1 4.07Å; I104-L110 HydrophobicContact CG2-CD1 4.16Å; I104-T302 HydrophobicContact CD1-CG2 4.45Å; I104-L303 HydrophobicContact CD1-CD2 3.82Å; I104-A306 HydrophobicContact CB-CB 4.33Å; I104-A306 HydrophobicContact CD1-CB 3.63Å; I104-A306 HydrophobicContact CG1-CB 3.76Å; I104-A306 HydrophobicContact CG2-CB 3.66Å; I104-I350 HydrophobicContact CB-CD1 3.86Å; I104-I350 HydrophobicContact CD1-CD1 3.72Å; I104-I350 HydrophobicContact CG1-CD1 4.09Å
105	C	95.3	Very high	96.1	Very high	23 Å²	23	22.2 Å²	22.2	16%	0.155	11%	0.112	C	C	.	.	H	α-helix	trans	-90.3	-21.9	179.4	-62.8	0	0	0	0	114.2	M101 G102 I350 R352	M101-C105 PolarHBondContact O-N 3.39Å; M101-C105 PolarHBondContact O-SG 3.07Å; M101-C105 VanDerWaalsContact O-SG 3.38Å; G102-C105 PolarHBondContact O-N 3.31Å; C105-I350 WeakPolarHBondContact CA-O 3.32Å; C105-I350 WeakPolarHBondContact CB-O 3.4Å; C105-R352 HydrophobicContact CB-CB 4.13Å; C105-R352 HydrophobicContact CB-CG 4.18Å
106	R	93.5	Very high	95.9	Very high	97 Å²	97	26.5 Å²	26.5	37%	0.366	13%	0.131	S	C	.	.	S	Bend	trans	-86.5	136.3	168.3	-71.8	177.8	51.8	161.7	-3	110.1	G102 D108 F109 L110	G102-R106 PolarHBondContact O-N 2.76Å; R106-D108 VanDerWaalsContact CB-OD1 3.27Å; R106-D108 WeakPolarHBondContact CB-OD1 3.16Å; R106-D108 IonicContact CZ-OD1 3.68Å; R106-D108 IonicContact CZ-OD2 3.09Å; R106-D108 IonicContact NE-OD1 3Å; R106-D108 PolarHBondContact NE-OD1 2.96Å; R106-D108 IonicContact NE-OD2 2.77Å; R106-D108 IonicContact NH2-OD1 3.62Å; R106-D108 IonicContact NH2-OD2 2.61Å; R106-D108 PolarHBondContact NH2-OD2 2.95Å; R106-D108 PolarHBondContact O-N 2.96Å; R106-F109 HydrophobicContact CB-CB 4.23Å; R106-F109 HydrophobicContact CB-CG 4.36Å; R106-F109 PolarHBondContact O-N 3.5Å; R106-L110 VanDerWaalsContact O-CB 3.29Å; R106-L110 WeakPolarHBondContact O-CB 3.42Å; R106-L110 PolarHBondContact O-N 2.79Å
107	K	93.6	Very high	95.8	Very high	27 Å²	27	26.2 Å²	26.2	12%	0.117	13%	0.129	C	C	.	.	H	α-helix	trans	-62.4	-41.6	-173.1	-66.5	179.1	168.1	68.8	0	112.6	A111 K160 G164 I186 E349	K107-A111 WeakPolarHBondContact O-CB 3.33Å; K107-A111 PolarHBondContact O-N 3.07Å; K107-K160 HydrophobicContact CD-CB 4.41Å; K107-K160 HydrophobicContact CD-CD 4.5Å; K107-G164 PolarHBondContact NZ-O 3.42Å; K107-I186 HydrophobicContact CB-CD1 3.83Å; K107-I186 HydrophobicContact CB-CG1 4.46Å; K107-I186 HydrophobicContact CD-CD1 4.2Å; K107-I186 HydrophobicContact CG-CD1 4.47Å; K107-E349 WeakPolarHBondContact CE-OE2 3.46Å; K107-E349 IonicContact NZ-OE2 3.77Å; K107-E349 PolarHBondContact NZ-OE2 3.29Å
108	D	92.4	Very high	95.8	Very high	22 Å²	22	28.7 Å²	28.7	12%	0.118	14%	0.142	C	C	.	.	H	α-helix	trans	-66.5	-45.5	177.1	58.8	-22.3	0	0	0	112.1	R106 A111 R112 I133 A162 I186	R106-D108 VanDerWaalsContact CB-OD1 3.27Å; R106-D108 WeakPolarHBondContact CB-OD1 3.16Å; R106-D108 IonicContact CZ-OD1 3.68Å; R106-D108 IonicContact CZ-OD2 3.09Å; R106-D108 IonicContact NE-OD1 3Å; R106-D108 PolarHBondContact NE-OD1 2.96Å; R106-D108 IonicContact NE-OD2 2.77Å; R106-D108 IonicContact NH2-OD1 3.62Å; R106-D108 IonicContact NH2-OD2 2.61Å; R106-D108 PolarHBondContact NH2-OD2 2.95Å; R106-D108 PolarHBondContact O-N 2.96Å; D108-A111 PolarHBondContact O-N 3.1Å; D108-R112 WeakPolarHBondContact O-CB 3.42Å; D108-R112 PolarHBondContact O-N 2.99Å; D108-I133 HydrophobicContact CB-CG2 4.18Å; D108-I133 WeakPolarHBondContact O-CD1 3.5Å; D108-A162 HydrophobicContact CB-CB 4.35Å; D108-I186 HydrophobicContact CB-CG2 4.42Å
109	F	95.1	Very high	95.6	Very high	45 Å²	45	36.7 Å²	36.7	20%	0.197	18%	0.177	C	C	.	.	H	α-helix	trans	-68.1	-41.4	178.4	-70.7	4.7	0	0	0	111.8	E103 R106 A111 R112 N113	E103-F109 CarbonylContact O-C 3.6Å; E103-F109 VanDerWaalsContact O-C 3.29Å; R106-F109 HydrophobicContact CB-CB 4.23Å; R106-F109 HydrophobicContact CB-CG 4.36Å; R106-F109 PolarHBondContact O-N 3.5Å; F109-A111 PolarHBondContact O-N 3.11Å; F109-R112 VanDerWaalsContact CD1-NH2 3.25Å; F109-R112 PolarHBondContact O-N 3.48Å; F109-N113 WeakPolarHBondContact O-CB 3.48Å; F109-N113 VanDerWaalsContact O-CG 3.28Å; F109-N113 PolarHBondContact O-N 3.21Å; F109-N113 PolarHBondContact O-ND2 3.27Å
110	L	96.9	Very high	95.5	Very high	12 Å²	12	39.5 Å²	39.5	6%	0.063	20%	0.197	C	C	.	.	H	α-helix	trans	-56.6	-50.5	172.9	178.7	62.4	0	0	0	110.9	E103 I104 R106 R112 N113 M114 L347 I350	E103-L110 PolarHBondContact O-N 2.92Å; I104-L110 HydrophobicContact CB-CD1 4.07Å; I104-L110 HydrophobicContact CG2-CD1 4.16Å; R106-L110 VanDerWaalsContact O-CB 3.29Å; R106-L110 WeakPolarHBondContact O-CB 3.42Å; R106-L110 PolarHBondContact O-N 2.79Å; L110-R112 VanDerWaalsContact C-N 3.34Å; L110-R112 PolarHBondContact O-N 2.53Å; L110-N113 PolarHBondContact O-N 2.98Å; L110-M114 HydrophobicContact CD1-CE 3.76Å; L110-M114 HydrophobicContact CD1-CG 3.79Å; L110-M114 HydrophobicContact CG-CG 4.3Å; L110-M114 WeakPolarHBondContact O-CB 3.17Å; L110-M114 WeakPolarHBondContact O-CG 3.25Å; L110-M114 PolarHBondContact O-N 3.32Å; L110-L347 HydrophobicContact CD1-CD2 4.22Å; L110-L347 HydrophobicContact CD2-CD2 4.21Å; L110-I350 HydrophobicContact CD1-CD1 4.35Å
111	A	96.3	Very high	95.6	Very high	5 Å²	5	42.9 Å²	42.9	4%	0.041	20%	0.203	C	C	.	.	H	α-helix	trans	-59.5	-44.8	178.8	0	0	0	0	0	111.8	K107 D108 F109 T115 T131 I133	K107-A111 WeakPolarHBondContact O-CB 3.33Å; K107-A111 PolarHBondContact O-N 3.07Å; D108-A111 PolarHBondContact O-N 3.1Å; F109-A111 PolarHBondContact O-N 3.11Å; A111-T115 VanDerWaalsContact O-CB 3.26Å; A111-T115 WeakPolarHBondContact O-CB 3.33Å; A111-T115 PolarHBondContact O-N 2.73Å; A111-T115 PolarHBondContact O-OG1 3.42Å; A111-T131 HydrophobicContact CB-CG2 3.6Å; A111-I133 HydrophobicContact CB-CD1 4.1Å; A111-I133 HydrophobicContact CB-CG1 4.01Å
112	R	95.4	Very high	95.6	Very high	94 Å²	94	46.4 Å²	46.4	36%	0.355	23%	0.226	S	C	.	.	H	α-helix	trans	-62.8	-49	179.6	-175.4	177	63.1	-173.3	-3.4	111.8	E103 D108 F109 L110 T115 K116 I133	E103-R112 IonicContact OE2-NH2 3.82Å; E103-R112 PolarHBondContact OE2-NH2 3.32Å; D108-R112 WeakPolarHBondContact O-CB 3.42Å; D108-R112 PolarHBondContact O-N 2.99Å; F109-R112 VanDerWaalsContact CD1-NH2 3.25Å; F109-R112 PolarHBondContact O-N 3.48Å; L110-R112 VanDerWaalsContact C-N 3.34Å; L110-R112 PolarHBondContact O-N 2.53Å; R112-T115 PolarHBondContact O-N 3.13Å; R112-K116 WeakPolarHBondContact O-CG 3.48Å; R112-K116 PolarHBondContact O-N 2.91Å; R112-K116 VanDerWaalsContact O-N 3.16Å; R112-I133 HydrophobicContact CB-CD1 3.71Å
113	N	96.4	Very high	95.6	Very high	5 Å²	5	52.8 Å²	52.8	3%	0.027	26%	0.256	C	S	.	.	H	α-helix	trans	-71.8	-39.4	-176.4	-65.9	-28.6	0	0	0	111.4	E103 F109 L110 T115 K116 M117 V305	E103-N113 PolarHBondContact O-ND2 2.87Å; E103-N113 PolarHBondContact OE2-ND2 3.18Å; F109-N113 WeakPolarHBondContact O-CB 3.48Å; F109-N113 VanDerWaalsContact O-CG 3.28Å; F109-N113 PolarHBondContact O-N 3.21Å; F109-N113 PolarHBondContact O-ND2 3.27Å; L110-N113 PolarHBondContact O-N 2.98Å; N113-T115 VanDerWaalsContact C-N 3.34Å; N113-T115 PolarHBondContact O-N 2.93Å; N113-K116 PolarHBondContact O-N 2.81Å; N113-M117 PolarHBondContact O-N 2.92Å; N113-M117 VanDerWaalsContact O-N 3.09Å; N113-V305 HydrophobicContact CB-CG1 3.64Å
114	M	97.6	Very high	95.8	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-62.1	-41	171.5	-72.6	-66.1	-173	0	0	111.8	L110 K116 M117 I118 Y125 F127 V128 T302 V305 L347	L110-M114 HydrophobicContact CD1-CE 3.76Å; L110-M114 HydrophobicContact CD1-CG 3.79Å; L110-M114 HydrophobicContact CG-CG 4.3Å; L110-M114 WeakPolarHBondContact O-CB 3.17Å; L110-M114 WeakPolarHBondContact O-CG 3.25Å; L110-M114 PolarHBondContact O-N 3.32Å; M114-K116 VanDerWaalsContact C-N 3.31Å; M114-K116 PolarHBondContact O-N 3.13Å; M114-M117 PolarHBondContact O-N 3.04Å; M114-M117 VanDerWaalsContact O-N 3.17Å; M114-I118 HydrophobicContact CB-CD1 4.44Å; M114-I118 WeakPolarHBondContact O-CB 3.19Å; M114-I118 WeakPolarHBondContact O-CD1 3.45Å; M114-I118 WeakPolarHBondContact O-CG1 3.4Å; M114-I118 PolarHBondContact O-N 2.79Å; M114-Y125 HydrophobicContact SD-CD1 3.9Å; M114-Y125 HydrophobicContact SD-CE1 4.23Å; M114-F127 HydrophobicContact CE-CE2 4.04Å; M114-F127 HydrophobicContact CE-CZ 4.39Å; M114-V128 HydrophobicContact CB-CG1 4.3Å; M114-V128 HydrophobicContact CB-CG2 4.45Å; M114-V128 HydrophobicContact CE-CG2 4.05Å; M114-V128 HydrophobicContact CG-CG1 4.34Å; M114-V128 HydrophobicContact CG-CG2 4Å; M114-V128 HydrophobicContact SD-CG2 3.78Å; M114-T302 HydrophobicContact CE-CG2 3.69Å; M114-V305 HydrophobicContact CE-CG2 4.21Å; M114-V305 HydrophobicContact SD-CG2 3.94Å; M114-L347 HydrophobicContact CE-CD2 3.87Å
115	T	96.1	Very high	95.8	Very high	39 Å²	39	52.5 Å²	52.5	24%	0.239	26%	0.255	C	S	.	.	H	α-helix	trans	-60.7	-40.9	177.5	-65	0	0	0	0	111.9	A111 R112 N113 K119	A111-T115 VanDerWaalsContact O-CB 3.26Å; A111-T115 WeakPolarHBondContact O-CB 3.33Å; A111-T115 PolarHBondContact O-N 2.73Å; A111-T115 PolarHBondContact O-OG1 3.42Å; R112-T115 PolarHBondContact O-N 3.13Å; N113-T115 VanDerWaalsContact C-N 3.34Å; N113-T115 PolarHBondContact O-N 2.93Å; T115-K119 WeakPolarHBondContact O-CG 3.02Å; T115-K119 PolarHBondContact O-N 2.76Å; T115-K119 VanDerWaalsContact O-N 3.15Å
116	K	94.3	Very high	95.9	Very high	91 Å²	91	54.9 Å²	54.9	40%	0.396	27%	0.269	S	S	.	.	H	α-helix	trans	-63.1	-45.2	174.6	-66.2	174.8	-179.2	177.7	0	111.4	R112 N113 M114 K119 S120 T479	R112-K116 WeakPolarHBondContact O-CG 3.48Å; R112-K116 PolarHBondContact O-N 2.91Å; R112-K116 VanDerWaalsContact O-N 3.16Å; N113-K116 PolarHBondContact O-N 2.81Å; M114-K116 VanDerWaalsContact C-N 3.31Å; M114-K116 PolarHBondContact O-N 3.13Å; K116-K119 PolarHBondContact O-N 3.09Å; K116-S120 PolarHBondContact O-N 3.06Å; K116-T479 HydrophobicContact CB-CG2 3.54Å; K116-T479 HydrophobicContact CD-CG2 4.09Å; K116-T479 HydrophobicContact CG-CG2 4.37Å
117	M	96.3	Very high	96.2	Very high	3 Å²	3	50.7 Å²	50.7	2%	0.015	25%	0.253	C	S	.	.	H	α-helix	trans	-67.1	-39.2	178.7	-73.7	-59.4	-67.5	0	0	113.1	N113 M114 K119 S120 R121 Y125 V305 V475 A476 T479	N113-M117 PolarHBondContact O-N 2.92Å; N113-M117 VanDerWaalsContact O-N 3.09Å; M114-M117 PolarHBondContact O-N 3.04Å; M114-M117 VanDerWaalsContact O-N 3.17Å; M117-K119 VanDerWaalsContact C-N 3.28Å; M117-K119 PolarHBondContact O-N 3.37Å; M117-S120 PolarHBondContact O-N 3.46Å; M117-S120 VanDerWaalsContact O-N 3.14Å; M117-R121 PolarHBondContact O-N 3.25Å; M117-Y125 HydrophobicContact CB-CD1 4.43Å; M117-Y125 HydrophobicContact CB-CD2 4.23Å; M117-Y125 HydrophobicContact CB-CE1 4.38Å; M117-Y125 HydrophobicContact CB-CE2 4.18Å; M117-Y125 HydrophobicContact CB-CG 4.36Å; M117-Y125 HydrophobicContact CE-CE2 3.58Å; M117-Y125 WeakPolarHBondContact CE-OH 3.45Å; M117-V305 HydrophobicContact CB-CG2 4.38Å; M117-V305 HydrophobicContact CG-CB 4.43Å; M117-V305 HydrophobicContact CG-CG1 4.01Å; M117-V305 HydrophobicContact CG-CG2 3.81Å; M117-V475 HydrophobicContact CE-CG1 4.15Å; M117-V475 HydrophobicContact SD-CG1 4.3Å; M117-A476 HydrophobicContact CE-CB 4.06Å; M117-A476 HydrophobicContact SD-CB 4.04Å; M117-T479 HydrophobicContact SD-CG2 4.5Å
118	I	97.3	Very high	96.4	Very high	56 Å²	56	50.3 Å²	50.3	29%	0.287	25%	0.253	S	S	.	.	H	α-helix	trans	-61.7	-36.9	175.9	-71.6	163.6	0	0	0	111	M114 S120 P122 V128	M114-I118 HydrophobicContact CB-CD1 4.44Å; M114-I118 WeakPolarHBondContact O-CB 3.19Å; M114-I118 WeakPolarHBondContact O-CD1 3.45Å; M114-I118 WeakPolarHBondContact O-CG1 3.4Å; M114-I118 PolarHBondContact O-N 2.79Å; I118-S120 VanDerWaalsContact C-N 3.32Å; I118-S120 PolarHBondContact O-N 3.46Å; I118-P122 WeakPolarHBondContact O-CA 3.3Å; I118-P122 WeakPolarHBondContact O-CB 3.3Å; I118-P122 VanDerWaalsContact O-CD 3.32Å; I118-P122 WeakPolarHBondContact O-CD 3.45Å; I118-P122 VanDerWaalsContact O-N 3.11Å; I118-V128 HydrophobicContact CD1-CB 4.47Å
119	K	95.2	Very high	96.6	Very high	168 Å²	168	49.5 Å²	49.5	73%	0.73	25%	0.249	S	C	*	.	H	α-helix	trans	-63.3	-37.6	175.3	-74.3	175.5	-178.8	-178.9	0	112.3	T115 K116 M117	T115-K119 WeakPolarHBondContact O-CG 3.02Å; T115-K119 PolarHBondContact O-N 2.76Å; T115-K119 VanDerWaalsContact O-N 3.15Å; K116-K119 PolarHBondContact O-N 3.09Å; M117-K119 VanDerWaalsContact C-N 3.28Å; M117-K119 PolarHBondContact O-N 3.37Å
120	S	94.3	Very high	96.7	Very high	63 Å²	63	53.8 Å²	53.8	44%	0.441	26%	0.264	S	S	.	.	H	α-helix	trans	-84.7	-33.5	-179.7	-59.5	0	0	0	0	113.5	K116 M117 I118	K116-S120 PolarHBondContact O-N 3.06Å; M117-S120 PolarHBondContact O-N 3.46Å; M117-S120 VanDerWaalsContact O-N 3.14Å; I118-S120 VanDerWaalsContact C-N 3.32Å; I118-S120 PolarHBondContact O-N 3.46Å
121	R	96.4	Very high	96.7	Very high	92 Å²	92	53.7 Å²	53.7	35%	0.347	26%	0.264	S	S	.	.			trans	-138.8	65.1	-173.3	-64.9	-68.5	-172.6	178.8	-2.1	111.2	M117 L123 D124 Y125 L472 V475	M117-R121 PolarHBondContact O-N 3.25Å; R121-L123 VanDerWaalsContact C-N 3.27Å; R121-L123 PolarHBondContact O-N 3.41Å; R121-D124 HydrophobicContact CB-CB 4.29Å; R121-D124 PolarHBondContact O-N 3.35Å; R121-Y125 HydrophobicContact CB-CD2 3.93Å; R121-Y125 HydrophobicContact CB-CE2 4.18Å; R121-Y125 PolarHBondContact O-N 2.86Å; R121-L472 HydrophobicContact CB-CD2 4.22Å; R121-L472 HydrophobicContact CG-CD2 3.76Å; R121-V475 HydrophobicContact CG-CG1 4.14Å
122	P	96.9	Very high	96.7	Very high	77 Å²	77	54.3 Å²	54.3	50%	0.5	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-27.8	-172.6	24	-34	0	0	0	114.1	I118 T126	I118-P122 WeakPolarHBondContact O-CA 3.3Å; I118-P122 WeakPolarHBondContact O-CB 3.3Å; I118-P122 VanDerWaalsContact O-CD 3.32Å; I118-P122 WeakPolarHBondContact O-CD 3.45Å; I118-P122 VanDerWaalsContact O-N 3.11Å; P122-T126 VanDerWaalsContact O-CG2 3.27Å; P122-T126 WeakPolarHBondContact O-CG2 3.46Å
123	L	96.8	Very high	96.7	Very high	152 Å²	152	51.1 Å²	51.1	80%	0.796	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-29	-179.7	-59.7	179.3	0	0	0	112.7	R121	R121-L123 VanDerWaalsContact C-N 3.27Å; R121-L123 PolarHBondContact O-N 3.41Å
124	D	97.9	Very high	96.5	Very high	28 Å²	28	51 Å²	51	15%	0.15	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-31.2	-177.2	-63	-68.8	0	0	0	112.7	R121 K301 K468 L472	R121-D124 HydrophobicContact CB-CB 4.29Å; R121-D124 PolarHBondContact O-N 3.35Å; D124-K301 HydrophobicContact CB-CD 4.32Å; D124-K301 WeakPolarHBondContact O-CD 3.45Å; D124-K301 PolarHBondContact O-NZ 3.02Å; D124-K468 WeakPolarHBondContact OD1-CE 3.37Å; D124-K468 IonicContact OD1-NZ 2.75Å; D124-L472 HydrophobicContact CB-CD1 4.27Å; D124-L472 HydrophobicContact CB-CD2 4.17Å
125	Y	98.2	Very high	96.3	Very high	3 Å²	3	53.2 Å²	53.2	1%	0.012	27%	0.268	C	S	.	.			trans	-105.7	45.1	-173.6	-70.9	-89.4	0	0	0	113.1	M114 M117 R121 F127 K301 V305 L472	M114-Y125 HydrophobicContact SD-CD1 3.9Å; M114-Y125 HydrophobicContact SD-CE1 4.23Å; M117-Y125 HydrophobicContact CB-CD1 4.43Å; M117-Y125 HydrophobicContact CB-CD2 4.23Å; M117-Y125 HydrophobicContact CB-CE1 4.38Å; M117-Y125 HydrophobicContact CB-CE2 4.18Å; M117-Y125 HydrophobicContact CB-CG 4.36Å; M117-Y125 HydrophobicContact CE-CE2 3.58Å; M117-Y125 WeakPolarHBondContact CE-OH 3.45Å; R121-Y125 HydrophobicContact CB-CD2 3.93Å; R121-Y125 HydrophobicContact CB-CE2 4.18Å; R121-Y125 PolarHBondContact O-N 2.86Å; Y125-F127 VanDerWaalsContact C-N 3.3Å; Y125-F127 AromaticContact CD1-CE1 3.8Å; Y125-F127 HydrophobicContact CD1-CE1 3.8Å; Y125-F127 AromaticContact CD1-CZ 3.59Å; Y125-F127 HydrophobicContact CD1-CZ 3.59Å; Y125-F127 HydrophobicContact CE1-CE1 4.35Å; Y125-F127 AromaticContact CE1-CZ 3.98Å; Y125-F127 HydrophobicContact CE1-CZ 3.98Å; Y125-F127 HydrophobicContact CG-CE1 4.36Å; Y125-F127 PolarHBondContact O-N 2.88Å; Y125-K301 HydrophobicContact CE1-CB 3.92Å; Y125-K301 VanDerWaalsContact CE1-O 3.31Å; Y125-K301 WeakPolarHBondContact CE1-O 3.35Å; Y125-K301 PolarHBondContact OH-O 3.35Å; Y125-V305 HydrophobicContact CD1-CG2 4.44Å; Y125-V305 HydrophobicContact CE1-CG2 3.5Å; Y125-L472 HydrophobicContact CE2-CD1 4.46Å; Y125-L472 HydrophobicContact CE2-CD2 4.2Å
126	T	97.9	Very high	96.2	Very high	72 Å²	72	55 Å²	55	44%	0.442	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-2.1	179.8	64.1	0	0	0	0	114.1	P122 K344 W346	P122-T126 VanDerWaalsContact O-CG2 3.27Å; P122-T126 WeakPolarHBondContact O-CG2 3.46Å; T126-K344 WeakPolarHBondContact O-CE 3.38Å; T126-K344 PolarHBondContact O-NZ 2.87Å; T126-W346 VanDerWaalsContact O-CZ3 3.32Å; T126-W346 WeakPolarHBondContact O-CZ3 3.15Å
127	F	98.4	Very high	96.3	Very high	10 Å²	10	52.7 Å²	52.7	4%	0.044	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	5	-173.4	59.4	-97.7	0	0	0	114	M114 Y125 L298 K301 T302 W346 L347	M114-F127 HydrophobicContact CE-CE2 4.04Å; M114-F127 HydrophobicContact CE-CZ 4.39Å; Y125-F127 VanDerWaalsContact C-N 3.3Å; Y125-F127 AromaticContact CD1-CE1 3.8Å; Y125-F127 HydrophobicContact CD1-CE1 3.8Å; Y125-F127 AromaticContact CD1-CZ 3.59Å; Y125-F127 HydrophobicContact CD1-CZ 3.59Å; Y125-F127 HydrophobicContact CE1-CE1 4.35Å; Y125-F127 AromaticContact CE1-CZ 3.98Å; Y125-F127 HydrophobicContact CE1-CZ 3.98Å; Y125-F127 HydrophobicContact CG-CE1 4.36Å; Y125-F127 PolarHBondContact O-N 2.88Å; F127-L298 HydrophobicContact CB-CD1 3.96Å; F127-L298 HydrophobicContact CB-CG 4.27Å; F127-L298 HydrophobicContact CD2-CB 4.43Å; F127-L298 HydrophobicContact CD2-CD1 3.95Å; F127-L298 HydrophobicContact CD2-CD2 4.43Å; F127-L298 HydrophobicContact CD2-CG 3.56Å; F127-L298 HydrophobicContact CE2-CG 3.99Å; F127-L298 HydrophobicContact CG-CB 4.4Å; F127-L298 HydrophobicContact CG-CD1 4.14Å; F127-L298 HydrophobicContact CG-CG 3.91Å; F127-K301 HydrophobicContact CE1-CB 3.83Å; F127-K301 HydrophobicContact CE1-CD 4.17Å; F127-K301 HydrophobicContact CZ-CB 3.85Å; F127-T302 WeakPolarHBondContact CE2-OG1 3.18Å; F127-W346 CarbonylContact O-C 3.51Å; F127-W346 VanDerWaalsContact O-CA 3.29Å; F127-W346 WeakPolarHBondContact O-CA 3.4Å; F127-L347 HydrophobicContact CD2-CB 4.11Å; F127-L347 HydrophobicContact CE2-CD2 4.42Å; F127-L347 PolarHBondContact O-N 2.9Å
128	V	97.9	Very high	96.1	Very high	18 Å²	18	55.7 Å²	55.7	11%	0.109	29%	0.29	C	S	.	.	S	Bend	trans	-111.1	125.4	178.3	-174.3	0	0	0	0	109.1	M114 I118 L347	M114-V128 HydrophobicContact CB-CG1 4.3Å; M114-V128 HydrophobicContact CB-CG2 4.45Å; M114-V128 HydrophobicContact CE-CG2 4.05Å; M114-V128 HydrophobicContact CG-CG1 4.34Å; M114-V128 HydrophobicContact CG-CG2 4Å; M114-V128 HydrophobicContact SD-CG2 3.78Å; I118-V128 HydrophobicContact CD1-CB 4.47Å; V128-L347 HydrophobicContact CG2-CD2 4.5Å
129	P	96.9	Very high	95.9	Very high	5 Å²	5	57.1 Å²	57.1	3%	0.032	30%	0.301	C	S	.	.			trans	-62.5	142.2	174	-20.6	33.1	0	0	0	110.7	T131 Q188 I191 W346 L347	P129-T131 PolarHBondContact O-N 3.2Å; P129-T131 PolarHBondContact O-OG1 2.87Å; P129-Q188 HydrophobicContact CB-CG 3.73Å; P129-Q188 HydrophobicContact CG-CG 4.49Å; P129-I191 HydrophobicContact CG-CD1 3.96Å; P129-I191 HydrophobicContact CG-CG1 4.44Å; P129-W346 HydrophobicContact CG-CE3 3.89Å; P129-L347 VanDerWaalsContact CD-O 3.31Å; P129-L347 WeakPolarHBondContact CD-O 3.3Å
130	R	96.3	Very high	95.9	Very high	135 Å²	135	53.7 Å²	53.7	51%	0.509	29%	0.288	S	S	.	.			trans	-58.6	127.7	177.6	-174.8	178.9	-68.9	176.3	-4.4	109.4	W132 Q188 E189	R130-W132 HydrophobicContact CB-CH2 4.15Å; R130-W132 HydrophobicContact CB-CZ3 4.43Å; R130-W132 HydrophobicContact CG-CH2 3.54Å; R130-W132 HydrophobicContact CG-CZ2 3.62Å; R130-W132 HydrophobicContact CG-CZ3 4.04Å; R130-Q188 CarbonylContact O-C 3.6Å; R130-Q188 WeakPolarHBondContact O-CA 3.28Å; R130-E189 HydrophobicContact CB-CG 3.98Å; R130-E189 PolarHBondContact O-N 2.97Å
131	T	97.1	Very high	95.9	Very high	11 Å²	11	50.7 Å²	50.7	7%	0.067	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	141.2	-172	-53.6	0	0	0	0	109.1	A111 P129 I186 V187 Q188	A111-T131 HydrophobicContact CB-CG2 3.6Å; P129-T131 PolarHBondContact O-N 3.2Å; P129-T131 PolarHBondContact O-OG1 2.87Å; T131-I186 HydrophobicContact CG2-CB 4.04Å; T131-I186 HydrophobicContact CG2-CD1 3.93Å; T131-V187 CarbonylContact C-O 3.5Å; T131-V187 WeakPolarHBondContact CA-O 3.42Å; T131-Q188 HydrophobicContact CG2-CB 4.2Å; T131-Q188 WeakPolarHBondContact OG1-CG 3.49Å; T131-Q188 PolarHBondContact OG1-NE2 3.1Å
132	W	96.4	Very high	95.8	Very high	18 Å²	18	47.1 Å²	47.1	7%	0.068	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	136	175.5	-62	-94.7	0	0	0	109.7	R130 F134 E137 F141 Y144 F157 I186 V187 E189	R130-W132 HydrophobicContact CB-CH2 4.15Å; R130-W132 HydrophobicContact CB-CZ3 4.43Å; R130-W132 HydrophobicContact CG-CH2 3.54Å; R130-W132 HydrophobicContact CG-CZ2 3.62Å; R130-W132 HydrophobicContact CG-CZ3 4.04Å; W132-F134 HydrophobicContact CB-CE1 4.26Å; W132-E137 VanDerWaalsContact CA-OE2 3.23Å; W132-E137 WeakPolarHBondContact CA-OE2 3.5Å; W132-E137 HydrophobicContact CB-CB 4.22Å; W132-F141 HydrophobicContact CB-CB 4.22Å; W132-F141 HydrophobicContact CD2-CB 4.28Å; W132-F141 AromaticContact CD2-CD2 3.8Å; W132-F141 HydrophobicContact CD2-CD2 3.8Å; W132-F141 AromaticContact CE3-CD2 3.8Å; W132-F141 HydrophobicContact CE3-CD2 3.8Å; W132-F141 HydrophobicContact CE3-CE2 4.36Å; W132-F141 HydrophobicContact CG-CB 3.88Å; W132-F141 HydrophobicContact CG-CD2 4.22Å; W132-F141 HydrophobicContact CZ3-CD2 4.2Å; W132-F141 HydrophobicContact CZ3-CE2 4.47Å; W132-Y144 AromaticContact CH2-CD1 3.38Å; W132-Y144 HydrophobicContact CH2-CD1 3.38Å; W132-Y144 AromaticContact CH2-CE1 3.41Å; W132-Y144 HydrophobicContact CH2-CE1 3.41Å; W132-Y144 VanDerWaalsContact CH2-CE1 3.41Å; W132-Y144 HydrophobicContact CH2-CG 4.21Å; W132-Y144 AromaticContact CZ2-CD1 3.29Å; W132-Y144 HydrophobicContact CZ2-CD1 3.29Å; W132-Y144 HydrophobicContact CZ2-CD2 4.46Å; W132-Y144 AromaticContact CZ2-CE1 3.75Å; W132-Y144 HydrophobicContact CZ2-CE1 3.75Å; W132-Y144 AromaticContact CZ2-CG 3.67Å; W132-Y144 HydrophobicContact CZ2-CG 3.67Å; W132-Y144 HydrophobicContact CZ3-CD1 4.49Å; W132-F157 AromaticContact CH2-CE1 3.92Å; W132-F157 HydrophobicContact CH2-CE1 3.92Å; W132-F157 AromaticContact CZ3-CD1 3.96Å; W132-F157 HydrophobicContact CZ3-CD1 3.96Å; W132-F157 AromaticContact CZ3-CE1 3.72Å; W132-F157 HydrophobicContact CZ3-CE1 3.72Å; W132-I186 CarbonylContact O-C 3.48Å; W132-I186 WeakPolarHBondContact O-CA 3.29Å; W132-V187 PolarHBondContact N-O 3.39Å; W132-V187 PolarHBondContact O-N 2.95Å; W132-E189 HydrophobicContact CH2-CG 3.92Å; W132-E189 HydrophobicContact CZ3-CG 3.88Å
133	I	95.5	Very high	95.6	Very high	26 Å²	26	47.2 Å²	47.2	13%	0.133	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	119.4	-178.2	-54.9	167.4	0	0	0	109.4	D108 A111 R112 A136 E137 I186	D108-I133 HydrophobicContact CB-CG2 4.18Å; D108-I133 WeakPolarHBondContact O-CD1 3.5Å; A111-I133 HydrophobicContact CB-CD1 4.1Å; A111-I133 HydrophobicContact CB-CG1 4.01Å; R112-I133 HydrophobicContact CB-CD1 3.71Å; I133-A136 PolarHBondContact O-N 2.93Å; I133-E137 PolarHBondContact N-OE2 2.77Å; I133-E137 WeakPolarHBondContact O-CB 3.44Å; I133-E137 PolarHBondContact O-N 2.89Å; I133-I186 HydrophobicContact CG1-CG2 4.42Å
134	F	93.8	Very high	95.5	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.018	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	147.4	178.3	-79.6	28.8	0	0	0	111.5	W132 Y138 F141 L179 D183 L185 V187	W132-F134 HydrophobicContact CB-CE1 4.26Å; F134-Y138 HydrophobicContact CD2-CD2 4.05Å; F134-Y138 AromaticContact CE2-CD2 3.43Å; F134-Y138 HydrophobicContact CE2-CD2 3.43Å; F134-Y138 VanDerWaalsContact CE2-CD2 3.43Å; F134-Y138 HydrophobicContact CE2-CE2 4.12Å; F134-Y138 HydrophobicContact CE2-CG 4.44Å; F134-Y138 AromaticContact CZ-CD2 3.71Å; F134-Y138 HydrophobicContact CZ-CD2 3.71Å; F134-Y138 HydrophobicContact CZ-CE2 4.48Å; F134-Y138 HydrophobicContact CZ-CG 4.47Å; F134-F141 HydrophobicContact CE1-CB 3.83Å; F134-F141 HydrophobicContact CE1-CD1 4.23Å; F134-F141 HydrophobicContact CE1-CG 4.1Å; F134-F141 HydrophobicContact CZ-CB 4.08Å; F134-F141 AromaticContact CZ-CD1 3.65Å; F134-F141 HydrophobicContact CZ-CD1 3.65Å; F134-F141 HydrophobicContact CZ-CE1 4.33Å; F134-F141 AromaticContact CZ-CG 4Å; F134-F141 HydrophobicContact CZ-CG 4Å; F134-L179 HydrophobicContact CE2-CB 4.06Å; F134-L179 HydrophobicContact CE2-CD1 3.98Å; F134-L179 HydrophobicContact CZ-CD1 4.16Å; F134-D183 CarbonylContact C-O 3.52Å; F134-D183 WeakPolarHBondContact CB-O 3.49Å; F134-L185 HydrophobicContact CB-CD1 3.7Å; F134-L185 HydrophobicContact CB-CG 3.96Å; F134-L185 HydrophobicContact CD1-CD1 4.3Å; F134-L185 HydrophobicContact CD2-CD1 3.65Å; F134-L185 HydrophobicContact CD2-CG 4.25Å; F134-L185 HydrophobicContact CE2-CD1 4.32Å; F134-L185 HydrophobicContact CG-CD1 3.63Å; F134-L185 HydrophobicContact CG-CG 4.33Å; F134-L185 PolarHBondContact N-O 3.31Å; F134-V187 HydrophobicContact CD1-CG2 4.1Å; F134-V187 HydrophobicContact CD2-CG2 4.47Å; F134-V187 HydrophobicContact CE1-CB 4.44Å; F134-V187 HydrophobicContact CE1-CG2 3.73Å; F134-V187 HydrophobicContact CE2-CG2 4.1Å; F134-V187 HydrophobicContact CG-CG2 4.46Å; F134-V187 HydrophobicContact CZ-CG2 3.73Å
135	P	93.4	Very high	95.3	Very high	46 Å²	46	40.5 Å²	40.5	30%	0.299	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	cis	-80.9	-8.8	0.8	33.2	-38.4	0	0	0	114.7	E137 Y138 S181 H184	P135-E137 VanDerWaalsContact C-N 3.29Å; P135-E137 PolarHBondContact O-N 3.16Å; P135-E137 VanDerWaalsContact O-N 3.14Å; P135-Y138 WeakPolarHBondContact O-CB 3.47Å; P135-Y138 PolarHBondContact O-N 2.75Å; P135-S181 WeakPolarHBondContact CB-O 3.4Å; P135-H184 WeakPolarHBondContact CD-ND1 3.48Å
136	A	93.8	Very high	95	Very high	78 Å²	78	46 Å²	46	65%	0.645	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-31.8	-168.1	0	0	0	0	0	115.4	I133	I133-A136 PolarHBondContact O-N 2.93Å
137	E	94.8	Very high	94.7	Very high	42 Å²	42	47.2 Å²	47.2	20%	0.196	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.9	18.9	-175.2	-59.4	179.2	155.7	0	0	112.8	W132 I133 P135 T139 Q140 F141	W132-E137 VanDerWaalsContact CA-OE2 3.23Å; W132-E137 WeakPolarHBondContact CA-OE2 3.5Å; W132-E137 HydrophobicContact CB-CB 4.22Å; I133-E137 PolarHBondContact N-OE2 2.77Å; I133-E137 WeakPolarHBondContact O-CB 3.44Å; I133-E137 PolarHBondContact O-N 2.89Å; P135-E137 VanDerWaalsContact C-N 3.29Å; P135-E137 PolarHBondContact O-N 3.16Å; P135-E137 VanDerWaalsContact O-N 3.14Å; E137-T139 PolarHBondContact O-N 3.38Å; E137-Q140 VanDerWaalsContact CA-OE1 3.29Å; E137-Q140 HydrophobicContact CB-CB 4.46Å; E137-Q140 PolarHBondContact O-N 3.29Å; E137-F141 PolarHBondContact O-N 2.68Å
138	Y	93.6	Very high	94.4	Very high	65 Å²	65	47.4 Å²	47.4	26%	0.255	24%	0.24	S	C	.	.	H	α-helix	trans	-54.5	-51.5	178.1	175.8	-95.4	0	0	0	111.7	F134 P135 Q140 F141 Q142	F134-Y138 HydrophobicContact CD2-CD2 4.05Å; F134-Y138 AromaticContact CE2-CD2 3.43Å; F134-Y138 HydrophobicContact CE2-CD2 3.43Å; F134-Y138 VanDerWaalsContact CE2-CD2 3.43Å; F134-Y138 HydrophobicContact CE2-CE2 4.12Å; F134-Y138 HydrophobicContact CE2-CG 4.44Å; F134-Y138 AromaticContact CZ-CD2 3.71Å; F134-Y138 HydrophobicContact CZ-CD2 3.71Å; F134-Y138 HydrophobicContact CZ-CE2 4.48Å; F134-Y138 HydrophobicContact CZ-CG 4.47Å; P135-Y138 WeakPolarHBondContact O-CB 3.47Å; P135-Y138 PolarHBondContact O-N 2.75Å; Y138-Q140 VanDerWaalsContact C-N 3.32Å; Y138-Q140 PolarHBondContact O-N 3Å; Y138-F141 WeakPolarHBondContact O-CB 3.41Å; Y138-F141 PolarHBondContact O-N 3.3Å; Y138-Q142 HydrophobicContact CD1-CG 4.09Å; Y138-Q142 HydrophobicContact CE1-CG 3.65Å; Y138-Q142 HydrophobicContact CE2-CG 4.1Å; Y138-Q142 WeakPolarHBondContact O-CG 3.44Å; Y138-Q142 PolarHBondContact O-N 2.85Å
139	T	93	Very high	94.1	Very high	86 Å²	86	51.1 Å²	51.1	53%	0.528	25%	0.254	S	S	.	.	H	α-helix	trans	-62.7	-39.6	-178.4	-56.5	0	0	0	0	111.8	E137 Q142 N143	E137-T139 PolarHBondContact O-N 3.38Å; T139-Q142 PolarHBondContact O-N 3.35Å; T139-N143 WeakPolarHBondContact O-CB 3Å; T139-N143 VanDerWaalsContact O-CG 3.23Å; T139-N143 PolarHBondContact O-N 3.49Å; T139-N143 PolarHBondContact O-ND2 2.69Å
140	Q	94.8	Very high	93.9	Very high	96 Å²	96	59.3 Å²	59.3	45%	0.449	29%	0.289	S	S	.	.	H	α-helix	trans	-64.2	-42	177.2	-64.3	86.8	-40.7	0	0	110.8	E137 Y138 Y144	E137-Q140 VanDerWaalsContact CA-OE1 3.29Å; E137-Q140 HydrophobicContact CB-CB 4.46Å; E137-Q140 PolarHBondContact O-N 3.29Å; Y138-Q140 VanDerWaalsContact C-N 3.32Å; Y138-Q140 PolarHBondContact O-N 3Å; Q140-Y144 PolarHBondContact O-N 3.41Å
141	F	95	Very high	93.8	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63.7	-47	173.6	172.7	-102.8	0	0	0	111.9	W132 F134 E137 Y138 N143 Y144 V145 F157 L179 V187	W132-F141 HydrophobicContact CB-CB 4.22Å; W132-F141 HydrophobicContact CD2-CB 4.28Å; W132-F141 AromaticContact CD2-CD2 3.8Å; W132-F141 HydrophobicContact CD2-CD2 3.8Å; W132-F141 AromaticContact CE3-CD2 3.8Å; W132-F141 HydrophobicContact CE3-CD2 3.8Å; W132-F141 HydrophobicContact CE3-CE2 4.36Å; W132-F141 HydrophobicContact CG-CB 3.88Å; W132-F141 HydrophobicContact CG-CD2 4.22Å; W132-F141 HydrophobicContact CZ3-CD2 4.2Å; W132-F141 HydrophobicContact CZ3-CE2 4.47Å; F134-F141 HydrophobicContact CE1-CB 3.83Å; F134-F141 HydrophobicContact CE1-CD1 4.23Å; F134-F141 HydrophobicContact CE1-CG 4.1Å; F134-F141 HydrophobicContact CZ-CB 4.08Å; F134-F141 AromaticContact CZ-CD1 3.65Å; F134-F141 HydrophobicContact CZ-CD1 3.65Å; F134-F141 HydrophobicContact CZ-CE1 4.33Å; F134-F141 AromaticContact CZ-CG 4Å; F134-F141 HydrophobicContact CZ-CG 4Å; E137-F141 PolarHBondContact O-N 2.68Å; Y138-F141 WeakPolarHBondContact O-CB 3.41Å; Y138-F141 PolarHBondContact O-N 3.3Å; F141-N143 VanDerWaalsContact C-N 3.31Å; F141-N143 PolarHBondContact O-N 3.08Å; F141-Y144 WeakPolarHBondContact O-CB 3.16Å; F141-Y144 PolarHBondContact O-N 2.63Å; F141-Y144 VanDerWaalsContact O-N 3.1Å; F141-V145 HydrophobicContact CD1-CG2 4.26Å; F141-V145 HydrophobicContact CD2-CG2 4.23Å; F141-V145 HydrophobicContact CE1-CG2 3.79Å; F141-V145 HydrophobicContact CE2-CG2 3.74Å; F141-V145 HydrophobicContact CG-CG2 4.48Å; F141-V145 HydrophobicContact CZ-CG2 3.51Å; F141-V145 WeakPolarHBondContact O-CG2 3.35Å; F141-V145 PolarHBondContact O-N 3.26Å; F141-F157 AromaticContact CE2-CD1 3.85Å; F141-F157 HydrophobicContact CE2-CD1 3.85Å; F141-F157 HydrophobicContact CE2-CD2 4.3Å; F141-F157 AromaticContact CE2-CE1 3.78Å; F141-F157 HydrophobicContact CE2-CE1 3.78Å; F141-F157 HydrophobicContact CE2-CE2 4.25Å; F141-F157 HydrophobicContact CE2-CG 4.11Å; F141-F157 AromaticContact CE2-CZ 3.98Å; F141-F157 HydrophobicContact CE2-CZ 3.98Å; F141-F157 HydrophobicContact CZ-CD2 4.32Å; F141-F157 HydrophobicContact CZ-CE2 4.4Å; F141-F157 HydrophobicContact CZ-CG 4.41Å; F141-L179 HydrophobicContact CE1-CD1 3.98Å; F141-L179 HydrophobicContact CZ-CD1 4.33Å; F141-V187 HydrophobicContact CD2-CG1 4.08Å; F141-V187 HydrophobicContact CE2-CB 4.45Å; F141-V187 HydrophobicContact CE2-CG1 3.57Å; F141-V187 HydrophobicContact CZ-CG1 3.9Å
142	Q	93.1	Very high	93.5	Very high	17 Å²	17	70.2 Å²	70.2	8%	0.079	33%	0.333	C	S	.	.	H	α-helix	trans	-60.5	-40.7	178.4	-69.1	-57.2	-30.3	0	0	112.1	Y138 T139 Y144 V145 K146 G176	Y138-Q142 HydrophobicContact CD1-CG 4.09Å; Y138-Q142 HydrophobicContact CE1-CG 3.65Å; Y138-Q142 HydrophobicContact CE2-CG 4.1Å; Y138-Q142 WeakPolarHBondContact O-CG 3.44Å; Y138-Q142 PolarHBondContact O-N 2.85Å; T139-Q142 PolarHBondContact O-N 3.35Å; Q142-Y144 VanDerWaalsContact C-N 3.34Å; Q142-Y144 PolarHBondContact O-N 2.94Å; Q142-V145 PolarHBondContact O-N 3.44Å; Q142-K146 WeakPolarHBondContact O-CB 3.25Å; Q142-K146 VanDerWaalsContact O-CG 3.28Å; Q142-K146 WeakPolarHBondContact O-CG 3.34Å; Q142-K146 PolarHBondContact O-N 2.95Å; Q142-G176 PolarHBondContact NE2-O 2.94Å
143	N	93.9	Very high	93.2	Very high	80 Å²	80	76 Å²	76	43%	0.428	36%	0.358	S	S	.	.	H	α-helix	trans	-62.6	-42.4	174.5	-71.7	-16.2	0	0	0	111.6	T139 F141 K146 E147	T139-N143 WeakPolarHBondContact O-CB 3Å; T139-N143 VanDerWaalsContact O-CG 3.23Å; T139-N143 PolarHBondContact O-N 3.49Å; T139-N143 PolarHBondContact O-ND2 2.69Å; F141-N143 VanDerWaalsContact C-N 3.31Å; F141-N143 PolarHBondContact O-N 3.08Å; N143-K146 PolarHBondContact O-N 2.85Å; N143-E147 WeakPolarHBondContact O-CG 3.27Å; N143-E147 PolarHBondContact O-N 3.04Å
144	Y	94.2	Very high	92.8	Very high	31 Å²	31	79.6 Å²	79.6	12%	0.122	38%	0.375	C	S	.	.	H	α-helix	trans	-61.8	-44.6	175.4	178.7	-113.9	0	0	0	112.8	W132 Q140 F141 Q142 K146 E147 L148 F157 E189	W132-Y144 AromaticContact CH2-CD1 3.38Å; W132-Y144 HydrophobicContact CH2-CD1 3.38Å; W132-Y144 AromaticContact CH2-CE1 3.41Å; W132-Y144 HydrophobicContact CH2-CE1 3.41Å; W132-Y144 VanDerWaalsContact CH2-CE1 3.41Å; W132-Y144 HydrophobicContact CH2-CG 4.21Å; W132-Y144 AromaticContact CZ2-CD1 3.29Å; W132-Y144 HydrophobicContact CZ2-CD1 3.29Å; W132-Y144 HydrophobicContact CZ2-CD2 4.46Å; W132-Y144 AromaticContact CZ2-CE1 3.75Å; W132-Y144 HydrophobicContact CZ2-CE1 3.75Å; W132-Y144 AromaticContact CZ2-CG 3.67Å; W132-Y144 HydrophobicContact CZ2-CG 3.67Å; W132-Y144 HydrophobicContact CZ3-CD1 4.49Å; Q140-Y144 PolarHBondContact O-N 3.41Å; F141-Y144 WeakPolarHBondContact O-CB 3.16Å; F141-Y144 PolarHBondContact O-N 2.63Å; F141-Y144 VanDerWaalsContact O-N 3.1Å; Q142-Y144 VanDerWaalsContact C-N 3.34Å; Q142-Y144 PolarHBondContact O-N 2.94Å; Y144-K146 PolarHBondContact O-N 3.49Å; Y144-E147 PolarHBondContact O-N 2.99Å; Y144-L148 HydrophobicContact CD1-CD1 3.98Å; Y144-L148 HydrophobicContact CE1-CD1 3.46Å; Y144-L148 VanDerWaalsContact CE1-CD1 3.46Å; Y144-L148 HydrophobicContact CE1-CG 4.11Å; Y144-L148 HydrophobicContact CE2-CD1 4.37Å; Y144-L148 HydrophobicContact CE2-CD2 4.29Å; Y144-L148 HydrophobicContact CE2-CG 4.14Å; Y144-L148 WeakPolarHBondContact O-CG 3.16Å; Y144-L148 PolarHBondContact O-N 2.61Å; Y144-F157 HydrophobicContact CD1-CE1 4.27Å; Y144-F157 HydrophobicContact CD1-CZ 4.21Å; Y144-F157 AromaticContact CE1-CE1 3.92Å; Y144-F157 HydrophobicContact CE1-CE1 3.92Å; Y144-F157 AromaticContact CE1-CZ 3.92Å; Y144-F157 HydrophobicContact CE1-CZ 3.92Å; Y144-E189 WeakPolarHBondContact CE1-OE1 3.45Å; Y144-E189 VanDerWaalsContact CZ-OE1 3.28Å; Y144-E189 PolarHBondContact OH-OE1 3.32Å
145	V	92.7	Very high	92.7	Very high	8 Å²	8	82.7 Å²	82.7	5%	0.048	39%	0.388	C	S	.	.	H	α-helix	trans	-62.9	-42.1	176.4	173.4	0	0	0	0	111	F141 Q142 E147 L148 K149 F157	F141-V145 HydrophobicContact CD1-CG2 4.26Å; F141-V145 HydrophobicContact CD2-CG2 4.23Å; F141-V145 HydrophobicContact CE1-CG2 3.79Å; F141-V145 HydrophobicContact CE2-CG2 3.74Å; F141-V145 HydrophobicContact CG-CG2 4.48Å; F141-V145 HydrophobicContact CZ-CG2 3.51Å; F141-V145 WeakPolarHBondContact O-CG2 3.35Å; F141-V145 PolarHBondContact O-N 3.26Å; Q142-V145 PolarHBondContact O-N 3.44Å; V145-E147 VanDerWaalsContact C-N 3.33Å; V145-E147 PolarHBondContact O-N 3.04Å; V145-L148 PolarHBondContact O-N 2.7Å; V145-K149 HydrophobicContact CG1-CD 4.4Å; V145-K149 WeakPolarHBondContact O-CG 3.25Å; V145-K149 PolarHBondContact O-N 2.84Å; V145-F157 HydrophobicContact CG2-CE2 4.35Å; V145-F157 HydrophobicContact CG2-CZ 4.32Å
146	K	91.9	Very high	92.7	Very high	117 Å²	117	80.5 Å²	80.5	51%	0.509	37%	0.374	S	S	.	.	H	α-helix	trans	-60	-42	174.2	-74	173.2	-176.2	177.6	0	111.8	Q142 N143 Y144 K149 K150	Q142-K146 WeakPolarHBondContact O-CB 3.25Å; Q142-K146 VanDerWaalsContact O-CG 3.28Å; Q142-K146 WeakPolarHBondContact O-CG 3.34Å; Q142-K146 PolarHBondContact O-N 2.95Å; N143-K146 PolarHBondContact O-N 2.85Å; Y144-K146 PolarHBondContact O-N 3.49Å; K146-K149 PolarHBondContact O-N 3.18Å; K146-K150 WeakPolarHBondContact O-CG 3.12Å; K146-K150 PolarHBondContact O-N 3.47Å
147	E	93.1	Very high	92.8	Very high	98 Å²	98	77 Å²	77	46%	0.458	34%	0.344	S	S	.	.	H	α-helix	trans	-64.8	-41.1	175.3	-76.5	-171.7	-167.2	0	0	113.1	N143 Y144 V145 K149 K150 K151	N143-E147 WeakPolarHBondContact O-CG 3.27Å; N143-E147 PolarHBondContact O-N 3.04Å; Y144-E147 PolarHBondContact O-N 2.99Å; V145-E147 VanDerWaalsContact C-N 3.33Å; V145-E147 PolarHBondContact O-N 3.04Å; E147-K149 VanDerWaalsContact C-N 3.33Å; E147-K150 PolarHBondContact O-N 3.28Å; E147-K151 WeakPolarHBondContact O-CB 3.21Å; E147-K151 WeakPolarHBondContact O-CG 3.29Å; E147-K151 PolarHBondContact O-N 2.92Å; E147-K151 IonicContact OE2-NZ 3.11Å
148	L	91.9	Very high	92.8	Very high	15 Å²	15	75.6 Å²	75.6	8%	0.079	34%	0.338	C	S	.	.	H	α-helix	trans	-59.8	-45.3	174.5	-75.2	177.7	0	0	0	111.1	Y144 V145 K151 R152 K153 K155 F157	Y144-L148 HydrophobicContact CD1-CD1 3.98Å; Y144-L148 HydrophobicContact CE1-CD1 3.46Å; Y144-L148 VanDerWaalsContact CE1-CD1 3.46Å; Y144-L148 HydrophobicContact CE1-CG 4.11Å; Y144-L148 HydrophobicContact CE2-CD1 4.37Å; Y144-L148 HydrophobicContact CE2-CD2 4.29Å; Y144-L148 HydrophobicContact CE2-CG 4.14Å; Y144-L148 WeakPolarHBondContact O-CG 3.16Å; Y144-L148 PolarHBondContact O-N 2.61Å; V145-L148 PolarHBondContact O-N 2.7Å; L148-K151 CarbonylContact O-C 3.54Å; L148-K151 PolarHBondContact O-N 2.82Å; L148-K151 VanDerWaalsContact O-N 3.16Å; L148-R152 PolarHBondContact O-N 2.66Å; L148-R152 VanDerWaalsContact O-N 3.1Å; L148-K153 CarbonylContact C-O 3.58Å; L148-K153 HydrophobicContact CD2-CB 3.94Å; L148-K153 PolarHBondContact O-N 2.93Å; L148-K155 HydrophobicContact CD1-CB 4.02Å; L148-K155 HydrophobicContact CD1-CD 4.42Å; L148-K155 HydrophobicContact CD1-CG 4.05Å; L148-K155 HydrophobicContact CD2-CG 4.43Å; L148-F157 HydrophobicContact CD1-CZ 3.98Å
149	K	90.3	Very high	92.8	Very high	96 Å²	96	73 Å²	73	42%	0.417	33%	0.328	S	S	.	.	H	α-helix	trans	-58.5	-47.4	174.5	-73.1	174.6	175.1	178.9	0	111.9	V145 K146 E147 K151 R152 D177	V145-K149 HydrophobicContact CG1-CD 4.4Å; V145-K149 WeakPolarHBondContact O-CG 3.25Å; V145-K149 PolarHBondContact O-N 2.84Å; K146-K149 PolarHBondContact O-N 3.18Å; E147-K149 VanDerWaalsContact C-N 3.33Å; K149-K151 VanDerWaalsContact C-N 3.26Å; K149-K151 PolarHBondContact O-N 3.18Å; K149-R152 PolarHBondContact O-N 3.15Å; K149-D177 IonicContact NZ-OD1 3.77Å; K149-D177 PolarHBondContact NZ-OD1 2.72Å; K149-D177 IonicContact NZ-OD2 2.81Å; K149-D177 PolarHBondContact NZ-OD2 2.74Å
150	K	93.3	Very high	92.7	Very high	177 Å²	177	69.5 Å²	69.5	77%	0.77	31%	0.306	S	S	*	.	H	α-helix	trans	-57.3	-39.1	175.4	-74.1	178.7	-179.7	-175.9	0	112.2	K146 E147 R152	K146-K150 WeakPolarHBondContact O-CG 3.12Å; K146-K150 PolarHBondContact O-N 3.47Å; E147-K150 PolarHBondContact O-N 3.28Å; K150-R152 PolarHBondContact O-N 2.88Å
151	K	94.4	Very high	92.4	Very high	134 Å²	134	67 Å²	67	58%	0.583	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	4.4	177.4	-68.6	173	-179.2	165.2	0	113.5	E147 L148 K149 K153	E147-K151 WeakPolarHBondContact O-CB 3.21Å; E147-K151 WeakPolarHBondContact O-CG 3.29Å; E147-K151 PolarHBondContact O-N 2.92Å; E147-K151 IonicContact OE2-NZ 3.11Å; L148-K151 CarbonylContact O-C 3.54Å; L148-K151 PolarHBondContact O-N 2.82Å; L148-K151 VanDerWaalsContact O-N 3.16Å; K149-K151 VanDerWaalsContact C-N 3.26Å; K149-K151 PolarHBondContact O-N 3.18Å; K151-K153 HydrophobicContact CB-CD 4.45Å; K151-K153 HydrophobicContact CB-CG 4.22Å; K151-K153 PolarHBondContact O-N 2.93Å; K151-K153 VanDerWaalsContact O-N 3.16Å
152	R	90.9	Very high	91.6	Very high	241 Å²	241	67.5 Å²	67.5	91%	0.909	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	34.6	-173.6	-59.3	-178.7	176.8	176.2	-1.7	112.8	L148 K149 K150	L148-R152 PolarHBondContact O-N 2.66Å; L148-R152 VanDerWaalsContact O-N 3.1Å; K149-R152 PolarHBondContact O-N 3.15Å; K150-R152 PolarHBondContact O-N 2.88Å
153	K	89.6	Confident	90.7	Very high	138 Å²	138	72.6 Å²	72.6	60%	0.6	33%	0.33	S	S	*	.			trans	-103	132.2	176.1	-69.9	-172.6	178.9	-175.5	0	109.5	L148 K151	L148-K153 CarbonylContact C-O 3.58Å; L148-K153 HydrophobicContact CD2-CB 3.94Å; L148-K153 PolarHBondContact O-N 2.93Å; K151-K153 HydrophobicContact CB-CD 4.45Å; K151-K153 HydrophobicContact CB-CG 4.22Å; K151-K153 PolarHBondContact O-N 2.93Å; K151-K153 VanDerWaalsContact O-N 3.16Å
154	Q	86.8	Confident	89.6	Confident	102 Å²	102	69.8 Å²	69.8	48%	0.477	32%	0.32	S	S	.	.			trans	-102.9	139.1	171	-162.7	174.6	41.4	0	0	108.9
155	K	91.9	Very high	88.4	Confident	70 Å²	70	71 Å²	71	30%	0.304	34%	0.336	S	S	.	.			trans	-134.5	149.4	172.1	-78.8	-147.2	177.2	-169.3	0	109.8	L148 F157 E189	L148-K155 HydrophobicContact CD1-CB 4.02Å; L148-K155 HydrophobicContact CD1-CD 4.42Å; L148-K155 HydrophobicContact CD1-CG 4.05Å; L148-K155 HydrophobicContact CD2-CG 4.43Å; K155-F157 HydrophobicContact CB-CE2 4.15Å; K155-F157 HydrophobicContact CB-CZ 4.04Å; K155-E189 IonicContact NZ-OE1 2.75Å; K155-E189 PolarHBondContact NZ-OE1 3.05Å; K155-E189 IonicContact NZ-OE2 3.82Å; K155-E189 PolarHBondContact NZ-OE2 2.85Å
156	T	94.4	Very high	87.2	Confident	0 Å²	0	76.5 Å²	76.5	0%	0	36%	0.363	C	S	.	.			trans	-95	141.3	170.9	-45.4	0	0	0	0	110.1	L172 I173 R174 Y190 E192 P236 L241	T156-L172 HydrophobicContact CG2-CB 4.45Å; T156-L172 HydrophobicContact CG2-CD2 4.07Å; T156-I173 WeakPolarHBondContact CA-O 3.36Å; T156-R174 HydrophobicContact CG2-CG 3.98Å; T156-R174 PolarHBondContact OG1-NE 2.96Å; T156-Y190 HydrophobicContact CG2-CD1 4.27Å; T156-Y190 HydrophobicContact CG2-CG 4.34Å; T156-Y190 WeakPolarHBondContact O-CB 3.34Å; T156-Y190 PolarHBondContact O-N 3.23Å; T156-E192 VanDerWaalsContact CB-OE1 3.3Å; T156-E192 WeakPolarHBondContact CB-OE1 3.36Å; T156-E192 PolarHBondContact N-OE1 2.86Å; T156-E192 PolarHBondContact OG1-OE1 3.43Å; T156-P236 HydrophobicContact CG2-CB 3.73Å; T156-P236 HydrophobicContact CG2-CG 3.8Å; T156-P236 VanDerWaalsContact OG1-CG 3.3Å; T156-P236 WeakPolarHBondContact OG1-CG 3.49Å; T156-L241 HydrophobicContact CG2-CD2 4.18Å
157	F	95.2	Very high	86	Confident	4 Å²	4	71.5 Å²	71.5	2%	0.018	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	148.6	175.9	-53.9	-88.6	0	0	0	109.8	W132 F141 Y144 V145 L148 K155 L172 I173 V187 Q188 E189	W132-F157 AromaticContact CH2-CE1 3.92Å; W132-F157 HydrophobicContact CH2-CE1 3.92Å; W132-F157 AromaticContact CZ3-CD1 3.96Å; W132-F157 HydrophobicContact CZ3-CD1 3.96Å; W132-F157 AromaticContact CZ3-CE1 3.72Å; W132-F157 HydrophobicContact CZ3-CE1 3.72Å; F141-F157 AromaticContact CE2-CD1 3.85Å; F141-F157 HydrophobicContact CE2-CD1 3.85Å; F141-F157 HydrophobicContact CE2-CD2 4.3Å; F141-F157 AromaticContact CE2-CE1 3.78Å; F141-F157 HydrophobicContact CE2-CE1 3.78Å; F141-F157 HydrophobicContact CE2-CE2 4.25Å; F141-F157 HydrophobicContact CE2-CG 4.11Å; F141-F157 AromaticContact CE2-CZ 3.98Å; F141-F157 HydrophobicContact CE2-CZ 3.98Å; F141-F157 HydrophobicContact CZ-CD2 4.32Å; F141-F157 HydrophobicContact CZ-CE2 4.4Å; F141-F157 HydrophobicContact CZ-CG 4.41Å; Y144-F157 HydrophobicContact CD1-CE1 4.27Å; Y144-F157 HydrophobicContact CD1-CZ 4.21Å; Y144-F157 AromaticContact CE1-CE1 3.92Å; Y144-F157 HydrophobicContact CE1-CE1 3.92Å; Y144-F157 AromaticContact CE1-CZ 3.92Å; Y144-F157 HydrophobicContact CE1-CZ 3.92Å; V145-F157 HydrophobicContact CG2-CE2 4.35Å; V145-F157 HydrophobicContact CG2-CZ 4.32Å; L148-F157 HydrophobicContact CD1-CZ 3.98Å; K155-F157 HydrophobicContact CB-CE2 4.15Å; K155-F157 HydrophobicContact CB-CZ 4.04Å; F157-L172 WeakPolarHBondContact O-CA 3.41Å; F157-I173 HydrophobicContact CB-CD1 4.31Å; F157-I173 HydrophobicContact CB-CG1 3.78Å; F157-I173 HydrophobicContact CD2-CG1 4.41Å; F157-I173 PolarHBondContact N-O 2.9Å; F157-I173 PolarHBondContact O-N 3.21Å; F157-V187 HydrophobicContact CB-CG1 3.81Å; F157-V187 HydrophobicContact CD1-CG1 4.2Å; F157-V187 HydrophobicContact CG-CG1 4.2Å; F157-Q188 CarbonylContact C-O 3.44Å; F157-Q188 VanDerWaalsContact CA-O 3.25Å; F157-Q188 WeakPolarHBondContact CA-O 3.37Å; F157-E189 HydrophobicContact CD1-CG 4.24Å; F157-E189 HydrophobicContact CE1-CG 4Å
158	I	94.4	Very high	85	Confident	13 Å²	13	73.4 Å²	73.4	7%	0.067	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	127.9	172.3	-173.3	168.1	0	0	0	108.7	K160 I170 S171 Q188 Y190 L248	I158-K160 HydrophobicContact CG1-CG 4.2Å; I158-I170 HydrophobicContact CD1-CG2 3.66Å; I158-I170 HydrophobicContact CG1-CG2 3.62Å; I158-S171 WeakPolarHBondContact CA-O 3.34Å; I158-Q188 HydrophobicContact CG2-CB 3.89Å; I158-Q188 HydrophobicContact CG2-CG 4.37Å; I158-Q188 PolarHBondContact N-O 2.88Å; I158-Q188 PolarHBondContact O-N 2.97Å; I158-Y190 HydrophobicContact CB-CD2 4.08Å; I158-Y190 HydrophobicContact CD1-CD2 4.33Å; I158-Y190 HydrophobicContact CG2-CD2 4.39Å; I158-L248 HydrophobicContact CD1-CD2 4.15Å
159	V	93.1	Very high	84.6	Confident	9 Å²	9	75.5 Å²	75.5	6%	0.055	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	130.3	179.2	-177.6	0	0	0	0	107.4	I170 S171 I173 L179 L185 I186	V159-I170 VanDerWaalsContact O-CA 3.31Å; V159-I170 WeakPolarHBondContact O-CA 3.27Å; V159-S171 PolarHBondContact N-O 2.7Å; V159-S171 PolarHBondContact O-N 2.95Å; V159-I173 HydrophobicContact CG2-CD1 3.98Å; V159-I173 HydrophobicContact CG2-CG1 4.2Å; V159-I173 HydrophobicContact CG2-CG2 4.22Å; V159-L179 HydrophobicContact CG2-CD1 4.4Å; V159-L179 HydrophobicContact CG2-CD2 3.9Å; V159-L185 HydrophobicContact CG1-CB 4.37Å; V159-L185 HydrophobicContact CG1-CD1 4.07Å; V159-L185 HydrophobicContact CG1-CD2 3.8Å; V159-L185 HydrophobicContact CG1-CG 4.31Å; V159-I186 WeakPolarHBondContact CA-O 3.48Å
160	K	91.7	Very high	84.5	Confident	14 Å²	14	72 Å²	72	6%	0.061	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	140.8	-178.5	-53.1	172.2	177.8	170.5	0	109.5	K107 I158 I170 L185 I186	K107-K160 HydrophobicContact CD-CB 4.41Å; K107-K160 HydrophobicContact CD-CD 4.5Å; I158-K160 HydrophobicContact CG1-CG 4.2Å; K160-I170 HydrophobicContact CB-CG1 4.49Å; K160-I170 HydrophobicContact CG-CD1 4.25Å; K160-I170 HydrophobicContact CG-CG1 4.2Å; K160-I170 HydrophobicContact CG-CG2 4.47Å; K160-L185 WeakPolarHBondContact O-CA 3.19Å; K160-L185 WeakPolarHBondContact O-CB 3.33Å; K160-I186 HydrophobicContact CB-CD1 4.34Å; K160-I186 HydrophobicContact CB-CG1 3.84Å; K160-I186 HydrophobicContact CD-CD1 4.18Å; K160-I186 PolarHBondContact N-O 2.92Å; K160-I186 PolarHBondContact O-N 2.87Å
161	P	87.6	Confident	84.4	Confident	42 Å²	42	66.1 Å²	66.1	27%	0.273	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	140.9	170.1	-17.4	30.2	0	0	0	110.3	N163 G164 H168	P161-N163 VanDerWaalsContact C-N 3.28Å; P161-N163 PolarHBondContact O-N 2.81Å; P161-G164 PolarHBondContact O-N 2.82Å; P161-H168 WeakPolarHBondContact CG-O 3.38Å
162	A	78.1	Confident	84.2	Confident	12 Å²	12	60.2 Å²	60.2	10%	0.099	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-38.7	-176.5	0	0	0	0	0	112.7	D108 H184	D108-A162 HydrophobicContact CB-CB 4.35Å; A162-H184 PolarHBondContact N-O 2.88Å
163	N	74.6	Confident	84.3	Confident	124 Å²	124	50 Å²	50	66%	0.663	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	13.9	179.1	-63.6	-26.7	0	0	0	113.1	P161	P161-N163 VanDerWaalsContact C-N 3.28Å; P161-N163 PolarHBondContact O-N 2.81Å
164	G	71	Confident	84.2	Confident	20 Å²	20	46.1 Å²	46.1	21%	0.206	26%	0.264	C	S	.	.			trans	-77.6	150.1	-177.1	0	0	0	0	0	113.1	K107 P161	K107-G164 PolarHBondContact NZ-O 3.42Å; P161-G164 PolarHBondContact O-N 2.82Å
165	A	68.9	Low	83.7	Confident	56 Å²	56	44.8 Å²	44.8	46%	0.463	26%	0.26	S	S	.	.			trans	-134.3	171.6	173.5	0	0	0	0	0	110.6	G167 H168	A165-G167 PolarHBondContact O-N 3.12Å; A165-H168 PolarHBondContact O-N 2.81Å
166	M	67.3	Low	82.6	Confident	125 Å²	125	41.5 Å²	41.5	62%	0.616	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	61	16.3	171.6	-56.2	-174.6	-173.4	0	0	116.1	H168 S252	M166-H168 VanDerWaalsContact C-N 3.31Å; M166-S252 VanDerWaalsContact C-OG 3.31Å; M166-S252 WeakPolarHBondContact CA-OG 3.43Å; M166-S252 WeakPolarHBondContact CB-OG 3.34Å; M166-S252 PolarHBondContact O-OG 2.94Å
167	G	66.6	Low	81.3	Confident	11 Å²	11	45.2 Å²	45.2	11%	0.113	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	-1	179.7	0	0	0	0	0	115.1	A165 I170	A165-G167 PolarHBondContact O-N 3.12Å; G167-I170 PolarHBondContact O-N 2.99Å
168	H	73.3	Confident	79.9	Confident	139 Å²	139	53.9 Å²	53.9	64%	0.644	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	136.4	179.5	-72.7	-65.1	0	0	0	112	P161 A165 M166 I170	P161-H168 WeakPolarHBondContact CG-O 3.38Å; A165-H168 PolarHBondContact O-N 2.81Å; M166-H168 VanDerWaalsContact C-N 3.31Å; H168-I170 PolarHBondContact O-N 2.88Å
169	G	82.3	Confident	79.1	Confident	58 Å²	58	54.2 Å²	54.2	60%	0.598	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.5	12.2	179.1	0	0	0	0	0	114.7
170	I	88.8	Confident	78.3	Confident	24 Å²	24	56.6 Å²	56.6	12%	0.123	32%	0.321	C	S	.	.			trans	-84.8	132.8	176.4	-59.8	-173.6	0	0	0	110.2	I158 V159 K160 G167 H168 L248	I158-I170 HydrophobicContact CD1-CG2 3.66Å; I158-I170 HydrophobicContact CG1-CG2 3.62Å; V159-I170 VanDerWaalsContact O-CA 3.31Å; V159-I170 WeakPolarHBondContact O-CA 3.27Å; K160-I170 HydrophobicContact CB-CG1 4.49Å; K160-I170 HydrophobicContact CG-CD1 4.25Å; K160-I170 HydrophobicContact CG-CG1 4.2Å; K160-I170 HydrophobicContact CG-CG2 4.47Å; G167-I170 PolarHBondContact O-N 2.99Å; H168-I170 PolarHBondContact O-N 2.88Å; I170-L248 HydrophobicContact CB-CD1 4.15Å; I170-L248 HydrophobicContact CG2-CD1 4.14Å; I170-L248 HydrophobicContact CG2-CD2 3.76Å
171	S	90.6	Very high	77.6	Confident	52 Å²	52	58.2 Å²	58.2	36%	0.364	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	158.6	174.2	63.8	0	0	0	0	111.5	I158 V159	I158-S171 WeakPolarHBondContact CA-O 3.34Å; V159-S171 PolarHBondContact N-O 2.7Å; V159-S171 PolarHBondContact O-N 2.95Å
172	L	92	Very high	77.2	Confident	11 Å²	11	63 Å²	63	6%	0.058	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	142.6	173.2	-75	80.4	0	0	0	110.2	T156 F157 Y190 P236 L241 L244 H247	T156-L172 HydrophobicContact CG2-CB 4.45Å; T156-L172 HydrophobicContact CG2-CD2 4.07Å; F157-L172 WeakPolarHBondContact O-CA 3.41Å; L172-Y190 HydrophobicContact CD2-CD1 4.39Å; L172-Y190 HydrophobicContact CD2-CD2 4.05Å; L172-Y190 HydrophobicContact CD2-CE1 4.25Å; L172-Y190 HydrophobicContact CD2-CE2 3.9Å; L172-Y190 HydrophobicContact CD2-CG 4.28Å; L172-P236 HydrophobicContact CD2-CB 4.37Å; L172-L241 HydrophobicContact CB-CB 4.36Å; L172-L241 HydrophobicContact CB-CD2 3.94Å; L172-L244 HydrophobicContact CD1-CD2 3.95Å; L172-H247 HydrophobicContact CD1-CB 4.05Å; L172-H247 HydrophobicContact CD2-CB 4.25Å
173	I	91.3	Very high	77.4	Confident	27 Å²	27	66.5 Å²	66.5	14%	0.138	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	146.7	176.4	66.8	173.4	0	0	0	110.6	T156 F157 V159 L179	T156-I173 WeakPolarHBondContact CA-O 3.36Å; F157-I173 HydrophobicContact CB-CD1 4.31Å; F157-I173 HydrophobicContact CB-CG1 3.78Å; F157-I173 HydrophobicContact CD2-CG1 4.41Å; F157-I173 PolarHBondContact N-O 2.9Å; F157-I173 PolarHBondContact O-N 3.21Å; V159-I173 HydrophobicContact CG2-CD1 3.98Å; V159-I173 HydrophobicContact CG2-CG1 4.2Å; V159-I173 HydrophobicContact CG2-CG2 4.22Å; I173-L179 HydrophobicContact CD1-CD1 3.45Å; I173-L179 VanDerWaalsContact CD1-CD1 3.45Å; I173-L179 HydrophobicContact CD1-CD2 3.94Å; I173-L179 HydrophobicContact CD1-CG 3.67Å
174	R	87.6	Confident	78.1	Confident	55 Å²	55	67.6 Å²	67.6	21%	0.208	37%	0.371	C	S	.	.	S	Bend	trans	-114.2	-15.8	168.2	-68.3	-176.7	110.3	-151.2	0.4	113.2	T156 P236 L241	T156-R174 HydrophobicContact CG2-CG 3.98Å; T156-R174 PolarHBondContact OG1-NE 2.96Å; R174-P236 PolarHBondContact NE-O 2.9Å; R174-P236 PolarHBondContact NH2-O 3.38Å; R174-L241 HydrophobicContact CB-CD1 4.44Å; R174-L241 HydrophobicContact CG-CD1 4.12Å; R174-L241 HydrophobicContact CG-CD2 3.99Å
175	N	76.1	Confident	79.1	Confident	75 Å²	75	67.3 Å²	67.3	40%	0.401	37%	0.365	S	S	.	.			trans	-112.6	114.6	172.6	-169.8	-5.9	0	0	0	110	D177	N175-D177 VanDerWaalsContact C-N 3.27Å; N175-D177 PolarHBondContact O-N 3.49Å; N175-D177 WeakPolarHBondContact OD1-CB 3.33Å; N175-D177 PolarHBondContact OD1-N 3.26Å; N175-D177 VanDerWaalsContact OD1-N 3.12Å; N175-D177 PolarHBondContact OD1-OD2 3.43Å
176	G	68.9	Low	80.3	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-77.3	-5.2	-179.1	0	0	0	0	0	115.1	Q142 K178	Q142-G176 PolarHBondContact NE2-O 2.94Å; G176-K178 VanDerWaalsContact C-N 3.28Å; G176-K178 PolarHBondContact O-N 3.02Å
177	D	67.6	Low	81.6	Confident	79 Å²	79	58.9 Å²	58.9	42%	0.422	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-73.8	-17	-175.5	-56.3	-26.5	0	0	0	113.4	K149 N175	K149-D177 IonicContact NZ-OD1 3.77Å; K149-D177 PolarHBondContact NZ-OD1 2.72Å; K149-D177 IonicContact NZ-OD2 2.81Å; K149-D177 PolarHBondContact NZ-OD2 2.74Å; N175-D177 VanDerWaalsContact C-N 3.27Å; N175-D177 PolarHBondContact O-N 3.49Å; N175-D177 WeakPolarHBondContact OD1-CB 3.33Å; N175-D177 PolarHBondContact OD1-N 3.26Å; N175-D177 VanDerWaalsContact OD1-N 3.12Å; N175-D177 PolarHBondContact OD1-OD2 3.43Å
178	K	65.3	Low	83	Confident	185 Å²	185	58.9 Å²	58.9	80%	0.804	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-102.4	11.1	-170.7	-65.8	-171.2	177.8	-176.4	0	114.9	G176	G176-K178 VanDerWaalsContact C-N 3.28Å; G176-K178 PolarHBondContact O-N 3.02Å
179	L	78.3	Confident	84.1	Confident	20 Å²	20	53.7 Å²	53.7	11%	0.105	29%	0.287	C	S	.	.	S	Bend	trans	-84.4	132.9	-178.7	-75.5	179.4	0	0	0	112.1	F134 F141 V159 I173 S181 V187	F134-L179 HydrophobicContact CE2-CB 4.06Å; F134-L179 HydrophobicContact CE2-CD1 3.98Å; F134-L179 HydrophobicContact CZ-CD1 4.16Å; F141-L179 HydrophobicContact CE1-CD1 3.98Å; F141-L179 HydrophobicContact CZ-CD1 4.33Å; V159-L179 HydrophobicContact CG2-CD1 4.4Å; V159-L179 HydrophobicContact CG2-CD2 3.9Å; I173-L179 HydrophobicContact CD1-CD1 3.45Å; I173-L179 VanDerWaalsContact CD1-CD1 3.45Å; I173-L179 HydrophobicContact CD1-CD2 3.94Å; I173-L179 HydrophobicContact CD1-CG 3.67Å; L179-S181 PolarHBondContact O-N 2.91Å; L179-V187 HydrophobicContact CD1-CG1 4.4Å; L179-V187 HydrophobicContact CD1-CG2 3.56Å
180	P	77.3	Confident	84.8	Confident	60 Å²	60	51.9 Å²	51.9	39%	0.39	26%	0.262	S	S	.	.			trans	-61	130.8	173	25.5	-32.8	0	0	0	110	D183	P180-D183 HydrophobicContact CG-CB 4.16Å; P180-D183 WeakPolarHBondContact CG-OD2 3.25Å
181	S	76.9	Confident	85.2	Confident	48 Å²	48	51.8 Å²	51.8	34%	0.336	26%	0.262	S	S	.	.	S	Bend	trans	-80.8	-14.4	-171	57.7	0	0	0	0	114.2	P135 L179	P135-S181 WeakPolarHBondContact CB-O 3.4Å; L179-S181 PolarHBondContact O-N 2.91Å
182	Q	78.9	Confident	85.4	Confident	142 Å²	142	52 Å²	52	66%	0.664	26%	0.257	S	S	*	.	S	Bend	trans	-106.1	-9.4	-173.6	-63.1	-62.1	-31.2	0	0	113.8
183	D	82.5	Confident	85.6	Confident	85 Å²	85	56.9 Å²	56.9	46%	0.455	28%	0.278	S	S	.	.	S	Bend	trans	-73.6	140.1	-175.6	-71.9	8.2	0	0	0	111.7	F134 P180 L185	F134-D183 CarbonylContact C-O 3.52Å; F134-D183 WeakPolarHBondContact CB-O 3.49Å; P180-D183 HydrophobicContact CG-CB 4.16Å; P180-D183 WeakPolarHBondContact CG-OD2 3.25Å; D183-L185 HydrophobicContact CB-CD2 3.81Å; D183-L185 HydrophobicContact CB-CG 4.32Å; D183-L185 PolarHBondContact O-N 2.54Å
184	H	88.1	Confident	86	Confident	147 Å²	147	56 Å²	56	68%	0.681	27%	0.274	S	S	*	.			trans	-81.2	80.1	176.1	-70.4	-53.9	0	0	0	111.9	P135 A162	P135-H184 WeakPolarHBondContact CD-ND1 3.48Å; A162-H184 PolarHBondContact N-O 2.88Å
185	L	91.7	Very high	86.4	Confident	15 Å²	15	54.4 Å²	54.4	8%	0.079	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	169.3	-178.6	60.7	80.2	0	0	0	112	F134 V159 K160 D183 V187	F134-L185 HydrophobicContact CB-CD1 3.7Å; F134-L185 HydrophobicContact CB-CG 3.96Å; F134-L185 HydrophobicContact CD1-CD1 4.3Å; F134-L185 HydrophobicContact CD2-CD1 3.65Å; F134-L185 HydrophobicContact CD2-CG 4.25Å; F134-L185 HydrophobicContact CE2-CD1 4.32Å; F134-L185 HydrophobicContact CG-CD1 3.63Å; F134-L185 HydrophobicContact CG-CG 4.33Å; F134-L185 PolarHBondContact N-O 3.31Å; V159-L185 HydrophobicContact CG1-CB 4.37Å; V159-L185 HydrophobicContact CG1-CD1 4.07Å; V159-L185 HydrophobicContact CG1-CD2 3.8Å; V159-L185 HydrophobicContact CG1-CG 4.31Å; K160-L185 WeakPolarHBondContact O-CA 3.19Å; K160-L185 WeakPolarHBondContact O-CB 3.33Å; D183-L185 HydrophobicContact CB-CD2 3.81Å; D183-L185 HydrophobicContact CB-CG 4.32Å; D183-L185 PolarHBondContact O-N 2.54Å; L185-V187 HydrophobicContact CD1-CG2 3.47Å; L185-V187 VanDerWaalsContact CD1-CG2 3.47Å
186	I	94.1	Very high	87.4	Confident	4 Å²	4	53.9 Å²	53.9	2%	0.021	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	140.1	163.3	64.3	155.3	0	0	0	109.6	K107 D108 T131 W132 I133 V159 K160	K107-I186 HydrophobicContact CB-CD1 3.83Å; K107-I186 HydrophobicContact CB-CG1 4.46Å; K107-I186 HydrophobicContact CD-CD1 4.2Å; K107-I186 HydrophobicContact CG-CD1 4.47Å; D108-I186 HydrophobicContact CB-CG2 4.42Å; T131-I186 HydrophobicContact CG2-CB 4.04Å; T131-I186 HydrophobicContact CG2-CD1 3.93Å; W132-I186 CarbonylContact O-C 3.48Å; W132-I186 WeakPolarHBondContact O-CA 3.29Å; I133-I186 HydrophobicContact CG1-CG2 4.42Å; V159-I186 WeakPolarHBondContact CA-O 3.48Å; K160-I186 HydrophobicContact CB-CD1 4.34Å; K160-I186 HydrophobicContact CB-CG1 3.84Å; K160-I186 HydrophobicContact CD-CD1 4.18Å; K160-I186 PolarHBondContact N-O 2.92Å; K160-I186 PolarHBondContact O-N 2.87Å
187	V	95.3	Very high	88.5	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	128.3	169.5	-173.9	0	0	0	0	107.2	T131 W132 F134 F141 F157 L179 L185	T131-V187 CarbonylContact C-O 3.5Å; T131-V187 WeakPolarHBondContact CA-O 3.42Å; W132-V187 PolarHBondContact N-O 3.39Å; W132-V187 PolarHBondContact O-N 2.95Å; F134-V187 HydrophobicContact CD1-CG2 4.1Å; F134-V187 HydrophobicContact CD2-CG2 4.47Å; F134-V187 HydrophobicContact CE1-CB 4.44Å; F134-V187 HydrophobicContact CE1-CG2 3.73Å; F134-V187 HydrophobicContact CE2-CG2 4.1Å; F134-V187 HydrophobicContact CG-CG2 4.46Å; F134-V187 HydrophobicContact CZ-CG2 3.73Å; F141-V187 HydrophobicContact CD2-CG1 4.08Å; F141-V187 HydrophobicContact CE2-CB 4.45Å; F141-V187 HydrophobicContact CE2-CG1 3.57Å; F141-V187 HydrophobicContact CZ-CG1 3.9Å; F157-V187 HydrophobicContact CB-CG1 3.81Å; F157-V187 HydrophobicContact CD1-CG1 4.2Å; F157-V187 HydrophobicContact CG-CG1 4.2Å; L179-V187 HydrophobicContact CD1-CG1 4.4Å; L179-V187 HydrophobicContact CD1-CG2 3.56Å; L185-V187 HydrophobicContact CD1-CG2 3.47Å; L185-V187 VanDerWaalsContact CD1-CG2 3.47Å
188	Q	96.5	Very high	89.6	Confident	11 Å²	11	55 Å²	55	5%	0.051	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	142.8	-176.3	-179.9	173.7	78.6	0	0	110.2	P129 R130 T131 F157 I158 Y190	P129-Q188 HydrophobicContact CB-CG 3.73Å; P129-Q188 HydrophobicContact CG-CG 4.49Å; R130-Q188 CarbonylContact O-C 3.6Å; R130-Q188 WeakPolarHBondContact O-CA 3.28Å; T131-Q188 HydrophobicContact CG2-CB 4.2Å; T131-Q188 WeakPolarHBondContact OG1-CG 3.49Å; T131-Q188 PolarHBondContact OG1-NE2 3.1Å; F157-Q188 CarbonylContact C-O 3.44Å; F157-Q188 VanDerWaalsContact CA-O 3.25Å; F157-Q188 WeakPolarHBondContact CA-O 3.37Å; I158-Q188 HydrophobicContact CG2-CB 3.89Å; I158-Q188 HydrophobicContact CG2-CG 4.37Å; I158-Q188 PolarHBondContact N-O 2.88Å; I158-Q188 PolarHBondContact O-N 2.97Å; Q188-Y190 PolarHBondContact O-N 3.16Å
189	E	96.1	Very high	90.9	Very high	30 Å²	30	47.5 Å²	47.5	14%	0.14	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	129.3	171	-72.3	-166.2	162.4	0	0	110.4	R130 W132 Y144 K155 F157	R130-E189 HydrophobicContact CB-CG 3.98Å; R130-E189 PolarHBondContact O-N 2.97Å; W132-E189 HydrophobicContact CH2-CG 3.92Å; W132-E189 HydrophobicContact CZ3-CG 3.88Å; Y144-E189 WeakPolarHBondContact CE1-OE1 3.45Å; Y144-E189 VanDerWaalsContact CZ-OE1 3.28Å; Y144-E189 PolarHBondContact OH-OE1 3.32Å; K155-E189 IonicContact NZ-OE1 2.75Å; K155-E189 PolarHBondContact NZ-OE1 3.05Å; K155-E189 IonicContact NZ-OE2 3.82Å; K155-E189 PolarHBondContact NZ-OE2 2.85Å; F157-E189 HydrophobicContact CD1-CG 4.24Å; F157-E189 HydrophobicContact CE1-CG 4Å
190	Y	96.6	Very high	91.6	Very high	19 Å²	19	49.5 Å²	49.5	8%	0.075	25%	0.25	C	C	.	.			trans	-83.2	136.4	178.5	-175.3	-100.6	0	0	0	110.7	T156 I158 L172 Q188 E192 K201 Y233 P236 H247	T156-Y190 HydrophobicContact CG2-CD1 4.27Å; T156-Y190 HydrophobicContact CG2-CG 4.34Å; T156-Y190 WeakPolarHBondContact O-CB 3.34Å; T156-Y190 PolarHBondContact O-N 3.23Å; I158-Y190 HydrophobicContact CB-CD2 4.08Å; I158-Y190 HydrophobicContact CD1-CD2 4.33Å; I158-Y190 HydrophobicContact CG2-CD2 4.39Å; L172-Y190 HydrophobicContact CD2-CD1 4.39Å; L172-Y190 HydrophobicContact CD2-CD2 4.05Å; L172-Y190 HydrophobicContact CD2-CE1 4.25Å; L172-Y190 HydrophobicContact CD2-CE2 3.9Å; L172-Y190 HydrophobicContact CD2-CG 4.28Å; Q188-Y190 PolarHBondContact O-N 3.16Å; Y190-E192 HydrophobicContact CD1-CG 4.03Å; Y190-E192 PolarHBondContact O-N 3.24Å; Y190-E192 VanDerWaalsContact O-N 3.13Å; Y190-K201 PolarHBondContact OH-NZ 3.3Å; Y190-Y233 WeakPolarHBondContact OH-CE2 3.49Å; Y190-P236 HydrophobicContact CD1-CG 3.86Å; Y190-P236 HydrophobicContact CE1-CG 3.86Å; Y190-H247 PolarHBondContact OH-ND1 2.97Å
191	I	97	Very high	92.5	Very high	23 Å²	23	47.2 Å²	47.2	12%	0.118	23%	0.234	C	C	.	.			trans	-81.6	94.5	176.8	-63	157.1	0	0	0	108.1	P129 K193 L338 D340 W346 L348	P129-I191 HydrophobicContact CG-CD1 3.96Å; P129-I191 HydrophobicContact CG-CG1 4.44Å; I191-K193 VanDerWaalsContact C-N 3.33Å; I191-K193 PolarHBondContact O-N 3.48Å; I191-L338 HydrophobicContact CB-CD2 3.86Å; I191-L338 HydrophobicContact CD1-CB 4.4Å; I191-L338 HydrophobicContact CD1-CD2 3.79Å; I191-L338 HydrophobicContact CD1-CG 4.4Å; I191-L338 HydrophobicContact CG1-CD2 4.44Å; I191-L338 HydrophobicContact CG2-CD2 4.08Å; I191-D340 HydrophobicContact CG2-CB 4.16Å; I191-W346 HydrophobicContact CD1-CB 3.45Å; I191-W346 VanDerWaalsContact CD1-CB 3.45Å; I191-W346 HydrophobicContact CD1-CD2 4Å; I191-W346 HydrophobicContact CD1-CG 3.51Å; I191-W346 HydrophobicContact CG1-CD2 4.45Å; I191-W346 HydrophobicContact CG1-CG 4.36Å; I191-L348 HydrophobicContact CD1-CD2 4.29Å
192	E	95.4	Very high	93.4	Very high	56 Å²	56	45 Å²	45	26%	0.262	22%	0.218	S	C	.	.	S	Bend	trans	-72.4	-21	-171.2	-63.1	-177.5	172.8	0	0	114.6	T156 Y190 P194 Y233 P236	T156-E192 VanDerWaalsContact CB-OE1 3.3Å; T156-E192 WeakPolarHBondContact CB-OE1 3.36Å; T156-E192 PolarHBondContact N-OE1 2.86Å; T156-E192 PolarHBondContact OG1-OE1 3.43Å; Y190-E192 HydrophobicContact CD1-CG 4.03Å; Y190-E192 PolarHBondContact O-N 3.24Å; Y190-E192 VanDerWaalsContact O-N 3.13Å; E192-P194 VanDerWaalsContact C-CD 3.41Å; E192-P194 WeakPolarHBondContact O-CD 3.32Å; E192-Y233 VanDerWaalsContact C-OH 3.28Å; E192-Y233 WeakPolarHBondContact O-CE1 3.5Å; E192-Y233 PolarHBondContact O-OH 2.9Å; E192-P236 HydrophobicContact CB-CG 4.43Å; E192-P236 HydrophobicContact CG-CG 3.9Å
193	K	97.1	Very high	94.2	Very high	114 Å²	114	38.3 Å²	38.3	50%	0.496	19%	0.187	S	C	.	.	S	Bend	trans	-123.2	68.3	-177.9	-60.9	-175.9	-177.3	-176	0	110.4	I191 R341	I191-K193 VanDerWaalsContact C-N 3.33Å; I191-K193 PolarHBondContact O-N 3.48Å; K193-R341 HydrophobicContact CB-CB 4.42Å; K193-R341 HydrophobicContact CB-CG 4.05Å; K193-R341 PolarHBondContact O-N 3.45Å
194	P	97.8	Very high	94.9	Very high	7 Å²	7	34.2 Å²	34.2	5%	0.045	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-65.1	159.2	174.5	30.9	-34.9	0	0	0	110.7	E192 L196 K201 Y233 L338 L339	E192-P194 VanDerWaalsContact C-CD 3.41Å; E192-P194 WeakPolarHBondContact O-CD 3.32Å; P194-L196 HydrophobicContact CG-CD2 3.87Å; P194-K201 HydrophobicContact CB-CG 4.28Å; P194-K201 HydrophobicContact CG-CD 4.38Å; P194-K201 HydrophobicContact CG-CG 4.12Å; P194-Y233 VanDerWaalsContact CD-CE1 3.49Å; P194-Y233 HydrophobicContact CG-CD1 4.05Å; P194-Y233 HydrophobicContact CG-CD2 4.36Å; P194-Y233 HydrophobicContact CG-CE1 3.76Å; P194-Y233 HydrophobicContact CG-CE2 4.1Å; P194-Y233 HydrophobicContact CG-CG 4.32Å; P194-L338 HydrophobicContact CB-CD1 4.07Å; P194-L338 HydrophobicContact CB-CD2 4.48Å; P194-L338 HydrophobicContact CB-CG 4.5Å; P194-L339 CarbonylContact C-O 2.75Å; P194-L339 WeakPolarHBondContact CA-O 3.44Å
195	F	98	Very high	95.4	Very high	23 Å²	23	28.1 Å²	28.1	10%	0.101	14%	0.136	C	C	.	.			trans	-66.8	134.3	162.5	-168.8	-101.6	0	0	0	108.2	F202 F277 F280 L281 H286 L339 D340 L343	F195-F202 AromaticContact CD1-CE1 3.7Å; F195-F202 HydrophobicContact CD1-CE1 3.7Å; F195-F202 AromaticContact CD1-CZ 3.67Å; F195-F202 HydrophobicContact CD1-CZ 3.67Å; F195-F202 HydrophobicContact CE1-CE1 4.45Å; F195-F202 HydrophobicContact CE1-CZ 4.4Å; F195-F277 HydrophobicContact CE1-CE2 4.2Å; F195-F280 HydrophobicContact CE1-CE1 4.02Å; F195-F280 HydrophobicContact CZ-CE1 4.32Å; F195-L281 HydrophobicContact CE1-CD2 4.06Å; F195-L281 HydrophobicContact CZ-CD2 4.01Å; F195-H286 AromaticContact CE2-NE2 3.61Å; F195-H286 AromaticContact CZ-CD2 3.88Å; F195-H286 AromaticContact CZ-NE2 3.59Å; F195-L339 HydrophobicContact CB-CB 3.95Å; F195-L339 PolarHBondContact N-O 3.03Å; F195-D340 WeakPolarHBondContact CB-O 3.47Å; F195-D340 VanDerWaalsContact N-C 3.35Å; F195-L343 HydrophobicContact CB-CD2 4.37Å; F195-L343 HydrophobicContact CD1-CD2 3.97Å; F195-L343 HydrophobicContact CD2-CD2 3.59Å; F195-L343 HydrophobicContact CD2-CG 3.99Å; F195-L343 HydrophobicContact CE1-CD2 4.1Å; F195-L343 HydrophobicContact CE2-CD1 4.45Å; F195-L343 HydrophobicContact CE2-CD2 3.75Å; F195-L343 HydrophobicContact CE2-CG 4.05Å; F195-L343 HydrophobicContact CG-CD2 3.71Å; F195-L343 HydrophobicContact CZ-CD2 4Å
196	L	96.5	Very high	95.7	Very high	64 Å²	64	27.4 Å²	27.4	34%	0.335	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	137.1	-176.2	-60.8	-179.1	0	0	0	109.8	P194 Y200 K201 Y233	P194-L196 HydrophobicContact CG-CD2 3.87Å; L196-Y200 WeakPolarHBondContact CA-O 3.44Å; L196-K201 HydrophobicContact CD2-CB 4.36Å; L196-Y233 HydrophobicContact CD1-CD1 4.12Å; L196-Y233 HydrophobicContact CD2-CD1 3.79Å; L196-Y233 HydrophobicContact CD2-CG 3.79Å
197	M	92.6	Very high	96	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	111.2	172.4	-174.7	-178.3	-57.4	0	0	107.3	G199 Y200 F202 V226 M228 W276 F277 F280	M197-G199 PolarHBondContact O-N 3.28Å; M197-Y200 PolarHBondContact N-O 3.37Å; M197-Y200 WeakPolarHBondContact O-CB 3.47Å; M197-Y200 PolarHBondContact O-N 2.99Å; M197-F202 HydrophobicContact CB-CD1 3.73Å; M197-F202 HydrophobicContact CB-CE1 3.77Å; M197-F202 HydrophobicContact CE-CD1 4Å; M197-F202 HydrophobicContact CE-CE1 3.85Å; M197-F202 HydrophobicContact CE-CE2 4.37Å; M197-F202 HydrophobicContact CE-CG 4.32Å; M197-F202 HydrophobicContact CE-CZ 4.03Å; M197-V226 HydrophobicContact CE-CG1 4.04Å; M197-M228 HydrophobicContact SD-SD 3.98Å; M197-W276 HydrophobicContact CE-CH2 4.21Å; M197-W276 HydrophobicContact CE-CZ3 3.64Å; M197-W276 HydrophobicContact CG-CH2 4.3Å; M197-W276 HydrophobicContact SD-CH2 3.49Å; M197-W276 WeakPolarHBondContact SD-CH2 3.46Å; M197-W276 HydrophobicContact SD-CZ3 3.36Å; M197-W276 WeakPolarHBondContact SD-CZ3 3.49Å; M197-F277 HydrophobicContact CE-CD2 3.37Å; M197-F277 HydrophobicContact CE-CE2 3.81Å; M197-F277 HydrophobicContact CE-CG 4.34Å; M197-F280 HydrophobicContact CG-CE2 4.48Å; M197-F280 HydrophobicContact CG-CZ 4.33Å
198	E	89.9	Confident	96.1	Very high	102 Å²	102	27.2 Å²	27.2	48%	0.477	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	27.3	-179.1	-61.2	153.6	-154.8	0	0	113.2	Y200 R272	E198-Y200 HydrophobicContact CB-CD2 4.48Å; E198-R272 IonicContact OE1-CZ 3.11Å; E198-R272 IonicContact OE1-NH1 3.73Å; E198-R272 PolarHBondContact OE1-NH1 3.3Å; E198-R272 IonicContact OE1-NH2 2.81Å; E198-R272 IonicContact OE2-CZ 2.82Å; E198-R272 IonicContact OE2-NH1 3.81Å; E198-R272 IonicContact OE2-NH2 3.42Å; E198-R272 PolarHBondContact OE2-NH2 3.41Å
199	G	92.7	Very high	96.2	Very high	27 Å²	27	26.7 Å²	26.7	28%	0.278	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.1	-2	-176.9	0	0	0	0	0	115	M197 Y233	M197-G199 PolarHBondContact O-N 3.28Å; G199-Y233 PolarHBondContact O-N 3.48Å
200	Y	92.6	Very high	96.4	Very high	62 Å²	62	25.5 Å²	25.5	24%	0.243	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	141	176.7	-65.2	-91.7	0	0	0	111.7	L196 M197 E198 M228 G229 E231 K232	L196-Y200 WeakPolarHBondContact CA-O 3.44Å; M197-Y200 PolarHBondContact N-O 3.37Å; M197-Y200 WeakPolarHBondContact O-CB 3.47Å; M197-Y200 PolarHBondContact O-N 2.99Å; E198-Y200 HydrophobicContact CB-CD2 4.48Å; Y200-M228 HydrophobicContact CD2-CE 4.01Å; Y200-M228 HydrophobicContact CG-CE 4Å; Y200-G229 VanDerWaalsContact CD1-O 3.28Å; Y200-G229 WeakPolarHBondContact CD1-O 3.48Å; Y200-E231 WeakPolarHBondContact CD1-O 3.41Å; Y200-K232 HydrophobicContact CE1-CG 4.19Å; Y200-K232 HydrophobicContact CE2-CG 4.07Å
201	K	95.9	Very high	96.4	Very high	12 Å²	12	24.8 Å²	24.8	5%	0.052	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	142.1	167.2	-178.7	-178.2	178.3	-177.2	0	108.6	Y190 P194 L196 G229 Y233 H247 T249	Y190-K201 PolarHBondContact OH-NZ 3.3Å; P194-K201 HydrophobicContact CB-CG 4.28Å; P194-K201 HydrophobicContact CG-CD 4.38Å; P194-K201 HydrophobicContact CG-CG 4.12Å; L196-K201 HydrophobicContact CD2-CB 4.36Å; K201-G229 PolarHBondContact O-N 2.81Å; K201-Y233 HydrophobicContact CB-CD2 3.85Å; K201-Y233 HydrophobicContact CB-CG 4.21Å; K201-Y233 HydrophobicContact CD-CD2 4.01Å; K201-Y233 HydrophobicContact CD-CE2 4.07Å; K201-Y233 HydrophobicContact CG-CD2 4.41Å; K201-H247 PolarHBondContact NZ-O 3.28Å; K201-T249 HydrophobicContact CB-CG2 4.38Å; K201-T249 HydrophobicContact CD-CG2 4.26Å; K201-T249 HydrophobicContact CG-CG2 3.92Å
202	F	95.8	Very high	96.4	Very high	1 Å²	1	23.8 Å²	23.8	0%	0.004	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	161.3	172.6	65.9	-88.6	0	0	0	111.3	F195 M197 L204 V226 R227 M228 F277 L338 L339	F195-F202 AromaticContact CD1-CE1 3.7Å; F195-F202 HydrophobicContact CD1-CE1 3.7Å; F195-F202 AromaticContact CD1-CZ 3.67Å; F195-F202 HydrophobicContact CD1-CZ 3.67Å; F195-F202 HydrophobicContact CE1-CE1 4.45Å; F195-F202 HydrophobicContact CE1-CZ 4.4Å; M197-F202 HydrophobicContact CB-CD1 3.73Å; M197-F202 HydrophobicContact CB-CE1 3.77Å; M197-F202 HydrophobicContact CE-CD1 4Å; M197-F202 HydrophobicContact CE-CE1 3.85Å; M197-F202 HydrophobicContact CE-CE2 4.37Å; M197-F202 HydrophobicContact CE-CG 4.32Å; M197-F202 HydrophobicContact CE-CZ 4.03Å; F202-L204 HydrophobicContact CD2-CD2 4.05Å; F202-L204 HydrophobicContact CD2-CG 4.46Å; F202-L204 HydrophobicContact CE2-CD2 3.86Å; F202-L204 HydrophobicContact CE2-CG 4.21Å; F202-V226 HydrophobicContact CB-CG1 3.96Å; F202-V226 HydrophobicContact CD2-CG1 3.65Å; F202-V226 HydrophobicContact CE2-CG1 4.38Å; F202-V226 HydrophobicContact CG-CG1 3.95Å; F202-R227 CarbonylContact C-O 3.57Å; F202-R227 WeakPolarHBondContact CA-O 3.41Å; F202-R227 VanDerWaalsContact CB-O 3.32Å; F202-R227 WeakPolarHBondContact CB-O 3.49Å; F202-M228 HydrophobicContact CB-CG 4.05Å; F202-F277 HydrophobicContact CE1-CE2 4.44Å; F202-F277 HydrophobicContact CE2-CE2 4.02Å; F202-F277 AromaticContact CE2-CZ 4Å; F202-F277 HydrophobicContact CE2-CZ 4Å; F202-F277 HydrophobicContact CZ-CD2 4.38Å; F202-F277 AromaticContact CZ-CE2 3.57Å; F202-F277 HydrophobicContact CZ-CE2 3.57Å; F202-F277 AromaticContact CZ-CZ 3.74Å; F202-F277 HydrophobicContact CZ-CZ 3.74Å; F202-L338 WeakPolarHBondContact O-CD1 3.46Å; F202-L339 HydrophobicContact CE2-CD1 4.44Å; F202-L339 HydrophobicContact CZ-CD1 4.44Å
203	D	96.4	Very high	96.3	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.011	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	161.6	165.9	81.2	75	0	0	0	110.7	R227 T249	D203-R227 VanDerWaalsContact CG-NH2 3.26Å; D203-R227 PolarHBondContact N-O 2.84Å; D203-R227 PolarHBondContact O-N 3.32Å; D203-R227 IonicContact OD1-CZ 3.81Å; D203-R227 IonicContact OD1-NE 3.62Å; D203-R227 PolarHBondContact OD1-NE 3.05Å; D203-R227 IonicContact OD1-NH2 2.96Å; D203-R227 PolarHBondContact OD1-NH2 3.15Å; D203-R227 IonicContact OD2-CZ 3.83Å; D203-R227 IonicContact OD2-NE 2.89Å; D203-R227 PolarHBondContact OD2-NE 3.27Å; D203-R227 VanDerWaalsContact OD2-NE 3.11Å; D203-R227 IonicContact OD2-NH2 3.21Å; D203-R227 PolarHBondContact OD2-NH2 3.05Å; D203-T249 WeakPolarHBondContact CB-OG1 3.41Å; D203-T249 WeakPolarHBondContact OD2-CB 3.32Å; D203-T249 PolarHBondContact OD2-OG1 3.48Å
204	L	97.9	Very high	96	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	126.1	177.8	-59	179.4	0	0	0	110.1	F202 I206 V226 I274 F277 F291 F335 D336 I337 L339	F202-L204 HydrophobicContact CD2-CD2 4.05Å; F202-L204 HydrophobicContact CD2-CG 4.46Å; F202-L204 HydrophobicContact CE2-CD2 3.86Å; F202-L204 HydrophobicContact CE2-CG 4.21Å; L204-I206 HydrophobicContact CB-CG1 4.25Å; L204-V226 HydrophobicContact CD2-CB 4.37Å; L204-V226 HydrophobicContact CD2-CG1 4.35Å; L204-V226 HydrophobicContact CD2-CG2 3.7Å; L204-I274 HydrophobicContact CB-CD1 4.31Å; L204-I274 HydrophobicContact CD2-CD1 4.29Å; L204-I274 HydrophobicContact CD2-CG1 4.19Å; L204-F277 HydrophobicContact CD1-CE1 4.22Å; L204-F277 HydrophobicContact CD2-CD1 4.17Å; L204-F277 HydrophobicContact CD2-CE1 4.33Å; L204-F291 HydrophobicContact CD1-CE2 3.65Å; L204-F291 HydrophobicContact CD1-CZ 3.77Å; L204-F335 VanDerWaalsContact O-O 3.11Å; L204-D336 WeakPolarHBondContact O-CA 2.98Å; L204-I337 HydrophobicContact CB-CB 4.42Å; L204-I337 PolarHBondContact N-O 3.37Å; L204-I337 PolarHBondContact O-N 2.7Å; L204-L339 HydrophobicContact CD1-CD1 4Å; L204-L339 HydrophobicContact CD1-CD2 4.29Å; L204-L339 HydrophobicContact CD1-CG 4.02Å
205	R	97.9	Very high	95.7	Very high	19 Å²	19	21.6 Å²	21.6	7%	0.072	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	107.5	163.9	171.6	58.3	57.1	70.7	-3.1	108.9	Y207 G224 L225 F335 D336 N351	R205-Y207 HydrophobicContact CG-CE2 4Å; R205-G224 WeakPolarHBondContact O-CA 3.37Å; R205-L225 HydrophobicContact CB-CB 4.1Å; R205-L225 PolarHBondContact N-O 3.23Å; R205-L225 PolarHBondContact O-N 3.43Å; R205-F335 WeakPolarHBondContact CA-O 3.49Å; R205-D336 IonicContact CZ-OD1 3.56Å; R205-D336 IonicContact NE-OD1 2.75Å; R205-D336 PolarHBondContact NE-OD1 3.43Å; R205-D336 VanDerWaalsContact NH2-CG 3.3Å; R205-D336 IonicContact NH2-OD1 3.44Å; R205-D336 PolarHBondContact NH2-OD1 3.19Å; R205-D336 IonicContact NH2-OD2 3.45Å; R205-D336 PolarHBondContact NH2-OD2 2.99Å; R205-N351 PolarHBondContact NH2-ND2 3.45Å; R205-N351 VanDerWaalsContact NH2-ND2 3.18Å
206	I	98.4	Very high	95.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	135.8	177.2	-53.4	-169.9	0	0	0	109.5	L204 I208 L220 I274 I295 F335 I337	L204-I206 HydrophobicContact CB-CG1 4.25Å; I206-I208 HydrophobicContact CG2-CD1 3.91Å; I206-L220 HydrophobicContact CG2-CD1 4.27Å; I206-L220 HydrophobicContact CG2-CG 4.27Å; I206-I274 HydrophobicContact CD1-CD1 4.27Å; I206-I274 HydrophobicContact CG1-CD1 3.65Å; I206-I295 HydrophobicContact CD1-CB 4.48Å; I206-I295 HydrophobicContact CD1-CD1 3.89Å; I206-I295 HydrophobicContact CD1-CG1 4.21Å; I206-I295 HydrophobicContact CD1-CG2 3.47Å; I206-I295 VanDerWaalsContact CD1-CG2 3.47Å; I206-F335 PolarHBondContact N-O 3.07Å; I206-F335 PolarHBondContact O-N 3.41Å; I206-I337 HydrophobicContact CD1-CD1 4.03Å
207	Y	98.8	Very high	95.6	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	124.2	-179.4	-66.2	-84.8	0	0	0	111.1	R205 Y221 V332 L333 P354 F356 V366 K367 V370	R205-Y207 HydrophobicContact CG-CE2 4Å; Y207-Y221 VanDerWaalsContact O-CB 3.27Å; Y207-Y221 WeakPolarHBondContact O-CB 3.45Å; Y207-Y221 PolarHBondContact O-N 3.01Å; Y207-V332 HydrophobicContact CD1-CG1 4.26Å; Y207-L333 WeakPolarHBondContact CA-O 3.41Å; Y207-P354 HydrophobicContact CE1-CB 4.16Å; Y207-P354 HydrophobicContact CE1-CG 4.35Å; Y207-F356 HydrophobicContact CE1-CE1 4.12Å; Y207-V366 HydrophobicContact CD2-CG1 4.27Å; Y207-V366 HydrophobicContact CE2-CG1 3.91Å; Y207-K367 WeakPolarHBondContact OH-CE 3.36Å; Y207-V370 HydrophobicContact CD1-CG1 4.05Å; Y207-V370 HydrophobicContact CD1-CG2 4.35Å; Y207-V370 HydrophobicContact CD2-CG2 3.68Å; Y207-V370 HydrophobicContact CE2-CG2 4.35Å; Y207-V370 HydrophobicContact CG-CG1 4.04Å; Y207-V370 HydrophobicContact CG-CG2 3.67Å
208	I	98.9	Very high	95.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	131.2	-179.3	-53.3	-54.9	0	0	0	108.9	I206 I218 F219 L220 V299 L303 V332 L333 F335	I206-I208 HydrophobicContact CG2-CD1 3.91Å; I208-I218 HydrophobicContact CG2-CG2 3.62Å; I208-F219 CarbonylContact C-O 3.58Å; I208-F219 WeakPolarHBondContact CA-O 3.49Å; I208-L220 HydrophobicContact CD1-CB 3.91Å; I208-L220 HydrophobicContact CD1-CD1 4.08Å; I208-L220 HydrophobicContact CD1-CG 3.93Å; I208-V299 HydrophobicContact CB-CG1 4.4Å; I208-V299 HydrophobicContact CD1-CB 4.37Å; I208-V299 HydrophobicContact CD1-CG1 3.8Å; I208-V299 HydrophobicContact CD1-CG2 3.77Å; I208-V299 HydrophobicContact CG1-CG1 3.77Å; I208-V299 HydrophobicContact CG1-CG2 4.06Å; I208-V299 HydrophobicContact CG2-CG1 3.76Å; I208-L303 HydrophobicContact CG2-CD1 4.05Å; I208-V332 CarbonylContact O-C 3.29Å; I208-V332 WeakPolarHBondContact O-CA 3.47Å; I208-L333 HydrophobicContact CB-CB 4.4Å; I208-L333 PolarHBondContact N-O 3.22Å; I208-L333 PolarHBondContact O-N 2.77Å; I208-F335 HydrophobicContact CB-CD2 4.09Å; I208-F335 HydrophobicContact CB-CE2 4Å; I208-F335 HydrophobicContact CG1-CD2 3.45Å; I208-F335 VanDerWaalsContact CG1-CD2 3.45Å; I208-F335 HydrophobicContact CG1-CE2 3.7Å; I208-F335 HydrophobicContact CG1-CG 4.1Å; I208-F335 HydrophobicContact CG2-CE2 4.49Å
209	L	98.8	Very high	96.3	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	120.5	173.4	171.8	68.6	0	0	0	109.6	T211 F219 F330 E331 V332 A374 L377 Y454	L209-T211 HydrophobicContact CD1-CG2 4.23Å; L209-T211 HydrophobicContact CD2-CG2 3.71Å; L209-T211 HydrophobicContact CG-CG2 3.71Å; L209-F219 HydrophobicContact CB-CB 4.22Å; L209-F219 PolarHBondContact N-O 3.49Å; L209-F219 PolarHBondContact O-N 3.28Å; L209-F330 HydrophobicContact CD1-CD2 4.03Å; L209-E331 WeakPolarHBondContact CA-O 3.48Å; L209-V332 HydrophobicContact CD1-CG2 4.02Å; L209-A374 HydrophobicContact CD1-CB 4.09Å; L209-A374 HydrophobicContact CD2-CB 3.82Å; L209-A374 HydrophobicContact CG-CB 4.49Å; L209-L377 HydrophobicContact CD2-CB 4.23Å; L209-L377 HydrophobicContact CD2-CD1 3.73Å; L209-Y454 HydrophobicContact CB-CD1 4.28Å; L209-Y454 HydrophobicContact CB-CE1 3.54Å; L209-Y454 HydrophobicContact CD2-CE1 4.49Å; L209-Y454 HydrophobicContact CD2-CE2 4.28Å
210	V	98.7	Very high	96.6	Very high	4 Å²	4	12.4 Å²	12.4	2%	0.024	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	118.5	168.2	-174.2	0	0	0	0	107.5	F98 L216 K217 L303 F330 E331 L333	F98-V210 HydrophobicContact CD2-CG1 4.36Å; F98-V210 HydrophobicContact CE2-CB 3.95Å; F98-V210 HydrophobicContact CE2-CG1 3.66Å; F98-V210 HydrophobicContact CZ-CG1 4.1Å; V210-L216 HydrophobicContact CG1-CD1 4.26Å; V210-K217 WeakPolarHBondContact CA-O 3.35Å; V210-L303 HydrophobicContact CG2-CD1 3.74Å; V210-L303 HydrophobicContact CG2-CD2 4.02Å; V210-F330 CarbonylContact O-C 3.57Å; V210-F330 WeakPolarHBondContact O-CA 3.48Å; V210-F330 WeakPolarHBondContact O-CB 3.46Å; V210-E331 PolarHBondContact N-O 2.96Å; V210-E331 PolarHBondContact O-N 3.09Å; V210-L333 HydrophobicContact CG2-CD1 4.22Å
211	T	97.8	Very high	96.9	Very high	5 Å²	5	10 Å²	10	3%	0.031	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-11.6	-177.6	62.2	0	0	0	0	113.4	L209 K217 F219 S327 L378	L209-T211 HydrophobicContact CD1-CG2 4.23Å; L209-T211 HydrophobicContact CD2-CG2 3.71Å; L209-T211 HydrophobicContact CG-CG2 3.71Å; T211-K217 PolarHBondContact N-O 3.03Å; T211-K217 VanDerWaalsContact N-O 3.1Å; T211-K217 WeakPolarHBondContact OG1-CB 3.33Å; T211-F219 HydrophobicContact CG2-CD2 3.92Å; T211-F219 HydrophobicContact CG2-CE2 3.8Å; T211-S327 VanDerWaalsContact O-CB 3.3Å; T211-S327 WeakPolarHBondContact O-CB 3.27Å; T211-L378 HydrophobicContact CG2-CD2 4.19Å
212	S	96.5	Very high	96.9	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.007	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.3	145.1	-176.7	-176.3	0	0	0	0	109.7	D214 P215 L216 K217	S212-D214 PolarHBondContact OG-N 2.99Å; S212-D214 PolarHBondContact OG-O 3.34Å; S212-P215 CarbonylContact C-O 3.59Å; S212-P215 WeakPolarHBondContact CB-O 3.06Å; S212-P215 PolarHBondContact OG-O 2.85Å; S212-L216 CarbonylContact O-C 3.5Å; S212-L216 VanDerWaalsContact O-CA 3.31Å; S212-L216 WeakPolarHBondContact O-CA 3.4Å; S212-K217 PolarHBondContact O-N 3.07Å
213	C	94.2	Very high	97	Very high	3 Å²	3	13.4 Å²	13.4	2%	0.02	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	-15.6	165.1	65.2	0	0	0	0	112.1	F98 P215 L216 V310	F98-C213 HydrophobicContact CD1-CB 4.45Å; F98-C213 HydrophobicContact CE1-CB 4.04Å; C213-P215 CarbonylContact O-C 3.53Å; C213-L216 PolarHBondContact O-N 3.18Å; C213-V310 HydrophobicContact CB-CG1 3.88Å
214	D	89.2	Confident	97.1	Very high	58 Å²	58	13.3 Å²	13.3	31%	0.31	7%	0.071	S	C	.	.	T	Hydrogen-bonded Turn	trans	-136.7	90	-179.9	-163.8	-3	0	0	0	111.8	S212 L311 R315	S212-D214 PolarHBondContact OG-N 2.99Å; S212-D214 PolarHBondContact OG-O 3.34Å; D214-L311 HydrophobicContact CB-CD1 3.65Å; D214-R315 IonicContact OD1-NH2 2.68Å; D214-R315 IonicContact OD2-CZ 3.01Å; D214-R315 IonicContact OD2-NE 2.71Å; D214-R315 PolarHBondContact OD2-NE 3.3Å; D214-R315 IonicContact OD2-NH2 2.73Å; D214-R315 PolarHBondContact OD2-NH2 2.95Å
215	P	91.6	Very high	97	Very high	71 Å²	71	13.6 Å²	13.6	46%	0.461	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	cis	-73.8	157.1	-5.2	31.9	-35.7	0	0	0	112.2	S212 C213 K217	S212-P215 CarbonylContact C-O 3.59Å; S212-P215 WeakPolarHBondContact CB-O 3.06Å; S212-P215 PolarHBondContact OG-O 2.85Å; C213-P215 CarbonylContact O-C 3.53Å; P215-K217 PolarHBondContact O-N 3.21Å
216	L	95.5	Very high	96.8	Very high	13 Å²	13	12.7 Å²	12.7	7%	0.068	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	128.3	176.1	178.1	60.1	0	0	0	111	V210 S212 C213 I218 E307 Y458	V210-L216 HydrophobicContact CG1-CD1 4.26Å; S212-L216 CarbonylContact O-C 3.5Å; S212-L216 VanDerWaalsContact O-CA 3.31Å; S212-L216 WeakPolarHBondContact O-CA 3.4Å; C213-L216 PolarHBondContact O-N 3.18Å; L216-I218 HydrophobicContact CD1-CD1 3.98Å; L216-I218 HydrophobicContact CD1-CG1 3.77Å; L216-I218 HydrophobicContact CD2-CD1 3.92Å; L216-I218 HydrophobicContact CG-CD1 3.94Å; L216-I218 HydrophobicContact CG-CG1 3.97Å; L216-E307 WeakPolarHBondContact CD1-OE2 3.31Å; L216-E307 HydrophobicContact CD2-CB 4.43Å; L216-E307 HydrophobicContact CD2-CG 4.26Å; L216-Y458 HydrophobicContact CB-CD1 4.02Å; L216-Y458 HydrophobicContact CB-CE1 3.75Å; L216-Y458 HydrophobicContact CD2-CD1 4Å; L216-Y458 HydrophobicContact CD2-CE1 3.98Å; L216-Y458 HydrophobicContact CG-CD1 3.74Å; L216-Y458 HydrophobicContact CG-CE1 3.91Å; L216-Y458 VanDerWaalsContact O-CD1 3.25Å; L216-Y458 WeakPolarHBondContact O-CD1 3.31Å; L216-Y458 WeakPolarHBondContact O-CE1 3.45Å
217	K	97.1	Very high	96.6	Very high	7 Å²	7	13.9 Å²	13.9	3%	0.03	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	118.6	176.3	-71.9	-164.6	175.1	-160.6	0	111.1	V210 T211 S212 P215 F219 E447 Y458	V210-K217 WeakPolarHBondContact CA-O 3.35Å; T211-K217 PolarHBondContact N-O 3.03Å; T211-K217 VanDerWaalsContact N-O 3.1Å; T211-K217 WeakPolarHBondContact OG1-CB 3.33Å; S212-K217 PolarHBondContact O-N 3.07Å; P215-K217 PolarHBondContact O-N 3.21Å; K217-F219 HydrophobicContact CB-CE2 4.16Å; K217-E447 IonicContact NZ-OE1 2.66Å; K217-E447 PolarHBondContact NZ-OE1 2.85Å; K217-E447 IonicContact NZ-OE2 3.48Å; K217-E447 PolarHBondContact NZ-OE2 2.83Å; K217-Y458 WeakPolarHBondContact CA-O 3.46Å
218	I	98.8	Very high	96.1	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	129.6	-172.3	-50.6	169.7	0	0	0	109.9	I208 L216 V299 L303 I457 Y458	I208-I218 HydrophobicContact CG2-CG2 3.62Å; L216-I218 HydrophobicContact CD1-CD1 3.98Å; L216-I218 HydrophobicContact CD1-CG1 3.77Å; L216-I218 HydrophobicContact CD2-CD1 3.92Å; L216-I218 HydrophobicContact CG-CD1 3.94Å; L216-I218 HydrophobicContact CG-CG1 3.97Å; I218-V299 HydrophobicContact CG2-CG1 4.12Å; I218-L303 HydrophobicContact CB-CD1 4.31Å; I218-L303 HydrophobicContact CD1-CB 3.62Å; I218-L303 HydrophobicContact CD1-CD1 3.52Å; I218-L303 HydrophobicContact CD1-CG 4.2Å; I218-L303 HydrophobicContact CG1-CD1 3.8Å; I218-L303 HydrophobicContact CG2-CD1 3.52Å; I218-I457 HydrophobicContact CB-CG1 4.09Å; I218-I457 HydrophobicContact CG2-CD1 3.73Å; I218-I457 HydrophobicContact CG2-CG1 3.74Å; I218-I457 WeakPolarHBondContact O-CG1 3.31Å; I218-I457 PolarHBondContact O-N 2.72Å; I218-Y458 HydrophobicContact CD1-CG 4.3Å; I218-Y458 PolarHBondContact N-O 3.46Å; I218-Y458 PolarHBondContact O-N 2.78Å
219	F	98.8	Very high	95.5	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	130.4	177.7	-60.6	-97.6	0	0	0	110.1	I208 L209 T211 K217 L377 E447 M451 Y454 R455 R456	I208-F219 CarbonylContact C-O 3.58Å; I208-F219 WeakPolarHBondContact CA-O 3.49Å; L209-F219 HydrophobicContact CB-CB 4.22Å; L209-F219 PolarHBondContact N-O 3.49Å; L209-F219 PolarHBondContact O-N 3.28Å; T211-F219 HydrophobicContact CG2-CD2 3.92Å; T211-F219 HydrophobicContact CG2-CE2 3.8Å; K217-F219 HydrophobicContact CB-CE2 4.16Å; F219-L377 HydrophobicContact CD1-CD1 4.08Å; F219-L377 HydrophobicContact CE1-CD1 4.4Å; F219-L377 HydrophobicContact CE1-CD2 4.3Å; F219-L377 HydrophobicContact CG-CD1 4.24Å; F219-E447 HydrophobicContact CZ-CB 4.4Å; F219-E447 HydrophobicContact CZ-CG 4.2Å; F219-M451 HydrophobicContact CD1-CG 4.26Å; F219-M451 HydrophobicContact CD1-SD 4.31Å; F219-M451 HydrophobicContact CE1-CG 4.15Å; F219-M451 HydrophobicContact CE1-SD 4.26Å; F219-Y454 HydrophobicContact CB-CD1 3.63Å; F219-Y454 HydrophobicContact CB-CE1 4.33Å; F219-Y454 HydrophobicContact CB-CG 4.14Å; F219-R455 CarbonylContact C-O 3.52Å; F219-R455 VanDerWaalsContact CA-O 3.27Å; F219-R455 WeakPolarHBondContact CA-O 3.3Å; F219-R456 HydrophobicContact CD1-CB 3.84Å; F219-R456 HydrophobicContact CD1-CG 4.38Å; F219-R456 HydrophobicContact CE1-CB 3.68Å; F219-R456 HydrophobicContact CE1-CG 4.02Å; F219-R456 HydrophobicContact CZ-CB 4.44Å; F219-R456 HydrophobicContact CZ-CG 4.3Å
220	L	98.8	Very high	94.8	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.01	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	131.5	173.3	172.9	148.3	0	0	0	109.2	I206 I208 W292 I295 Y454 R455 I457	I206-L220 HydrophobicContact CG2-CD1 4.27Å; I206-L220 HydrophobicContact CG2-CG 4.27Å; I208-L220 HydrophobicContact CD1-CB 3.91Å; I208-L220 HydrophobicContact CD1-CD1 4.08Å; I208-L220 HydrophobicContact CD1-CG 3.93Å; L220-W292 HydrophobicContact CD1-CE3 4.31Å; L220-W292 HydrophobicContact CD1-CZ3 4.31Å; L220-W292 HydrophobicContact CD2-CE3 3.75Å; L220-W292 HydrophobicContact CD2-CH2 4.47Å; L220-W292 HydrophobicContact CD2-CZ3 3.57Å; L220-W292 HydrophobicContact CG-CZ3 4.39Å; L220-I295 HydrophobicContact CD1-CG2 3.61Å; L220-Y454 CarbonylContact O-C 3.59Å; L220-Y454 WeakPolarHBondContact O-CA 3.48Å; L220-R455 PolarHBondContact N-O 2.87Å; L220-R455 PolarHBondContact O-N 2.88Å; L220-I457 HydrophobicContact CB-CD1 3.85Å; L220-I457 HydrophobicContact CB-CG1 4.22Å; L220-I457 HydrophobicContact CB-CG2 3.86Å
221	Y	98.6	Very high	94.3	Very high	13 Å²	13	17.1 Å²	17.1	5%	0.051	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	124.4	172.3	-159.5	-109.2	0	0	0	109.3	Y207 D223 G369 V370 N373 N453 Y454	Y207-Y221 VanDerWaalsContact O-CB 3.27Å; Y207-Y221 WeakPolarHBondContact O-CB 3.45Å; Y207-Y221 PolarHBondContact O-N 3.01Å; Y221-D223 HydrophobicContact CD1-CB 3.95Å; Y221-D223 HydrophobicContact CE1-CB 3.86Å; Y221-D223 PolarHBondContact O-N 2.73Å; Y221-D223 VanDerWaalsContact O-O 3.14Å; Y221-G369 VanDerWaalsContact CZ-C 3.49Å; Y221-G369 WeakPolarHBondContact OH-CA 3.35Å; Y221-G369 PolarHBondContact OH-O 3.42Å; Y221-V370 HydrophobicContact CD1-CG2 3.42Å; Y221-V370 VanDerWaalsContact CD1-CG2 3.42Å; Y221-V370 HydrophobicContact CD2-CG2 4.2Å; Y221-V370 HydrophobicContact CE1-CG2 3.63Å; Y221-V370 HydrophobicContact CE2-CG2 4.37Å; Y221-V370 HydrophobicContact CG-CG2 3.73Å; Y221-N373 HydrophobicContact CE2-CB 4.35Å; Y221-N373 PolarHBondContact OH-ND2 3.1Å; Y221-N453 HydrophobicContact CD2-CB 4.36Å; Y221-N453 HydrophobicContact CE1-CB 4.44Å; Y221-N453 HydrophobicContact CE2-CB 3.7Å; Y221-Y454 AromaticContact CD2-CD1 3.9Å; Y221-Y454 HydrophobicContact CD2-CD1 3.9Å; Y221-Y454 AromaticContact CD2-CD2 3.65Å; Y221-Y454 HydrophobicContact CD2-CD2 3.65Å; Y221-Y454 AromaticContact CD2-CE1 3.82Å; Y221-Y454 HydrophobicContact CD2-CE1 3.82Å; Y221-Y454 AromaticContact CD2-CE2 3.55Å; Y221-Y454 HydrophobicContact CD2-CE2 3.55Å; Y221-Y454 AromaticContact CD2-CG 3.82Å; Y221-Y454 HydrophobicContact CD2-CG 3.82Å; Y221-Y454 AromaticContact CD2-CZ 3.64Å; Y221-Y454 HydrophobicContact CE2-CD2 4.09Å; Y221-Y454 HydrophobicContact CE2-CE2 4.03Å; Y221-Y454 HydrophobicContact CG-CD1 4.47Å; Y221-Y454 HydrophobicContact CG-CE1 4.22Å
222	H	97.3	Very high	94	Very high	63 Å²	63	23.2 Å²	23.2	29%	0.292	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	42.3	-175.1	-149	-99	0	0	0	112.2	W292 N453 R455	H222-W292 AromaticContact CD2-CD2 3.62Å; H222-W292 AromaticContact CD2-CE2 3.65Å; H222-W292 AromaticContact CD2-CE3 3.96Å; H222-W292 AromaticContact CD2-CZ2 3.97Å; H222-W292 AromaticContact CE1-CD1 3.53Å; H222-W292 AromaticContact CE1-CD2 3.97Å; H222-W292 AromaticContact CE1-CE2 3.4Å; H222-W292 AromaticContact CE1-CZ2 3.9Å; H222-W292 AromaticContact CE1-NE1 3.13Å; H222-W292 PolarHBondContact CE1-NE1 2.91Å; H222-W292 AromaticContact CG-CE2 3.96Å; H222-W292 AromaticContact CG-CZ2 3.88Å; H222-W292 AromaticContact ND1-CE2 3.8Å; H222-W292 AromaticContact ND1-CZ2 3.82Å; H222-W292 AromaticContact ND1-NE1 3.9Å; H222-W292 AromaticContact NE2-CD1 3.27Å; H222-W292 VanDerWaalsContact NE2-CD1 3.27Å; H222-W292 AromaticContact NE2-CD2 3.38Å; H222-W292 AromaticContact NE2-CE2 3.32Å; H222-W292 VanDerWaalsContact NE2-CE2 3.32Å; H222-W292 AromaticContact NE2-CG 3.33Å; H222-W292 VanDerWaalsContact NE2-CG 3.33Å; H222-W292 AromaticContact NE2-NE1 3.27Å; H222-W292 PolarHBondContact NE2-NE1 3.2Å; H222-N453 WeakPolarHBondContact CB-O 3.22Å; H222-N453 PolarHBondContact N-O 2.83Å; H222-N453 PolarHBondContact O-ND2 3.08Å; H222-R455 HydrophobicContact CB-CG 4.5Å
223	D	97.7	Very high	94	Very high	20 Å²	20	24.1 Å²	24.1	11%	0.107	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	175	170.9	-156.8	-5.9	0	0	0	108.1	Y221 I274 K275	Y221-D223 HydrophobicContact CD1-CB 3.95Å; Y221-D223 HydrophobicContact CE1-CB 3.86Å; Y221-D223 PolarHBondContact O-N 2.73Å; Y221-D223 VanDerWaalsContact O-O 3.14Å; D223-I274 PolarHBondContact OD1-N 2.94Å; D223-I274 VanDerWaalsContact OD1-N 3.07Å; D223-K275 PolarHBondContact OD1-N 3.44Å
224	G	97.1	Very high	94	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.6	-158.3	-177.5	0	0	0	0	0	110.9	R205 S273 I274	R205-G224 WeakPolarHBondContact O-CA 3.37Å; G224-S273 WeakPolarHBondContact O-CA 3.35Å; G224-I274 PolarHBondContact O-N 3.29Å; G224-I274 VanDerWaalsContact O-N 3.1Å
225	L	96	Very high	94.2	Very high	7 Å²	7	28.9 Å²	28.9	4%	0.037	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	131.9	179.6	-52.3	172.2	0	0	0	110.2	R205 K271 I362 D363 V366	R205-L225 HydrophobicContact CB-CB 4.1Å; R205-L225 PolarHBondContact N-O 3.23Å; R205-L225 PolarHBondContact O-N 3.43Å; L225-K271 HydrophobicContact CD2-CD 4.5Å; L225-I362 HydrophobicContact CD2-CG2 3.93Å; L225-D363 WeakPolarHBondContact CD1-OD1 3.09Å; L225-V366 HydrophobicContact CD2-CB 4.18Å; L225-V366 HydrophobicContact CD2-CG1 4.27Å; L225-V366 HydrophobicContact CD2-CG2 4.16Å
226	V	95.5	Very high	94.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	125.5	165.4	-176.2	0	0	0	0	107.3	M197 F202 L204 M228 K271 R272 I274 F277	M197-V226 HydrophobicContact CE-CG1 4.04Å; F202-V226 HydrophobicContact CB-CG1 3.96Å; F202-V226 HydrophobicContact CD2-CG1 3.65Å; F202-V226 HydrophobicContact CE2-CG1 4.38Å; F202-V226 HydrophobicContact CG-CG1 3.95Å; L204-V226 HydrophobicContact CD2-CB 4.37Å; L204-V226 HydrophobicContact CD2-CG1 4.35Å; L204-V226 HydrophobicContact CD2-CG2 3.7Å; V226-M228 HydrophobicContact CG1-CG 4.49Å; V226-K271 WeakPolarHBondContact O-CA 3.5Å; V226-R272 HydrophobicContact CB-CB 4.25Å; V226-R272 PolarHBondContact N-O 3.09Å; V226-R272 PolarHBondContact O-N 3.41Å; V226-R272 VanDerWaalsContact O-N 3.1Å; V226-I274 HydrophobicContact CG2-CG1 3.99Å; V226-F277 HydrophobicContact CG2-CB 3.72Å; V226-F277 HydrophobicContact CG2-CG 4.25Å
227	R	92.3	Very high	94	Very high	25 Å²	25	27.4 Å²	27.4	9%	0.094	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	107.8	-179.3	-59.7	-178.7	-68.3	-175.1	-1.8	108.9	F202 D203 T249 D336	F202-R227 CarbonylContact C-O 3.57Å; F202-R227 WeakPolarHBondContact CA-O 3.41Å; F202-R227 VanDerWaalsContact CB-O 3.32Å; F202-R227 WeakPolarHBondContact CB-O 3.49Å; D203-R227 VanDerWaalsContact CG-NH2 3.26Å; D203-R227 PolarHBondContact N-O 2.84Å; D203-R227 PolarHBondContact O-N 3.32Å; D203-R227 IonicContact OD1-CZ 3.81Å; D203-R227 IonicContact OD1-NE 3.62Å; D203-R227 PolarHBondContact OD1-NE 3.05Å; D203-R227 IonicContact OD1-NH2 2.96Å; D203-R227 PolarHBondContact OD1-NH2 3.15Å; D203-R227 IonicContact OD2-CZ 3.83Å; D203-R227 IonicContact OD2-NE 2.89Å; D203-R227 PolarHBondContact OD2-NE 3.27Å; D203-R227 VanDerWaalsContact OD2-NE 3.11Å; D203-R227 IonicContact OD2-NH2 3.21Å; D203-R227 PolarHBondContact OD2-NH2 3.05Å; R227-T249 WeakPolarHBondContact O-CB 3.31Å; R227-D336 IonicContact CZ-OD2 3.64Å; R227-D336 IonicContact NH1-OD2 2.68Å; R227-D336 IonicContact NH2-OD1 2.7Å; R227-D336 IonicContact NH2-OD2 3.22Å; R227-D336 PolarHBondContact NH2-OD2 3.05Å
228	M	88.9	Confident	93.6	Very high	9 Å²	9	34.7 Å²	34.7	4%	0.044	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	151.2	179.9	-63.2	172.1	60.6	0	0	110.8	M197 Y200 F202 V226 S270	M197-M228 HydrophobicContact SD-SD 3.98Å; Y200-M228 HydrophobicContact CD2-CE 4.01Å; Y200-M228 HydrophobicContact CG-CE 4Å; F202-M228 HydrophobicContact CB-CG 4.05Å; V226-M228 HydrophobicContact CG1-CG 4.49Å; M228-S270 WeakPolarHBondContact CB-O 3.47Å; M228-S270 PolarHBondContact N-O 3.38Å
229	G	86.3	Confident	93.2	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	162.9	161.4	0	0	0	0	0	110.7	Y200 K201	Y200-G229 VanDerWaalsContact CD1-O 3.28Å; Y200-G229 WeakPolarHBondContact CD1-O 3.48Å; K201-G229 PolarHBondContact O-N 2.81Å
230	T	84.5	Confident	92.8	Very high	5 Å²	5	39.4 Å²	39.4	3%	0.031	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-12.2	-178.9	43.9	0	0	0	0	113.4	N254 N257 F260	T230-N254 WeakPolarHBondContact CB-OD1 3.44Å; T230-N254 HydrophobicContact CG2-CB 3.73Å; T230-N254 WeakPolarHBondContact CG2-OD1 3.21Å; T230-N254 PolarHBondContact N-OD1 2.87Å; T230-N254 VanDerWaalsContact N-OD1 3.14Å; T230-N254 PolarHBondContact OG1-OD1 2.82Å; T230-N257 HydrophobicContact CG2-CB 4.1Å; T230-N257 PolarHBondContact OG1-ND2 3.2Å; T230-F260 HydrophobicContact CG2-CB 4.03Å; T230-F260 HydrophobicContact CG2-CD2 3.76Å; T230-F260 HydrophobicContact CG2-CG 4.39Å
231	E	87.5	Confident	92.3	Very high	56 Å²	56	40.7 Å²	40.7	26%	0.262	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	147.8	176.1	-70.1	175.8	-155.1	0	0	110.8	Y200 Y233 Y245 M246	Y200-E231 WeakPolarHBondContact CD1-O 3.41Å; E231-Y233 PolarHBondContact O-N 3.33Å; E231-Y245 WeakPolarHBondContact OE1-CB 3.47Å; E231-M246 HydrophobicContact CB-CB 3.95Å
232	K	92.1	Very high	91.8	Very high	133 Å²	133	46 Å²	46	58%	0.578	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-61.5	137.2	177.4	-74.8	-171.9	175.8	179.7	0	110.6	Y200 I234	Y200-K232 HydrophobicContact CE1-CG 4.19Å; Y200-K232 HydrophobicContact CE2-CG 4.07Å; K232-I234 PolarHBondContact O-N 2.96Å
233	Y	95.4	Very high	91.3	Very high	21 Å²	21	47.1 Å²	47.1	8%	0.082	25%	0.248	C	C	.	.			trans	-75.1	126.3	-175.3	-177.9	-99.4	0	0	0	111.7	Y190 E192 P194 L196 G199 K201 E231 P235 P236 M246 H247	Y190-Y233 WeakPolarHBondContact OH-CE2 3.49Å; E192-Y233 VanDerWaalsContact C-OH 3.28Å; E192-Y233 WeakPolarHBondContact O-CE1 3.5Å; E192-Y233 PolarHBondContact O-OH 2.9Å; P194-Y233 VanDerWaalsContact CD-CE1 3.49Å; P194-Y233 HydrophobicContact CG-CD1 4.05Å; P194-Y233 HydrophobicContact CG-CD2 4.36Å; P194-Y233 HydrophobicContact CG-CE1 3.76Å; P194-Y233 HydrophobicContact CG-CE2 4.1Å; P194-Y233 HydrophobicContact CG-CG 4.32Å; L196-Y233 HydrophobicContact CD1-CD1 4.12Å; L196-Y233 HydrophobicContact CD2-CD1 3.79Å; L196-Y233 HydrophobicContact CD2-CG 3.79Å; G199-Y233 PolarHBondContact O-N 3.48Å; K201-Y233 HydrophobicContact CB-CD2 3.85Å; K201-Y233 HydrophobicContact CB-CG 4.21Å; K201-Y233 HydrophobicContact CD-CD2 4.01Å; K201-Y233 HydrophobicContact CD-CE2 4.07Å; K201-Y233 HydrophobicContact CG-CD2 4.41Å; E231-Y233 PolarHBondContact O-N 3.33Å; Y233-P235 HydrophobicContact CE1-CG 4.32Å; Y233-P236 WeakPolarHBondContact OH-CD 3.06Å; Y233-M246 WeakPolarHBondContact CD2-O 3.31Å; Y233-H247 AromaticContact CE2-ND1 3.68Å
234	I	95.2	Very high	90.6	Very high	86 Å²	86	48.8 Å²	48.8	44%	0.441	26%	0.257	S	S	.	.			trans	-116.8	136.2	166.6	-58.9	176.6	0	0	0	107.4	K232 M246 H247	K232-I234 PolarHBondContact O-N 2.96Å; I234-M246 HydrophobicContact CB-SD 4.24Å; I234-H247 PolarHBondContact O-CE1 3.47Å
235	P	93.7	Very high	89.9	Confident	74 Å²	74	52.9 Å²	52.9	48%	0.481	27%	0.273	S	S	.	.			trans	-52.9	142.6	174.5	-27	35.1	0	0	0	112.1	Y233 N237 N240	Y233-P235 HydrophobicContact CE1-CG 4.32Å; P235-N237 PolarHBondContact O-N 3.07Å; P235-N237 PolarHBondContact O-ND2 3.2Å; P235-N240 PolarHBondContact O-ND2 2.85Å
236	P	92.4	Very high	89.5	Confident	4 Å²	4	53 Å²	53	3%	0.026	27%	0.273	C	S	.	.			trans	-63.1	129.8	-175.7	25	-35	0	0	0	111.6	T156 L172 R174 Y190 E192 Y233 N240 L241	T156-P236 HydrophobicContact CG2-CB 3.73Å; T156-P236 HydrophobicContact CG2-CG 3.8Å; T156-P236 VanDerWaalsContact OG1-CG 3.3Å; T156-P236 WeakPolarHBondContact OG1-CG 3.49Å; L172-P236 HydrophobicContact CD2-CB 4.37Å; R174-P236 PolarHBondContact NE-O 2.9Å; R174-P236 PolarHBondContact NH2-O 3.38Å; Y190-P236 HydrophobicContact CD1-CG 3.86Å; Y190-P236 HydrophobicContact CE1-CG 3.86Å; E192-P236 HydrophobicContact CB-CG 4.43Å; E192-P236 HydrophobicContact CG-CG 3.9Å; Y233-P236 WeakPolarHBondContact OH-CD 3.06Å; P236-N240 WeakPolarHBondContact CA-OD1 3.32Å; P236-L241 HydrophobicContact CB-CD2 3.95Å
237	N	91.1	Very high	89.2	Confident	50 Å²	50	53 Å²	53	27%	0.267	27%	0.273	S	S	.	.			trans	-140.8	176.8	175.4	66	60.2	0	0	0	108.5	P235 S239 N240 L241	P235-N237 PolarHBondContact O-N 3.07Å; P235-N237 PolarHBondContact O-ND2 3.2Å; N237-S239 VanDerWaalsContact C-N 3.25Å; N237-S239 PolarHBondContact O-N 3.2Å; N237-S239 PolarHBondContact OD1-N 3.26Å; N237-S239 PolarHBondContact OD1-OG 3.43Å; N237-N240 PolarHBondContact N-OD1 2.85Å; N237-N240 PolarHBondContact ND2-ND2 3.2Å; N237-N240 PolarHBondContact O-N 2.82Å; N237-N240 PolarHBondContact O-OD1 2.75Å; N237-N240 PolarHBondContact OD1-N 3.3Å; N237-L241 VanDerWaalsContact O-CG 3.25Å; N237-L241 WeakPolarHBondContact O-CG 3.41Å; N237-L241 PolarHBondContact O-N 2.61Å
238	E	87.3	Confident	89	Confident	159 Å²	159	52.1 Å²	52.1	74%	0.743	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-25	-172.5	-64.9	-176.7	175.1	0	0	114.4
239	S	90.9	Very high	88.7	Confident	95 Å²	95	52.2 Å²	52.2	66%	0.664	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-17.9	-178.4	65.1	0	0	0	0	114.3	N237	N237-S239 VanDerWaalsContact C-N 3.25Å; N237-S239 PolarHBondContact O-N 3.2Å; N237-S239 PolarHBondContact OD1-N 3.26Å; N237-S239 PolarHBondContact OD1-OG 3.43Å
240	N	90.9	Very high	88.5	Confident	4 Å²	4	53.3 Å²	53.3	2%	0.021	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113	2	-176	71.9	1.8	0	0	0	115.6	P235 P236 N237 T242 Q243 M246 H247	P235-N240 PolarHBondContact O-ND2 2.85Å; P236-N240 WeakPolarHBondContact CA-OD1 3.32Å; N237-N240 PolarHBondContact N-OD1 2.85Å; N237-N240 PolarHBondContact ND2-ND2 3.2Å; N237-N240 PolarHBondContact O-N 2.82Å; N237-N240 PolarHBondContact O-OD1 2.75Å; N237-N240 PolarHBondContact OD1-N 3.3Å; N240-T242 PolarHBondContact O-N 2.84Å; N240-T242 VanDerWaalsContact O-N 3.09Å; N240-Q243 HydrophobicContact CB-CB 4.47Å; N240-Q243 HydrophobicContact CB-CG 4.47Å; N240-Q243 WeakPolarHBondContact O-CB 3.43Å; N240-Q243 PolarHBondContact O-N 2.73Å; N240-M246 HydrophobicContact CB-SD 4.24Å; N240-H247 PolarHBondContact O-NE2 2.9Å
241	L	88.6	Confident	87.9	Confident	30 Å²	30	55.9 Å²	55.9	16%	0.157	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-27.9	179.9	-62.8	-179.7	0	0	0	114.1	T156 L172 R174 P236 N237	T156-L241 HydrophobicContact CG2-CD2 4.18Å; L172-L241 HydrophobicContact CB-CB 4.36Å; L172-L241 HydrophobicContact CB-CD2 3.94Å; R174-L241 HydrophobicContact CB-CD1 4.44Å; R174-L241 HydrophobicContact CG-CD1 4.12Å; R174-L241 HydrophobicContact CG-CD2 3.99Å; P236-L241 HydrophobicContact CB-CD2 3.95Å; N237-L241 VanDerWaalsContact O-CG 3.25Å; N237-L241 WeakPolarHBondContact O-CG 3.41Å; N237-L241 PolarHBondContact O-N 2.61Å
242	T	87.1	Confident	86.8	Confident	124 Å²	124	54.6 Å²	54.6	76%	0.761	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-10.9	179	54.6	0	0	0	0	113.1	N240 L244	N240-T242 PolarHBondContact O-N 2.84Å; N240-T242 VanDerWaalsContact O-N 3.09Å; T242-L244 VanDerWaalsContact C-N 3.28Å; T242-L244 PolarHBondContact O-N 3.03Å
243	Q	86.4	Confident	85.7	Confident	86 Å²	86	49.6 Å²	49.6	40%	0.402	27%	0.265	S	S	.	.			trans	-80.4	75.6	177.9	-64	178.2	-18.3	0	0	109.6	N240 Y245 M246 H247	N240-Q243 HydrophobicContact CB-CB 4.47Å; N240-Q243 HydrophobicContact CB-CG 4.47Å; N240-Q243 WeakPolarHBondContact O-CB 3.43Å; N240-Q243 PolarHBondContact O-N 2.73Å; Q243-Y245 VanDerWaalsContact C-N 3.29Å; Q243-Y245 PolarHBondContact O-N 2.96Å; Q243-M246 HydrophobicContact CB-CE 3.96Å; Q243-M246 HydrophobicContact CB-CG 4.18Å; Q243-M246 HydrophobicContact CB-SD 4.25Å; Q243-M246 WeakPolarHBondContact O-CG 3.33Å; Q243-H247 PolarHBondContact O-CD2 3.35Å
244	L	84	Confident	84.8	Confident	56 Å²	56	48.7 Å²	48.7	29%	0.293	26%	0.261	S	S	.	.	H	α-helix	trans	-68.7	-23.8	-170.9	-63.6	-178.1	0	0	0	113.7	L172 T242 M246 H247 L248	L172-L244 HydrophobicContact CD1-CD2 3.95Å; T242-L244 VanDerWaalsContact C-N 3.28Å; T242-L244 PolarHBondContact O-N 3.03Å; L244-M246 VanDerWaalsContact C-N 3.32Å; L244-M246 PolarHBondContact O-N 3.49Å; L244-H247 PolarHBondContact O-N 2.86Å; L244-H247 VanDerWaalsContact O-N 3.07Å; L244-L248 HydrophobicContact CB-CD1 4.05Å; L244-L248 HydrophobicContact CB-CG 4.27Å; L244-L248 HydrophobicContact CD1-CD1 4.23Å; L244-L248 HydrophobicContact CD2-CD1 4.27Å; L244-L248 HydrophobicContact CD2-CG 4.47Å; L244-L248 HydrophobicContact CG-CD1 4.42Å; L244-L248 WeakPolarHBondContact O-CB 3.27Å; L244-L248 PolarHBondContact O-N 3.38Å
245	Y	82.8	Confident	83.6	Confident	86 Å²	86	48.2 Å²	48.2	34%	0.337	26%	0.256	S	S	.	.	H	α-helix	trans	-67.2	-26.2	-178.2	-67.3	-58.9	0	0	0	114.4	E231 Q243 V253 N257	E231-Y245 WeakPolarHBondContact OE1-CB 3.47Å; Q243-Y245 VanDerWaalsContact C-N 3.29Å; Q243-Y245 PolarHBondContact O-N 2.96Å; Y245-V253 HydrophobicContact CD1-CG1 3.9Å; Y245-V253 HydrophobicContact CE1-CG1 3.77Å; Y245-N257 HydrophobicContact CD1-CB 4.15Å; Y245-N257 WeakPolarHBondContact CD2-ND2 3.39Å; Y245-N257 HydrophobicContact CE1-CB 4.04Å; Y245-N257 VanDerWaalsContact CG-ND2 3.26Å
246	M	86.4	Confident	82.4	Confident	9 Å²	9	51.1 Å²	51.1	4%	0.044	26%	0.263	C	S	.	.	H	α-helix	trans	-84.9	-20.7	170.6	62.3	174	68.8	0	0	113.1	E231 Y233 I234 N240 Q243 L244	E231-M246 HydrophobicContact CB-CB 3.95Å; Y233-M246 WeakPolarHBondContact CD2-O 3.31Å; I234-M246 HydrophobicContact CB-SD 4.24Å; N240-M246 HydrophobicContact CB-SD 4.24Å; Q243-M246 HydrophobicContact CB-CE 3.96Å; Q243-M246 HydrophobicContact CB-CG 4.18Å; Q243-M246 HydrophobicContact CB-SD 4.25Å; Q243-M246 WeakPolarHBondContact O-CG 3.33Å; L244-M246 VanDerWaalsContact C-N 3.32Å; L244-M246 PolarHBondContact O-N 3.49Å
247	H	89.6	Confident	81.4	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-102.5	-25.9	-173.1	-67.7	-32.1	0	0	0	114	L172 Y190 K201 Y233 I234 N240 Q243 L244	L172-H247 HydrophobicContact CD1-CB 4.05Å; L172-H247 HydrophobicContact CD2-CB 4.25Å; Y190-H247 PolarHBondContact OH-ND1 2.97Å; K201-H247 PolarHBondContact NZ-O 3.28Å; Y233-H247 AromaticContact CE2-ND1 3.68Å; I234-H247 PolarHBondContact O-CE1 3.47Å; N240-H247 PolarHBondContact O-NE2 2.9Å; Q243-H247 PolarHBondContact O-CD2 3.35Å; L244-H247 PolarHBondContact O-N 2.86Å; L244-H247 VanDerWaalsContact O-N 3.07Å
248	L	87.1	Confident	80.2	Confident	7 Å²	7	58.4 Å²	58.4	4%	0.037	30%	0.296	C	S	.	.			trans	-113.6	129.8	179.8	-54.5	-174.5	0	0	0	109.9	I158 I170 L244 N254	I158-L248 HydrophobicContact CD1-CD2 4.15Å; I170-L248 HydrophobicContact CB-CD1 4.15Å; I170-L248 HydrophobicContact CG2-CD1 4.14Å; I170-L248 HydrophobicContact CG2-CD2 3.76Å; L244-L248 HydrophobicContact CB-CD1 4.05Å; L244-L248 HydrophobicContact CB-CG 4.27Å; L244-L248 HydrophobicContact CD1-CD1 4.23Å; L244-L248 HydrophobicContact CD2-CD1 4.27Å; L244-L248 HydrophobicContact CD2-CG 4.47Å; L244-L248 HydrophobicContact CG-CD1 4.42Å; L244-L248 WeakPolarHBondContact O-CB 3.27Å; L244-L248 PolarHBondContact O-N 3.38Å; L248-N254 PolarHBondContact O-ND2 2.96Å
249	T	84.6	Confident	79.5	Confident	11 Å²	11	56.8 Å²	56.8	7%	0.067	29%	0.288	C	S	.	.			trans	-104.2	2.5	-175.5	49.5	0	0	0	0	112.4	K201 D203 R227 Y251	K201-T249 HydrophobicContact CB-CG2 4.38Å; K201-T249 HydrophobicContact CD-CG2 4.26Å; K201-T249 HydrophobicContact CG-CG2 3.92Å; D203-T249 WeakPolarHBondContact CB-OG1 3.41Å; D203-T249 WeakPolarHBondContact OD2-CB 3.32Å; D203-T249 PolarHBondContact OD2-OG1 3.48Å; R227-T249 WeakPolarHBondContact O-CB 3.31Å; T249-Y251 PolarHBondContact O-N 3Å
250	N	80.5	Confident	78.4	Confident	24 Å²	24	53.3 Å²	53.3	13%	0.128	26%	0.261	C	S	.	.			trans	-60	130	-179.8	-63.7	95	0	0	0	110.9	S252 V253 N254	N250-S252 VanDerWaalsContact C-N 3.27Å; N250-S252 PolarHBondContact O-N 3.49Å; N250-V253 HydrophobicContact CB-CB 4.47Å; N250-V253 HydrophobicContact CB-CG2 4.1Å; N250-V253 PolarHBondContact O-N 3.32Å; N250-V253 VanDerWaalsContact O-N 3.08Å; N250-N254 PolarHBondContact O-N 3.45Å; N250-N254 PolarHBondContact O-ND2 2.94Å; N250-N254 VanDerWaalsContact O-ND2 3.09Å
251	Y	72.9	Confident	77.5	Confident	58 Å²	58	57.8 Å²	57.8	23%	0.227	28%	0.282	C	S	.	.	H	α-helix	trans	-55.4	-40.4	176	173.8	-109.4	0	0	0	112.5	T249 V253 N254 K255 F260 D359	T249-Y251 PolarHBondContact O-N 3Å; Y251-V253 PolarHBondContact O-N 3.27Å; Y251-N254 PolarHBondContact O-N 3.37Å; Y251-K255 HydrophobicContact CD1-CD 4.17Å; Y251-K255 HydrophobicContact CD2-CB 4.1Å; Y251-K255 HydrophobicContact CE1-CB 4.45Å; Y251-K255 HydrophobicContact CE1-CD 3.79Å; Y251-K255 HydrophobicContact CE2-CB 3.81Å; Y251-K255 WeakPolarHBondContact O-CB 3.43Å; Y251-K255 VanDerWaalsContact O-CG 3.24Å; Y251-K255 WeakPolarHBondContact O-CG 3.33Å; Y251-K255 PolarHBondContact O-N 2.92Å; Y251-F260 HydrophobicContact CD2-CE2 4.2Å; Y251-F260 AromaticContact CD2-CZ 3.77Å; Y251-F260 HydrophobicContact CD2-CZ 3.77Å; Y251-F260 HydrophobicContact CE2-CE1 4.09Å; Y251-F260 HydrophobicContact CE2-CE2 4.47Å; Y251-F260 AromaticContact CE2-CZ 3.68Å; Y251-F260 HydrophobicContact CE2-CZ 3.68Å; Y251-D359 PolarHBondContact OH-OD2 3.24Å
252	S	64	Low	76.4	Confident	29 Å²	29	64.4 Å²	64.4	20%	0.203	30%	0.304	C	S	.	.	H	α-helix	trans	-59.4	-31.2	178.1	44.6	0	0	0	0	113.9	M166 N250 H256	M166-S252 VanDerWaalsContact C-OG 3.31Å; M166-S252 WeakPolarHBondContact CA-OG 3.43Å; M166-S252 WeakPolarHBondContact CB-OG 3.34Å; M166-S252 PolarHBondContact O-OG 2.94Å; N250-S252 VanDerWaalsContact C-N 3.27Å; N250-S252 PolarHBondContact O-N 3.49Å; S252-H256 PolarHBondContact O-CE1 3.26Å; S252-H256 VanDerWaalsContact O-CE1 3.29Å; S252-H256 PolarHBondContact O-ND1 3.36Å
253	V	70	Confident	75.3	Confident	29 Å²	29	61.7 Å²	61.7	18%	0.176	29%	0.285	C	S	.	.	H	α-helix	trans	-81.5	-53.7	176.5	178.3	0	0	0	0	109	Y245 N250 Y251 K255	Y245-V253 HydrophobicContact CD1-CG1 3.9Å; Y245-V253 HydrophobicContact CE1-CG1 3.77Å; N250-V253 HydrophobicContact CB-CB 4.47Å; N250-V253 HydrophobicContact CB-CG2 4.1Å; N250-V253 PolarHBondContact O-N 3.32Å; N250-V253 VanDerWaalsContact O-N 3.08Å; Y251-V253 PolarHBondContact O-N 3.27Å; V253-K255 PolarHBondContact O-N 2.73Å
254	N	76.3	Confident	73.8	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-74.5	-26.2	-170.4	-75.1	-81.2	0	0	0	114.4	T230 L248 N250 Y251 H256 N257 F260	T230-N254 WeakPolarHBondContact CB-OD1 3.44Å; T230-N254 HydrophobicContact CG2-CB 3.73Å; T230-N254 WeakPolarHBondContact CG2-OD1 3.21Å; T230-N254 PolarHBondContact N-OD1 2.87Å; T230-N254 VanDerWaalsContact N-OD1 3.14Å; T230-N254 PolarHBondContact OG1-OD1 2.82Å; L248-N254 PolarHBondContact O-ND2 2.96Å; N250-N254 PolarHBondContact O-N 3.45Å; N250-N254 PolarHBondContact O-ND2 2.94Å; N250-N254 VanDerWaalsContact O-ND2 3.09Å; Y251-N254 PolarHBondContact O-N 3.37Å; N254-H256 PolarHBondContact O-N 3.35Å; N254-N257 WeakPolarHBondContact O-CB 3.47Å; N254-N257 PolarHBondContact O-N 3.33Å; N254-F260 HydrophobicContact CB-CD2 3.99Å; N254-F260 HydrophobicContact CB-CE2 4.27Å; N254-F260 WeakPolarHBondContact O-CB 3.27Å; N254-F260 WeakPolarHBondContact O-CD2 3.15Å
255	K	69.6	Low	72.6	Confident	76 Å²	76	63.2 Å²	63.2	33%	0.33	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-17.4	-177.6	72.1	179.1	-171	167.2	0	114.7	Y251 V253	Y251-K255 HydrophobicContact CD1-CD 4.17Å; Y251-K255 HydrophobicContact CD2-CB 4.1Å; Y251-K255 HydrophobicContact CE1-CB 4.45Å; Y251-K255 HydrophobicContact CE1-CD 3.79Å; Y251-K255 HydrophobicContact CE2-CB 3.81Å; Y251-K255 WeakPolarHBondContact O-CB 3.43Å; Y251-K255 VanDerWaalsContact O-CG 3.24Å; Y251-K255 WeakPolarHBondContact O-CG 3.33Å; Y251-K255 PolarHBondContact O-N 2.92Å; V253-K255 PolarHBondContact O-N 2.73Å
256	H	69.1	Low	71.3	Confident	135 Å²	135	65.6 Å²	65.6	63%	0.625	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-5.4	178.8	-52.3	109.2	0	0	0	112.8	S252 N254	S252-H256 PolarHBondContact O-CE1 3.26Å; S252-H256 VanDerWaalsContact O-CE1 3.29Å; S252-H256 PolarHBondContact O-ND1 3.36Å; N254-H256 PolarHBondContact O-N 3.35Å
257	N	70.9	Confident	70.1	Confident	21 Å²	21	70.2 Å²	70.2	11%	0.112	34%	0.335	C	S	.	.	S	Bend	trans	-74.6	138.2	173.7	-169.2	-38.6	0	0	0	108.9	T230 Y245 N254 H259 F260	T230-N257 HydrophobicContact CG2-CB 4.1Å; T230-N257 PolarHBondContact OG1-ND2 3.2Å; Y245-N257 HydrophobicContact CD1-CB 4.15Å; Y245-N257 WeakPolarHBondContact CD2-ND2 3.39Å; Y245-N257 HydrophobicContact CE1-CB 4.04Å; Y245-N257 VanDerWaalsContact CG-ND2 3.26Å; N254-N257 WeakPolarHBondContact O-CB 3.47Å; N254-N257 PolarHBondContact O-N 3.33Å; N257-H259 PolarHBondContact O-N 3.45Å; N257-H259 PolarHBondContact OD1-N 3.02Å; N257-F260 VanDerWaalsContact O-CB 3.27Å; N257-F260 WeakPolarHBondContact O-CB 3.35Å; N257-F260 PolarHBondContact O-N 2.83Å
258	E	66.1	Low	68.7	Low	187 Å²	187	76.2 Å²	76.2	87%	0.874	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-27.2	176.6	-62.3	-178.3	176.1	0	0	112.4	F260	E258-F260 VanDerWaalsContact C-N 3.28Å; E258-F260 PolarHBondContact O-N 3.43Å
259	H	72.3	Confident	67.9	Low	124 Å²	124	76 Å²	76	57%	0.574	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	8.9	175.9	-60.4	-57.4	0	0	0	114.2	N257 E261	N257-H259 PolarHBondContact O-N 3.45Å; N257-H259 PolarHBondContact OD1-N 3.02Å; H259-E261 PolarHBondContact O-N 2.92Å; H259-E261 VanDerWaalsContact O-N 3.15Å
260	F	67.9	Low	67.5	Low	23 Å²	23	76 Å²	76	10%	0.101	36%	0.361	C	S	.	.			trans	-75.5	103.5	176.3	-168.9	-93.9	0	0	0	111.3	T230 Y251 N254 N257 E258 R262	T230-F260 HydrophobicContact CG2-CB 4.03Å; T230-F260 HydrophobicContact CG2-CD2 3.76Å; T230-F260 HydrophobicContact CG2-CG 4.39Å; Y251-F260 HydrophobicContact CD2-CE2 4.2Å; Y251-F260 AromaticContact CD2-CZ 3.77Å; Y251-F260 HydrophobicContact CD2-CZ 3.77Å; Y251-F260 HydrophobicContact CE2-CE1 4.09Å; Y251-F260 HydrophobicContact CE2-CE2 4.47Å; Y251-F260 AromaticContact CE2-CZ 3.68Å; Y251-F260 HydrophobicContact CE2-CZ 3.68Å; N254-F260 HydrophobicContact CB-CD2 3.99Å; N254-F260 HydrophobicContact CB-CE2 4.27Å; N254-F260 WeakPolarHBondContact O-CB 3.27Å; N254-F260 WeakPolarHBondContact O-CD2 3.15Å; N257-F260 VanDerWaalsContact O-CB 3.27Å; N257-F260 WeakPolarHBondContact O-CB 3.35Å; N257-F260 PolarHBondContact O-N 2.83Å; E258-F260 VanDerWaalsContact C-N 3.28Å; E258-F260 PolarHBondContact O-N 3.43Å; F260-R262 HydrophobicContact CD1-CG 3.69Å; F260-R262 HydrophobicContact CE1-CG 3.86Å; F260-R262 PolarHBondContact O-N 3.25Å
261	E	70.9	Confident	67.9	Low	98 Å²	98	75.3 Å²	75.3	46%	0.458	36%	0.357	S	S	.	.			trans	-78.7	108.1	178.6	-66.9	-171.1	-159.5	0	0	110.5	H259 D263 K268 S270	H259-E261 PolarHBondContact O-N 2.92Å; H259-E261 VanDerWaalsContact O-N 3.15Å; E261-D263 VanDerWaalsContact C-N 3.25Å; E261-K268 VanDerWaalsContact OE2-O 3.11Å; E261-S270 PolarHBondContact N-OG 2.69Å; E261-S270 PolarHBondContact O-N 3.43Å
262	R	65.8	Low	68.7	Low	169 Å²	169	72.9 Å²	72.9	64%	0.638	35%	0.347	S	S	*	.			trans	-83.2	-1.6	174.1	-62.1	-172.5	-177.5	-168.5	2.5	113.4	F260 E264	F260-R262 HydrophobicContact CD1-CG 3.69Å; F260-R262 HydrophobicContact CE1-CG 3.86Å; F260-R262 PolarHBondContact O-N 3.25Å; R262-E264 PolarHBondContact O-N 3.26Å
263	D	63.5	Low	70.2	Confident	67 Å²	67	72.6 Å²	72.6	36%	0.358	35%	0.345	S	S	.	.			trans	-54.7	123.1	179.7	-166.7	-24.1	0	0	0	109.4	E261 T265 K268 G269	E261-D263 VanDerWaalsContact C-N 3.25Å; D263-T265 VanDerWaalsContact C-N 3.27Å; D263-T265 WeakPolarHBondContact OD1-CB 3.5Å; D263-T265 VanDerWaalsContact OD1-CG2 3.3Å; D263-T265 WeakPolarHBondContact OD1-CG2 3.39Å; D263-T265 PolarHBondContact OD1-N 3.35Å; D263-T265 PolarHBondContact OD1-OG1 3.2Å; D263-T265 PolarHBondContact OD2-OG1 2.83Å; D263-K268 HydrophobicContact CB-CB 4.3Å; D263-G269 WeakPolarHBondContact O-CA 3.48Å; D263-G269 PolarHBondContact O-N 2.79Å
264	E	56.1	Low	71.5	Confident	100 Å²	100	71.2 Å²	71.2	47%	0.467	34%	0.337	S	S	.	.			trans	-85.7	-1.1	-178.3	-60.2	-164.3	146.8	0	0	112.2	R262 E266 Q360 K361	R262-E264 PolarHBondContact O-N 3.26Å; E264-E266 PolarHBondContact O-N 2.97Å; E264-Q360 WeakPolarHBondContact OE1-CA 3.28Å; E264-K361 PolarHBondContact OE1-N 3.38Å
265	T	59	Low	72.5	Confident	74 Å²	74	76.9 Å²	76.9	45%	0.454	36%	0.361	S	S	.	.	S	Bend	trans	-61.7	129	169.6	55.9	0	0	0	0	109.4	D263 N267 K268	D263-T265 VanDerWaalsContact C-N 3.27Å; D263-T265 WeakPolarHBondContact OD1-CB 3.5Å; D263-T265 VanDerWaalsContact OD1-CG2 3.3Å; D263-T265 WeakPolarHBondContact OD1-CG2 3.39Å; D263-T265 PolarHBondContact OD1-N 3.35Å; D263-T265 PolarHBondContact OD1-OG1 3.2Å; D263-T265 PolarHBondContact OD2-OG1 2.83Å; T265-N267 PolarHBondContact O-N 3.06Å; T265-K268 PolarHBondContact O-N 3.46Å
266	E	55	Low	73.7	Confident	136 Å²	136	74.1 Å²	74.1	64%	0.636	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-24.1	-167	-75	-179.1	153	0	0	114.6	E264 W276	E264-E266 PolarHBondContact O-N 2.97Å; E266-W276 PolarHBondContact O-NE1 3.12Å; E266-W276 VanDerWaalsContact O-NE1 3.16Å
267	N	60.7	Low	75	Confident	105 Å²	105	67.7 Å²	67.7	56%	0.561	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	1.9	-173	-63.8	-32.1	0	0	0	115.2	T265 R272 W276	T265-N267 PolarHBondContact O-N 3.06Å; N267-R272 PolarHBondContact O-NH2 3.33Å; N267-R272 VanDerWaalsContact O-NH2 3.11Å; N267-W276 PolarHBondContact OD1-NE1 2.63Å
268	K	61.4	Low	76.2	Confident	126 Å²	126	67.6 Å²	67.6	55%	0.548	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.3	-32.2	-175.1	-63.2	-171.8	178.7	179.5	0	114.6	E261 D263 T265	E261-K268 VanDerWaalsContact OE2-O 3.11Å; D263-K268 HydrophobicContact CB-CB 4.3Å; T265-K268 PolarHBondContact O-N 3.46Å
269	G	69.1	Low	77.7	Confident	2 Å²	2	63.2 Å²	63.2	2%	0.021	30%	0.299	C	S	.	.			trans	-61.2	145	-177.2	0	0	0	0	0	115	D263 K271 R272	D263-G269 WeakPolarHBondContact O-CA 3.48Å; D263-G269 PolarHBondContact O-N 2.79Å; G269-K271 PolarHBondContact O-N 2.81Å; G269-R272 PolarHBondContact O-NE 3.2Å
270	S	77.4	Confident	78.8	Confident	11 Å²	11	59 Å²	59	8%	0.077	28%	0.279	C	S	.	.	S	Bend	trans	-71.6	-2.1	172.5	-54.4	0	0	0	0	113.7	M228 E261	M228-S270 WeakPolarHBondContact CB-O 3.47Å; M228-S270 PolarHBondContact N-O 3.38Å; E261-S270 PolarHBondContact N-OG 2.69Å; E261-S270 PolarHBondContact O-N 3.43Å
271	K	87.4	Confident	80.2	Confident	11 Å²	11	58 Å²	58	5%	0.048	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	124.8	171.6	-171.7	-173	-66	156.7	0	108.3	L225 V226 G269 Q360 I362 D363	L225-K271 HydrophobicContact CD2-CD 4.5Å; V226-K271 WeakPolarHBondContact O-CA 3.5Å; G269-K271 PolarHBondContact O-N 2.81Å; K271-Q360 VanDerWaalsContact CE-OE1 3.29Å; K271-I362 WeakPolarHBondContact O-CD1 3.48Å; K271-D363 IonicContact NZ-OD1 3.69Å; K271-D363 IonicContact NZ-OD2 3.73Å; K271-D363 PolarHBondContact NZ-OD2 2.83Å
272	R	91.1	Very high	81.5	Confident	6 Å²	6	59.3 Å²	59.3	2%	0.023	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	161.4	179	-55.1	-173.3	-171.4	171.9	4.7	109.9	E198 V226 N267 G269 W276	E198-R272 IonicContact OE1-CZ 3.11Å; E198-R272 IonicContact OE1-NH1 3.73Å; E198-R272 PolarHBondContact OE1-NH1 3.3Å; E198-R272 IonicContact OE1-NH2 2.81Å; E198-R272 IonicContact OE2-CZ 2.82Å; E198-R272 IonicContact OE2-NH1 3.81Å; E198-R272 IonicContact OE2-NH2 3.42Å; E198-R272 PolarHBondContact OE2-NH2 3.41Å; V226-R272 HydrophobicContact CB-CB 4.25Å; V226-R272 PolarHBondContact N-O 3.09Å; V226-R272 PolarHBondContact O-N 3.41Å; V226-R272 VanDerWaalsContact O-N 3.1Å; N267-R272 PolarHBondContact O-NH2 3.33Å; N267-R272 VanDerWaalsContact O-NH2 3.11Å; G269-R272 PolarHBondContact O-NE 3.2Å; R272-W276 HydrophobicContact CB-CD2 4.14Å; R272-W276 HydrophobicContact CB-CE3 3.66Å; R272-W276 HydrophobicContact CB-CZ3 4.3Å; R272-W276 HydrophobicContact CG-CD2 4.44Å; R272-W276 HydrophobicContact CG-CE3 4.1Å; R272-W276 HydrophobicContact CG-CZ3 4.43Å
273	S	94.9	Very high	83	Confident	23 Å²	23	55 Å²	55	16%	0.161	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	155.9	172	65.8	0	0	0	0	110.6	G224 W276 F277	G224-S273 WeakPolarHBondContact O-CA 3.35Å; S273-W276 PolarHBondContact O-N 3.14Å; S273-W276 WeakPolarHBondContact OG-CB 3.27Å; S273-W276 PolarHBondContact OG-N 3.49Å; S273-F277 PolarHBondContact O-N 2.79Å; S273-F277 VanDerWaalsContact O-N 3.14Å
274	I	97.3	Very high	84.5	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-69	-31.2	172.1	-69.2	-178.1	0	0	0	110.3	L204 I206 D223 G224 V226 W276 F277 T278 F291 W292	L204-I274 HydrophobicContact CB-CD1 4.31Å; L204-I274 HydrophobicContact CD2-CD1 4.29Å; L204-I274 HydrophobicContact CD2-CG1 4.19Å; I206-I274 HydrophobicContact CD1-CD1 4.27Å; I206-I274 HydrophobicContact CG1-CD1 3.65Å; D223-I274 PolarHBondContact OD1-N 2.94Å; D223-I274 VanDerWaalsContact OD1-N 3.07Å; G224-I274 PolarHBondContact O-N 3.29Å; G224-I274 VanDerWaalsContact O-N 3.1Å; V226-I274 HydrophobicContact CG2-CG1 3.99Å; I274-W276 PolarHBondContact O-N 3.46Å; I274-F277 CarbonylContact O-C 3.58Å; I274-F277 WeakPolarHBondContact O-CA 3.03Å; I274-F277 WeakPolarHBondContact O-CB 3.39Å; I274-F277 PolarHBondContact O-N 3.28Å; I274-F277 VanDerWaalsContact O-N 3.07Å; I274-T278 HydrophobicContact CG2-CG2 4.23Å; I274-T278 WeakPolarHBondContact O-CG2 3.5Å; I274-T278 PolarHBondContact O-N 2.91Å; I274-T278 PolarHBondContact O-OG1 3.37Å; I274-F291 HydrophobicContact CG2-CE1 4.41Å; I274-W292 HydrophobicContact CG2-CH2 3.6Å; I274-W292 HydrophobicContact CG2-CZ2 3.63Å
275	K	96.3	Very high	86.5	Confident	120 Å²	120	59.7 Å²	59.7	52%	0.522	30%	0.304	S	S	.	.	H	α-helix	trans	-53.6	-53	171.5	-174.3	-174.7	173.6	-162.8	0	111.7	D223 F277 T278 E279	D223-K275 PolarHBondContact OD1-N 3.44Å; K275-F277 VanDerWaalsContact C-N 3.26Å; K275-F277 PolarHBondContact O-N 2.83Å; K275-T278 PolarHBondContact O-N 3.38Å; K275-T278 VanDerWaalsContact O-N 3.14Å; K275-T278 PolarHBondContact O-OG1 2.98Å; K275-E279 WeakPolarHBondContact CE-OE1 3.44Å; K275-E279 PolarHBondContact O-N 2.88Å; K275-E279 VanDerWaalsContact O-N 3.14Å
276	W	95.1	Very high	88.3	Confident	18 Å²	18	59.2 Å²	59.2	7%	0.068	30%	0.296	C	S	.	.	H	α-helix	trans	-57.4	-41.1	174.6	172.3	92.7	0	0	0	111.2	M197 E266 N267 R272 S273 I274 T278 E279 F280	M197-W276 HydrophobicContact CE-CH2 4.21Å; M197-W276 HydrophobicContact CE-CZ3 3.64Å; M197-W276 HydrophobicContact CG-CH2 4.3Å; M197-W276 HydrophobicContact SD-CH2 3.49Å; M197-W276 WeakPolarHBondContact SD-CH2 3.46Å; M197-W276 HydrophobicContact SD-CZ3 3.36Å; M197-W276 WeakPolarHBondContact SD-CZ3 3.49Å; E266-W276 PolarHBondContact O-NE1 3.12Å; E266-W276 VanDerWaalsContact O-NE1 3.16Å; N267-W276 PolarHBondContact OD1-NE1 2.63Å; R272-W276 HydrophobicContact CB-CD2 4.14Å; R272-W276 HydrophobicContact CB-CE3 3.66Å; R272-W276 HydrophobicContact CB-CZ3 4.3Å; R272-W276 HydrophobicContact CG-CD2 4.44Å; R272-W276 HydrophobicContact CG-CE3 4.1Å; R272-W276 HydrophobicContact CG-CZ3 4.43Å; S273-W276 PolarHBondContact O-N 3.14Å; S273-W276 WeakPolarHBondContact OG-CB 3.27Å; S273-W276 PolarHBondContact OG-N 3.49Å; I274-W276 PolarHBondContact O-N 3.46Å; W276-T278 VanDerWaalsContact C-N 3.33Å; W276-T278 PolarHBondContact O-N 3.41Å; W276-E279 WeakPolarHBondContact O-CB 3.43Å; W276-E279 PolarHBondContact O-N 2.84Å; W276-E279 VanDerWaalsContact O-N 3.16Å; W276-F280 HydrophobicContact CH2-CB 3.72Å; W276-F280 AromaticContact CH2-CD2 3.79Å; W276-F280 HydrophobicContact CH2-CD2 3.79Å; W276-F280 AromaticContact CH2-CG 3.83Å; W276-F280 HydrophobicContact CH2-CG 3.83Å; W276-F280 HydrophobicContact CZ2-CB 4.13Å; W276-F280 HydrophobicContact CZ2-CD2 4.24Å; W276-F280 HydrophobicContact CZ2-CG 4.48Å; W276-F280 HydrophobicContact CZ3-CB 3.99Å; W276-F280 HydrophobicContact CZ3-CG 4.32Å; W276-F280 PolarHBondContact O-N 2.87Å
277	F	96.5	Very high	90.4	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-64.7	-35.7	178.7	171	-114.8	0	0	0	113.2	F195 M197 F202 L204 V226 S273 I274 K275 E279 F280 L281 F291 L339	F195-F277 HydrophobicContact CE1-CE2 4.2Å; M197-F277 HydrophobicContact CE-CD2 3.37Å; M197-F277 HydrophobicContact CE-CE2 3.81Å; M197-F277 HydrophobicContact CE-CG 4.34Å; F202-F277 HydrophobicContact CE1-CE2 4.44Å; F202-F277 HydrophobicContact CE2-CE2 4.02Å; F202-F277 AromaticContact CE2-CZ 4Å; F202-F277 HydrophobicContact CE2-CZ 4Å; F202-F277 HydrophobicContact CZ-CD2 4.38Å; F202-F277 AromaticContact CZ-CE2 3.57Å; F202-F277 HydrophobicContact CZ-CE2 3.57Å; F202-F277 AromaticContact CZ-CZ 3.74Å; F202-F277 HydrophobicContact CZ-CZ 3.74Å; L204-F277 HydrophobicContact CD1-CE1 4.22Å; L204-F277 HydrophobicContact CD2-CD1 4.17Å; L204-F277 HydrophobicContact CD2-CE1 4.33Å; V226-F277 HydrophobicContact CG2-CB 3.72Å; V226-F277 HydrophobicContact CG2-CG 4.25Å; S273-F277 PolarHBondContact O-N 2.79Å; S273-F277 VanDerWaalsContact O-N 3.14Å; I274-F277 CarbonylContact O-C 3.58Å; I274-F277 WeakPolarHBondContact O-CA 3.03Å; I274-F277 WeakPolarHBondContact O-CB 3.39Å; I274-F277 PolarHBondContact O-N 3.28Å; I274-F277 VanDerWaalsContact O-N 3.07Å; K275-F277 VanDerWaalsContact C-N 3.26Å; K275-F277 PolarHBondContact O-N 2.83Å; F277-E279 VanDerWaalsContact C-N 3.33Å; F277-F280 HydrophobicContact CD2-CD1 4.08Å; F277-F280 HydrophobicContact CE2-CD1 4.16Å; F277-F280 WeakPolarHBondContact O-CB 3.27Å; F277-F280 PolarHBondContact O-N 3.31Å; F277-L281 HydrophobicContact CD1-CD1 4.23Å; F277-L281 HydrophobicContact CD2-CG 4.33Å; F277-L281 HydrophobicContact CE1-CD1 3.59Å; F277-L281 HydrophobicContact CE1-CG 4.04Å; F277-L281 HydrophobicContact CE2-CD1 4.31Å; F277-L281 HydrophobicContact CE2-CD2 3.84Å; F277-L281 HydrophobicContact CE2-CG 3.85Å; F277-L281 HydrophobicContact CZ-CD1 3.63Å; F277-L281 HydrophobicContact CZ-CD2 3.72Å; F277-L281 HydrophobicContact CZ-CG 3.68Å; F277-L281 WeakPolarHBondContact O-CG 3.37Å; F277-L281 PolarHBondContact O-N 3.38Å; F277-F291 HydrophobicContact CD1-CZ 4.41Å; F277-F291 HydrophobicContact CE1-CE2 4.02Å; F277-F291 HydrophobicContact CE1-CZ 4.08Å; F277-L339 HydrophobicContact CE1-CD1 3.8Å; F277-L339 HydrophobicContact CZ-CD1 3.58Å
278	T	97.4	Very high	92.1	Very high	19 Å²	19	53.6 Å²	53.6	12%	0.117	27%	0.272	C	S	.	.	H	α-helix	trans	-68.5	-34.2	174.7	55	0	0	0	0	112.1	I274 K275 W276 L281 Q282 V288 F291 W292	I274-T278 HydrophobicContact CG2-CG2 4.23Å; I274-T278 WeakPolarHBondContact O-CG2 3.5Å; I274-T278 PolarHBondContact O-N 2.91Å; I274-T278 PolarHBondContact O-OG1 3.37Å; K275-T278 PolarHBondContact O-N 3.38Å; K275-T278 VanDerWaalsContact O-N 3.14Å; K275-T278 PolarHBondContact O-OG1 2.98Å; W276-T278 VanDerWaalsContact C-N 3.33Å; W276-T278 PolarHBondContact O-N 3.41Å; T278-L281 PolarHBondContact O-N 2.83Å; T278-Q282 WeakPolarHBondContact O-CB 3.28Å; T278-Q282 PolarHBondContact O-N 3Å; T278-V288 HydrophobicContact CG2-CG1 3.94Å; T278-V288 WeakPolarHBondContact O-CG2 3.43Å; T278-F291 HydrophobicContact CG2-CD1 4.24Å; T278-F291 HydrophobicContact CG2-CE1 4.03Å; T278-W292 HydrophobicContact CG2-CZ2 4Å
279	E	96.7	Very high	93.9	Very high	96 Å²	96	51.1 Å²	51.1	45%	0.449	28%	0.275	S	S	.	.	H	α-helix	trans	-66.5	-40.8	171.7	-66.6	163.7	-175.6	0	0	110.8	K275 W276 F277 Q282 A283	K275-E279 WeakPolarHBondContact CE-OE1 3.44Å; K275-E279 PolarHBondContact O-N 2.88Å; K275-E279 VanDerWaalsContact O-N 3.14Å; W276-E279 WeakPolarHBondContact O-CB 3.43Å; W276-E279 PolarHBondContact O-N 2.84Å; W276-E279 VanDerWaalsContact O-N 3.16Å; F277-E279 VanDerWaalsContact C-N 3.33Å; E279-Q282 PolarHBondContact O-N 3.44Å; E279-A283 WeakPolarHBondContact O-CB 3.44Å; E279-A283 PolarHBondContact O-N 2.84Å
280	F	95.5	Very high	95.3	Very high	36 Å²	36	56.2 Å²	56.2	16%	0.158	30%	0.296	C	S	.	.	H	α-helix	trans	-59.3	-46.8	171.5	170.2	-89.1	0	0	0	112.2	F195 M197 W276 F277 Q282 A283 N284	F195-F280 HydrophobicContact CE1-CE1 4.02Å; F195-F280 HydrophobicContact CZ-CE1 4.32Å; M197-F280 HydrophobicContact CG-CE2 4.48Å; M197-F280 HydrophobicContact CG-CZ 4.33Å; W276-F280 HydrophobicContact CH2-CB 3.72Å; W276-F280 AromaticContact CH2-CD2 3.79Å; W276-F280 HydrophobicContact CH2-CD2 3.79Å; W276-F280 AromaticContact CH2-CG 3.83Å; W276-F280 HydrophobicContact CH2-CG 3.83Å; W276-F280 HydrophobicContact CZ2-CB 4.13Å; W276-F280 HydrophobicContact CZ2-CD2 4.24Å; W276-F280 HydrophobicContact CZ2-CG 4.48Å; W276-F280 HydrophobicContact CZ3-CB 3.99Å; W276-F280 HydrophobicContact CZ3-CG 4.32Å; W276-F280 PolarHBondContact O-N 2.87Å; F277-F280 HydrophobicContact CD2-CD1 4.08Å; F277-F280 HydrophobicContact CE2-CD1 4.16Å; F277-F280 WeakPolarHBondContact O-CB 3.27Å; F277-F280 PolarHBondContact O-N 3.31Å; F280-Q282 VanDerWaalsContact C-N 3.32Å; F280-Q282 PolarHBondContact O-N 2.71Å; F280-A283 PolarHBondContact O-N 2.82Å; F280-N284 WeakPolarHBondContact CD2-ND2 3.28Å; F280-N284 VanDerWaalsContact CE2-ND2 3.31Å; F280-N284 WeakPolarHBondContact CE2-ND2 3.35Å; F280-N284 WeakPolarHBondContact CZ-ND2 3.42Å; F280-N284 WeakPolarHBondContact O-CB 3.44Å; F280-N284 PolarHBondContact O-N 3.25Å; F280-N284 PolarHBondContact O-ND2 2.96Å
281	L	97.3	Very high	96.3	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-60	-44.3	176.3	-74.9	-177.6	0	0	0	111.3	F195 F277 T278 N284 Q285 H286 V288 F291 L343	F195-L281 HydrophobicContact CE1-CD2 4.06Å; F195-L281 HydrophobicContact CZ-CD2 4.01Å; F277-L281 HydrophobicContact CD1-CD1 4.23Å; F277-L281 HydrophobicContact CD2-CG 4.33Å; F277-L281 HydrophobicContact CE1-CD1 3.59Å; F277-L281 HydrophobicContact CE1-CG 4.04Å; F277-L281 HydrophobicContact CE2-CD1 4.31Å; F277-L281 HydrophobicContact CE2-CD2 3.84Å; F277-L281 HydrophobicContact CE2-CG 3.85Å; F277-L281 HydrophobicContact CZ-CD1 3.63Å; F277-L281 HydrophobicContact CZ-CD2 3.72Å; F277-L281 HydrophobicContact CZ-CG 3.68Å; F277-L281 WeakPolarHBondContact O-CG 3.37Å; F277-L281 PolarHBondContact O-N 3.38Å; T278-L281 PolarHBondContact O-N 2.83Å; L281-N284 CarbonylContact O-C 3.34Å; L281-N284 PolarHBondContact O-N 2.95Å; L281-Q285 PolarHBondContact O-N 3.18Å; L281-Q285 VanDerWaalsContact O-N 3.13Å; L281-H286 HydrophobicContact CB-CB 4.05Å; L281-H286 HydrophobicContact CD2-CB 3.95Å; L281-H286 WeakPolarHBondContact O-CB 3.37Å; L281-H286 PolarHBondContact O-N 3.14Å; L281-V288 HydrophobicContact CB-CG2 3.9Å; L281-F291 HydrophobicContact CD1-CB 4.38Å; L281-F291 HydrophobicContact CD1-CD2 4.47Å; L281-F291 HydrophobicContact CD1-CG 4.2Å; L281-L343 HydrophobicContact CD2-CD1 4.18Å; L281-L343 HydrophobicContact CD2-CD2 3.92Å
282	Q	97.4	Very high	96.8	Very high	126 Å²	126	56.2 Å²	56.2	59%	0.589	29%	0.294	S	S	*	.	H	α-helix	trans	-62.5	-45	178.6	-171.6	64.5	41	0	0	111.7	T278 E279 F280 N284 Q285 V288	T278-Q282 WeakPolarHBondContact O-CB 3.28Å; T278-Q282 PolarHBondContact O-N 3Å; E279-Q282 PolarHBondContact O-N 3.44Å; F280-Q282 VanDerWaalsContact C-N 3.32Å; F280-Q282 PolarHBondContact O-N 2.71Å; Q282-N284 PolarHBondContact O-N 2.97Å; Q282-Q285 PolarHBondContact O-N 3.13Å; Q282-Q285 VanDerWaalsContact O-N 3.07Å; Q282-V288 HydrophobicContact CB-CG2 4.17Å
283	A	97.2	Very high	97.2	Very high	79 Å²	79	58.7 Å²	58.7	65%	0.653	31%	0.313	S	S	*	.	H	α-helix	trans	-62.4	-32	176.7	0	0	0	0	0	112.3	E279 F280 Q285	E279-A283 WeakPolarHBondContact O-CB 3.44Å; E279-A283 PolarHBondContact O-N 2.84Å; F280-A283 PolarHBondContact O-N 2.82Å; A283-Q285 VanDerWaalsContact C-N 3.32Å
284	N	96.1	Very high	97.3	Very high	83 Å²	83	59.4 Å²	59.4	44%	0.444	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	18.3	175.7	-68.9	-87	0	0	0	113.4	F280 L281 Q282 H286	F280-N284 WeakPolarHBondContact CD2-ND2 3.28Å; F280-N284 VanDerWaalsContact CE2-ND2 3.31Å; F280-N284 WeakPolarHBondContact CE2-ND2 3.35Å; F280-N284 WeakPolarHBondContact CZ-ND2 3.42Å; F280-N284 WeakPolarHBondContact O-CB 3.44Å; F280-N284 PolarHBondContact O-N 3.25Å; F280-N284 PolarHBondContact O-ND2 2.96Å; L281-N284 CarbonylContact O-C 3.34Å; L281-N284 PolarHBondContact O-N 2.95Å; Q282-N284 PolarHBondContact O-N 2.97Å; N284-H286 VanDerWaalsContact C-N 3.28Å; N284-H286 PolarHBondContact O-N 3.24Å
285	Q	97.3	Very high	97.4	Very high	182 Å²	182	59.4 Å²	59.4	85%	0.85	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	32.7	172.6	-57.1	166.4	0.5	0	0	114.3	L281 Q282 A283	L281-Q285 PolarHBondContact O-N 3.18Å; L281-Q285 VanDerWaalsContact O-N 3.13Å; Q282-Q285 PolarHBondContact O-N 3.13Å; Q282-Q285 VanDerWaalsContact O-N 3.07Å; A283-Q285 VanDerWaalsContact C-N 3.32Å
286	H	97.6	Very high	97.5	Very high	65 Å²	65	54.8 Å²	54.8	30%	0.301	30%	0.297	S	S	.	.			trans	-95.3	148.8	171.5	-65.3	-53.8	0	0	0	111.8	F195 L281 N284 V288 L343	F195-H286 AromaticContact CE2-NE2 3.61Å; F195-H286 AromaticContact CZ-CD2 3.88Å; F195-H286 AromaticContact CZ-NE2 3.59Å; L281-H286 HydrophobicContact CB-CB 4.05Å; L281-H286 HydrophobicContact CD2-CB 3.95Å; L281-H286 WeakPolarHBondContact O-CB 3.37Å; L281-H286 PolarHBondContact O-N 3.14Å; N284-H286 VanDerWaalsContact C-N 3.28Å; N284-H286 PolarHBondContact O-N 3.24Å; H286-V288 PolarHBondContact O-N 2.67Å; H286-V288 VanDerWaalsContact O-N 3.15Å; H286-L343 HydrophobicContact CB-CD1 3.68Å
287	D	98.1	Very high	97.7	Very high	98 Å²	98	56 Å²	56	52%	0.524	30%	0.304	S	S	.	.			trans	-78.4	99.7	-178.8	-173.8	-14.9	0	0	0	111.6	A289 K290 F291	D287-A289 VanDerWaalsContact C-N 3.35Å; D287-A289 WeakPolarHBondContact OD1-CB 3.13Å; D287-A289 PolarHBondContact OD1-N 3.14Å; D287-K290 HydrophobicContact CB-CB 3.9Å; D287-K290 PolarHBondContact OD1-N 3.43Å; D287-K290 WeakPolarHBondContact OD2-CB 3.03Å; D287-F291 PolarHBondContact O-N 3.47Å
288	V	98.2	Very high	97.8	Very high	25 Å²	25	56.1 Å²	56.1	15%	0.152	30%	0.304	C	S	.	.	H	α-helix	trans	-68	-33.2	178.3	177.9	0	0	0	0	112	T278 L281 Q282 H286 F291 W292	T278-V288 HydrophobicContact CG2-CG1 3.94Å; T278-V288 WeakPolarHBondContact O-CG2 3.43Å; L281-V288 HydrophobicContact CB-CG2 3.9Å; Q282-V288 HydrophobicContact CB-CG2 4.17Å; H286-V288 PolarHBondContact O-N 2.67Å; H286-V288 VanDerWaalsContact O-N 3.15Å; V288-F291 WeakPolarHBondContact O-CB 3.37Å; V288-F291 PolarHBondContact O-N 2.87Å; V288-W292 VanDerWaalsContact O-CD1 3.27Å; V288-W292 PolarHBondContact O-N 3.1Å; V288-W292 VanDerWaalsContact O-N 3.09Å
289	A	98	Very high	97.9	Very high	74 Å²	74	55.2 Å²	55.2	61%	0.612	30%	0.299	S	S	*	.	H	α-helix	trans	-68	-43.8	178.9	0	0	0	0	0	110.4	D287 W292 S293	D287-A289 VanDerWaalsContact C-N 3.35Å; D287-A289 WeakPolarHBondContact OD1-CB 3.13Å; D287-A289 PolarHBondContact OD1-N 3.14Å; A289-W292 PolarHBondContact O-N 3.48Å; A289-S293 WeakPolarHBondContact O-CB 3.46Å; A289-S293 PolarHBondContact O-N 3.47Å
290	K	98.2	Very high	98	Very high	109 Å²	109	50.6 Å²	50.6	47%	0.474	28%	0.277	S	S	.	.	H	α-helix	trans	-61.4	-42	172.3	178.1	166.5	174.6	44.8	0	112.3	D287 W292 S293 D294	D287-K290 HydrophobicContact CB-CB 3.9Å; D287-K290 PolarHBondContact OD1-N 3.43Å; D287-K290 WeakPolarHBondContact OD2-CB 3.03Å; K290-W292 PolarHBondContact O-N 3.37Å; K290-S293 PolarHBondContact O-N 2.95Å; K290-D294 WeakPolarHBondContact CE-OD2 3.48Å; K290-D294 IonicContact NZ-OD1 3.76Å; K290-D294 PolarHBondContact NZ-OD1 2.88Å; K290-D294 IonicContact NZ-OD2 3.82Å; K290-D294 PolarHBondContact NZ-OD2 2.88Å; K290-D294 WeakPolarHBondContact O-CB 3.41Å; K290-D294 VanDerWaalsContact O-CG 3.32Å; K290-D294 PolarHBondContact O-N 3.43Å
291	F	98.4	Very high	98.1	Very high	5 Å²	5	49.7 Å²	49.7	2%	0.022	27%	0.273	C	S	.	.	H	α-helix	trans	-54.1	-52.4	174.9	161.9	-101.6	0	0	0	111.4	L204 I274 F277 T278 L281 D287 V288 S293 D294 I295 L339	L204-F291 HydrophobicContact CD1-CE2 3.65Å; L204-F291 HydrophobicContact CD1-CZ 3.77Å; I274-F291 HydrophobicContact CG2-CE1 4.41Å; F277-F291 HydrophobicContact CD1-CZ 4.41Å; F277-F291 HydrophobicContact CE1-CE2 4.02Å; F277-F291 HydrophobicContact CE1-CZ 4.08Å; T278-F291 HydrophobicContact CG2-CD1 4.24Å; T278-F291 HydrophobicContact CG2-CE1 4.03Å; L281-F291 HydrophobicContact CD1-CB 4.38Å; L281-F291 HydrophobicContact CD1-CD2 4.47Å; L281-F291 HydrophobicContact CD1-CG 4.2Å; D287-F291 PolarHBondContact O-N 3.47Å; V288-F291 WeakPolarHBondContact O-CB 3.37Å; V288-F291 PolarHBondContact O-N 2.87Å; F291-S293 VanDerWaalsContact C-N 3.35Å; F291-S293 PolarHBondContact O-N 3.38Å; F291-D294 PolarHBondContact O-N 2.9Å; F291-I295 HydrophobicContact CD2-CG1 4.13Å; F291-I295 HydrophobicContact CE2-CD1 4.1Å; F291-I295 HydrophobicContact CE2-CG1 3.79Å; F291-I295 HydrophobicContact CZ-CG1 4.07Å; F291-I295 WeakPolarHBondContact O-CG1 3.45Å; F291-I295 PolarHBondContact O-N 3.35Å; F291-L339 HydrophobicContact CD2-CD1 4.21Å; F291-L339 HydrophobicContact CD2-CD2 4.39Å; F291-L339 HydrophobicContact CE2-CD1 3.96Å; F291-L339 HydrophobicContact CE2-CD2 4.15Å
292	W	98.5	Very high	98.2	Very high	16 Å²	16	49.7 Å²	49.7	6%	0.061	27%	0.273	C	S	.	.	H	α-helix	trans	-67.3	-34.5	179.1	-74.7	115.6	0	0	0	113.2	L220 H222 I274 T278 V288 A289 K290 S296	L220-W292 HydrophobicContact CD1-CE3 4.31Å; L220-W292 HydrophobicContact CD1-CZ3 4.31Å; L220-W292 HydrophobicContact CD2-CE3 3.75Å; L220-W292 HydrophobicContact CD2-CH2 4.47Å; L220-W292 HydrophobicContact CD2-CZ3 3.57Å; L220-W292 HydrophobicContact CG-CZ3 4.39Å; H222-W292 AromaticContact CD2-CD2 3.62Å; H222-W292 AromaticContact CD2-CE2 3.65Å; H222-W292 AromaticContact CD2-CE3 3.96Å; H222-W292 AromaticContact CD2-CZ2 3.97Å; H222-W292 AromaticContact CE1-CD1 3.53Å; H222-W292 AromaticContact CE1-CD2 3.97Å; H222-W292 AromaticContact CE1-CE2 3.4Å; H222-W292 AromaticContact CE1-CZ2 3.9Å; H222-W292 AromaticContact CE1-NE1 3.13Å; H222-W292 PolarHBondContact CE1-NE1 2.91Å; H222-W292 AromaticContact CG-CE2 3.96Å; H222-W292 AromaticContact CG-CZ2 3.88Å; H222-W292 AromaticContact ND1-CE2 3.8Å; H222-W292 AromaticContact ND1-CZ2 3.82Å; H222-W292 AromaticContact ND1-NE1 3.9Å; H222-W292 AromaticContact NE2-CD1 3.27Å; H222-W292 VanDerWaalsContact NE2-CD1 3.27Å; H222-W292 AromaticContact NE2-CD2 3.38Å; H222-W292 AromaticContact NE2-CE2 3.32Å; H222-W292 VanDerWaalsContact NE2-CE2 3.32Å; H222-W292 AromaticContact NE2-CG 3.33Å; H222-W292 VanDerWaalsContact NE2-CG 3.33Å; H222-W292 AromaticContact NE2-NE1 3.27Å; H222-W292 PolarHBondContact NE2-NE1 3.2Å; I274-W292 HydrophobicContact CG2-CH2 3.6Å; I274-W292 HydrophobicContact CG2-CZ2 3.63Å; T278-W292 HydrophobicContact CG2-CZ2 4Å; V288-W292 VanDerWaalsContact O-CD1 3.27Å; V288-W292 PolarHBondContact O-N 3.1Å; V288-W292 VanDerWaalsContact O-N 3.09Å; A289-W292 PolarHBondContact O-N 3.48Å; K290-W292 PolarHBondContact O-N 3.37Å; W292-S296 VanDerWaalsContact O-CB 3.28Å; W292-S296 WeakPolarHBondContact O-CB 3.46Å; W292-S296 PolarHBondContact O-N 2.79Å; W292-S296 PolarHBondContact O-OG 3.5Å
293	S	98.4	Very high	98.3	Very high	59 Å²	59	43.9 Å²	43.9	41%	0.413	25%	0.246	S	C	.	.	H	α-helix	trans	-61.9	-50.3	174.1	-172.8	0	0	0	0	111.6	A289 K290 F291 I295 S296 E297	A289-S293 WeakPolarHBondContact O-CB 3.46Å; A289-S293 PolarHBondContact O-N 3.47Å; K290-S293 PolarHBondContact O-N 2.95Å; F291-S293 VanDerWaalsContact C-N 3.35Å; F291-S293 PolarHBondContact O-N 3.38Å; S293-I295 VanDerWaalsContact C-N 3.34Å; S293-I295 PolarHBondContact O-N 3.23Å; S293-S296 PolarHBondContact O-N 3.17Å; S293-E297 PolarHBondContact O-N 2.87Å
294	D	98.6	Very high	98.3	Very high	38 Å²	38	40.1 Å²	40.1	20%	0.203	22%	0.215	C	C	.	.	H	α-helix	trans	-64.2	-38.9	-178.9	-69.8	-15.7	0	0	0	111.4	K290 F291 L298 P345	K290-D294 WeakPolarHBondContact CE-OD2 3.48Å; K290-D294 IonicContact NZ-OD1 3.76Å; K290-D294 PolarHBondContact NZ-OD1 2.88Å; K290-D294 IonicContact NZ-OD2 3.82Å; K290-D294 PolarHBondContact NZ-OD2 2.88Å; K290-D294 WeakPolarHBondContact O-CB 3.41Å; K290-D294 VanDerWaalsContact O-CG 3.32Å; K290-D294 PolarHBondContact O-N 3.43Å; F291-D294 PolarHBondContact O-N 2.9Å; D294-L298 WeakPolarHBondContact O-CB 3.5Å; D294-L298 PolarHBondContact O-N 3.08Å; D294-P345 HydrophobicContact CB-CG 3.73Å
295	I	98.8	Very high	98.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.7	-45.1	173.8	-66.9	-70.9	0	0	0	111.2	I206 L220 F291 S293 E297 L298 V299 I337 P345	I206-I295 HydrophobicContact CD1-CB 4.48Å; I206-I295 HydrophobicContact CD1-CD1 3.89Å; I206-I295 HydrophobicContact CD1-CG1 4.21Å; I206-I295 HydrophobicContact CD1-CG2 3.47Å; I206-I295 VanDerWaalsContact CD1-CG2 3.47Å; L220-I295 HydrophobicContact CD1-CG2 3.61Å; F291-I295 HydrophobicContact CD2-CG1 4.13Å; F291-I295 HydrophobicContact CE2-CD1 4.1Å; F291-I295 HydrophobicContact CE2-CG1 3.79Å; F291-I295 HydrophobicContact CZ-CG1 4.07Å; F291-I295 WeakPolarHBondContact O-CG1 3.45Å; F291-I295 PolarHBondContact O-N 3.35Å; S293-I295 VanDerWaalsContact C-N 3.34Å; S293-I295 PolarHBondContact O-N 3.23Å; I295-E297 PolarHBondContact O-N 3.44Å; I295-L298 WeakPolarHBondContact O-CB 3.32Å; I295-L298 PolarHBondContact O-N 3Å; I295-V299 HydrophobicContact CG2-CG2 4.45Å; I295-V299 WeakPolarHBondContact O-CG2 3.45Å; I295-V299 PolarHBondContact O-N 3.38Å; I295-I337 HydrophobicContact CD1-CD1 3.66Å; I295-I337 HydrophobicContact CD1-CG2 3.79Å; I295-I337 HydrophobicContact CG2-CD1 4.34Å; I295-P345 HydrophobicContact CD1-CB 3.52Å; I295-P345 HydrophobicContact CD1-CG 4.16Å; I295-P345 HydrophobicContact CG1-CB 4.42Å
296	S	98.8	Very high	98.4	Very high	22 Å²	22	27.9 Å²	27.9	15%	0.154	16%	0.156	C	C	.	.	H	α-helix	trans	-61.1	-46.6	179.9	-62.1	0	0	0	0	110.9	W292 S293 L298 V299 V300 I457	W292-S296 VanDerWaalsContact O-CB 3.28Å; W292-S296 WeakPolarHBondContact O-CB 3.46Å; W292-S296 PolarHBondContact O-N 2.79Å; W292-S296 PolarHBondContact O-OG 3.5Å; S293-S296 PolarHBondContact O-N 3.17Å; S296-L298 PolarHBondContact O-N 3.06Å; S296-V299 PolarHBondContact O-N 3.24Å; S296-V300 WeakPolarHBondContact O-CG2 3.34Å; S296-V300 PolarHBondContact O-N 3.42Å; S296-I457 WeakPolarHBondContact OG-CG2 3.37Å
297	E	98.6	Very high	98.4	Very high	44 Å²	44	25.4 Å²	25.4	21%	0.206	14%	0.144	C	C	.	.	H	α-helix	trans	-59.1	-44.4	174.7	-84.6	-156.8	-140.5	0	0	112.7	S293 I295 V299 K301 K468 Y469	S293-E297 PolarHBondContact O-N 2.87Å; I295-E297 PolarHBondContact O-N 3.44Å; E297-V299 VanDerWaalsContact C-N 3.34Å; E297-V299 PolarHBondContact O-N 3.47Å; E297-K301 VanDerWaalsContact O-CB 3.27Å; E297-K301 WeakPolarHBondContact O-CB 3.49Å; E297-K301 WeakPolarHBondContact O-CE 3.33Å; E297-K301 WeakPolarHBondContact O-CG 3.29Å; E297-K301 PolarHBondContact O-N 2.92Å; E297-K301 WeakPolarHBondContact OE2-CE 3.33Å; E297-K301 IonicContact OE2-NZ 3.32Å; E297-K301 PolarHBondContact OE2-NZ 3.37Å; E297-K468 IonicContact OE2-NZ 3.88Å; E297-Y469 WeakPolarHBondContact CA-OH 3.43Å; E297-Y469 WeakPolarHBondContact CG-OH 3.04Å
298	L	98.8	Very high	98.2	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.01	12%	0.12	C	C	.	.	H	α-helix	trans	-57.6	-48.2	176.4	178.1	161.2	0	0	0	110.7	F127 D294 I295 S296 T302 F335 I337 P345 L347	F127-L298 HydrophobicContact CB-CD1 3.96Å; F127-L298 HydrophobicContact CB-CG 4.27Å; F127-L298 HydrophobicContact CD2-CB 4.43Å; F127-L298 HydrophobicContact CD2-CD1 3.95Å; F127-L298 HydrophobicContact CD2-CD2 4.43Å; F127-L298 HydrophobicContact CD2-CG 3.56Å; F127-L298 HydrophobicContact CE2-CG 3.99Å; F127-L298 HydrophobicContact CG-CB 4.4Å; F127-L298 HydrophobicContact CG-CD1 4.14Å; F127-L298 HydrophobicContact CG-CG 3.91Å; D294-L298 WeakPolarHBondContact O-CB 3.5Å; D294-L298 PolarHBondContact O-N 3.08Å; I295-L298 WeakPolarHBondContact O-CB 3.32Å; I295-L298 PolarHBondContact O-N 3Å; S296-L298 PolarHBondContact O-N 3.06Å; L298-T302 VanDerWaalsContact O-CB 3.28Å; L298-T302 WeakPolarHBondContact O-CB 3.35Å; L298-T302 PolarHBondContact O-N 3.44Å; L298-T302 PolarHBondContact O-OG1 2.98Å; L298-F335 HydrophobicContact CD2-CD1 4.29Å; L298-I337 HydrophobicContact CD1-CD1 4.32Å; L298-I337 HydrophobicContact CD2-CD1 3.95Å; L298-I337 HydrophobicContact CD2-CG1 4.47Å; L298-P345 HydrophobicContact CD1-CB 3.85Å; L298-P345 HydrophobicContact CD1-CG 4.13Å; L298-L347 HydrophobicContact CD1-CB 4.34Å; L298-L347 HydrophobicContact CD2-CB 4.22Å; L298-L347 HydrophobicContact CD2-CD1 4.24Å
299	V	98.9	Very high	98	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-64.7	-49.6	-178.4	171.1	0	0	0	0	111.3	I208 I218 I295 S296 E297 T302 L303 F335 I457	I208-V299 HydrophobicContact CB-CG1 4.4Å; I208-V299 HydrophobicContact CD1-CB 4.37Å; I208-V299 HydrophobicContact CD1-CG1 3.8Å; I208-V299 HydrophobicContact CD1-CG2 3.77Å; I208-V299 HydrophobicContact CG1-CG1 3.77Å; I208-V299 HydrophobicContact CG1-CG2 4.06Å; I208-V299 HydrophobicContact CG2-CG1 3.76Å; I218-V299 HydrophobicContact CG2-CG1 4.12Å; I295-V299 HydrophobicContact CG2-CG2 4.45Å; I295-V299 WeakPolarHBondContact O-CG2 3.45Å; I295-V299 PolarHBondContact O-N 3.38Å; S296-V299 PolarHBondContact O-N 3.24Å; E297-V299 VanDerWaalsContact C-N 3.34Å; E297-V299 PolarHBondContact O-N 3.47Å; V299-T302 WeakPolarHBondContact O-CB 3.34Å; V299-T302 PolarHBondContact O-N 2.94Å; V299-L303 HydrophobicContact CG1-CD1 4.05Å; V299-L303 PolarHBondContact O-N 3.08Å; V299-F335 HydrophobicContact CB-CE1 4.5Å; V299-F335 HydrophobicContact CG1-CE1 4.44Å; V299-F335 HydrophobicContact CG1-CZ 4.24Å; V299-F335 HydrophobicContact CG2-CD1 4.05Å; V299-F335 HydrophobicContact CG2-CE1 4.14Å; V299-F335 HydrophobicContact CG2-CG 4.48Å; V299-I457 HydrophobicContact CB-CD1 3.82Å; V299-I457 HydrophobicContact CG1-CD1 3.55Å
300	V	98.9	Very high	97.9	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60.8	-50.1	-179.9	176.3	0	0	0	0	110.4	S296 T302 L303 I304 I457 Y458 Y469	S296-V300 WeakPolarHBondContact O-CG2 3.34Å; S296-V300 PolarHBondContact O-N 3.42Å; V300-T302 PolarHBondContact O-N 3.35Å; V300-L303 PolarHBondContact O-N 3.46Å; V300-L303 VanDerWaalsContact O-N 3.13Å; V300-I304 HydrophobicContact CG1-CD1 3.88Å; V300-I304 HydrophobicContact CG1-CG1 4.26Å; V300-I304 VanDerWaalsContact O-CG1 3.31Å; V300-I304 WeakPolarHBondContact O-CG1 3.47Å; V300-I304 PolarHBondContact O-N 2.97Å; V300-I457 HydrophobicContact CG2-CB 4.08Å; V300-I457 HydrophobicContact CG2-CD1 3.87Å; V300-I457 HydrophobicContact CG2-CG1 3.95Å; V300-I457 WeakPolarHBondContact CG2-O 3.44Å; V300-Y458 HydrophobicContact CG1-CD2 3.69Å; V300-Y458 HydrophobicContact CG1-CG 4.24Å; V300-Y469 HydrophobicContact CB-CE1 4.04Å; V300-Y469 HydrophobicContact CB-CE2 4.12Å; V300-Y469 HydrophobicContact CG1-CD1 3.78Å; V300-Y469 HydrophobicContact CG1-CD2 3.76Å; V300-Y469 HydrophobicContact CG1-CE1 3.69Å; V300-Y469 HydrophobicContact CG1-CE2 3.64Å; V300-Y469 HydrophobicContact CG1-CG 3.82Å; V300-Y469 HydrophobicContact CG2-CE2 4.21Å
301	K	98.8	Very high	97.7	Very high	16 Å²	16	13.2 Å²	13.2	7%	0.07	7%	0.072	C	C	.	.	H	α-helix	trans	-59.8	-34.4	179.4	-76.3	-179.1	-90.4	-172.5	0	112.4	D124 Y125 F127 E297 V305 Y469 L472	D124-K301 HydrophobicContact CB-CD 4.32Å; D124-K301 WeakPolarHBondContact O-CD 3.45Å; D124-K301 PolarHBondContact O-NZ 3.02Å; Y125-K301 HydrophobicContact CE1-CB 3.92Å; Y125-K301 VanDerWaalsContact CE1-O 3.31Å; Y125-K301 WeakPolarHBondContact CE1-O 3.35Å; Y125-K301 PolarHBondContact OH-O 3.35Å; F127-K301 HydrophobicContact CE1-CB 3.83Å; F127-K301 HydrophobicContact CE1-CD 4.17Å; F127-K301 HydrophobicContact CZ-CB 3.85Å; E297-K301 VanDerWaalsContact O-CB 3.27Å; E297-K301 WeakPolarHBondContact O-CB 3.49Å; E297-K301 WeakPolarHBondContact O-CE 3.33Å; E297-K301 WeakPolarHBondContact O-CG 3.29Å; E297-K301 PolarHBondContact O-N 2.92Å; E297-K301 WeakPolarHBondContact OE2-CE 3.33Å; E297-K301 IonicContact OE2-NZ 3.32Å; E297-K301 PolarHBondContact OE2-NZ 3.37Å; K301-V305 WeakPolarHBondContact O-CG2 3.49Å; K301-V305 PolarHBondContact O-N 3.41Å; K301-Y469 HydrophobicContact CG-CE1 4.14Å; K301-L472 HydrophobicContact CD-CD1 3.91Å; K301-L472 HydrophobicContact CG-CD1 3.74Å
302	T	98.8	Very high	97.4	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-67.4	-46.1	175.1	-60.7	0	0	0	0	112.2	I104 M114 F127 L298 V299 V300 I304 V305 A306 F335 L347 I350	I104-T302 HydrophobicContact CD1-CG2 4.45Å; M114-T302 HydrophobicContact CE-CG2 3.69Å; F127-T302 WeakPolarHBondContact CE2-OG1 3.18Å; L298-T302 VanDerWaalsContact O-CB 3.28Å; L298-T302 WeakPolarHBondContact O-CB 3.35Å; L298-T302 PolarHBondContact O-N 3.44Å; L298-T302 PolarHBondContact O-OG1 2.98Å; V299-T302 WeakPolarHBondContact O-CB 3.34Å; V299-T302 PolarHBondContact O-N 2.94Å; V300-T302 PolarHBondContact O-N 3.35Å; T302-I304 VanDerWaalsContact C-N 3.32Å; T302-I304 PolarHBondContact O-N 2.92Å; T302-V305 WeakPolarHBondContact O-CB 3.28Å; T302-V305 PolarHBondContact O-N 3.19Å; T302-V305 VanDerWaalsContact O-N 3.14Å; T302-A306 PolarHBondContact O-N 3.41Å; T302-F335 HydrophobicContact CG2-CE1 3.82Å; T302-F335 HydrophobicContact CG2-CZ 4.18Å; T302-L347 HydrophobicContact CG2-CD2 3.83Å; T302-I350 HydrophobicContact CG2-CD1 3.32Å
303	L	98.8	Very high	97.2	Very high	5 Å²	5	16.1 Å²	16.1	3%	0.026	9%	0.088	C	C	.	.	H	α-helix	trans	-70	-28.5	178	-78.5	165.8	0	0	0	112.7	M101 I104 I208 V210 I218 V299 V300 V305 A306 E307 L333	M101-L303 HydrophobicContact SD-CD2 4.26Å; I104-L303 HydrophobicContact CD1-CD2 3.82Å; I208-L303 HydrophobicContact CG2-CD1 4.05Å; V210-L303 HydrophobicContact CG2-CD1 3.74Å; V210-L303 HydrophobicContact CG2-CD2 4.02Å; I218-L303 HydrophobicContact CB-CD1 4.31Å; I218-L303 HydrophobicContact CD1-CB 3.62Å; I218-L303 HydrophobicContact CD1-CD1 3.52Å; I218-L303 HydrophobicContact CD1-CG 4.2Å; I218-L303 HydrophobicContact CG1-CD1 3.8Å; I218-L303 HydrophobicContact CG2-CD1 3.52Å; V299-L303 HydrophobicContact CG1-CD1 4.05Å; V299-L303 PolarHBondContact O-N 3.08Å; V300-L303 PolarHBondContact O-N 3.46Å; V300-L303 VanDerWaalsContact O-N 3.13Å; L303-V305 PolarHBondContact O-N 3.42Å; L303-A306 CarbonylContact O-C 3.54Å; L303-A306 PolarHBondContact O-N 3.36Å; L303-E307 WeakPolarHBondContact O-CB 3.2Å; L303-E307 PolarHBondContact O-N 3.03Å; L303-L333 HydrophobicContact CD2-CD1 3.97Å
304	I	98.4	Very high	97	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-58.3	-36	169.1	-74	175.2	0	0	0	111.7	V300 T302 A306 P308 Y469 L472 L473 A476	V300-I304 HydrophobicContact CG1-CD1 3.88Å; V300-I304 HydrophobicContact CG1-CG1 4.26Å; V300-I304 VanDerWaalsContact O-CG1 3.31Å; V300-I304 WeakPolarHBondContact O-CG1 3.47Å; V300-I304 PolarHBondContact O-N 2.97Å; T302-I304 VanDerWaalsContact C-N 3.32Å; T302-I304 PolarHBondContact O-N 2.92Å; I304-A306 VanDerWaalsContact C-N 3.32Å; I304-P308 WeakPolarHBondContact O-CD 3.23Å; I304-Y469 HydrophobicContact CD1-CD1 3.9Å; I304-Y469 HydrophobicContact CD1-CG 4.12Å; I304-L472 HydrophobicContact CD1-CB 4.14Å; I304-L472 HydrophobicContact CG2-CB 4.08Å; I304-L473 HydrophobicContact CB-CD2 4.21Å; I304-L473 HydrophobicContact CB-CG 4.46Å; I304-L473 HydrophobicContact CD1-CG 4.17Å; I304-L473 HydrophobicContact CG1-CD2 3.89Å; I304-L473 HydrophobicContact CG1-CG 3.86Å; I304-L473 HydrophobicContact CG2-CD2 3.97Å; I304-L473 HydrophobicContact CG2-CG 4.05Å; I304-A476 HydrophobicContact CG2-CB 3.9Å; I304-A476 WeakPolarHBondContact O-CB 3.39Å
305	V	97.9	Very high	96.6	Very high	5 Å²	5	15 Å²	15	3%	0.03	7%	0.072	C	C	.	.	H	α-helix	trans	-66.3	-37	175.1	-174.1	0	0	0	0	111.3	N113 M114 M117 Y125 K301 T302 L303 H309	N113-V305 HydrophobicContact CB-CG1 3.64Å; M114-V305 HydrophobicContact CE-CG2 4.21Å; M114-V305 HydrophobicContact SD-CG2 3.94Å; M117-V305 HydrophobicContact CB-CG2 4.38Å; M117-V305 HydrophobicContact CG-CB 4.43Å; M117-V305 HydrophobicContact CG-CG1 4.01Å; M117-V305 HydrophobicContact CG-CG2 3.81Å; Y125-V305 HydrophobicContact CD1-CG2 4.44Å; Y125-V305 HydrophobicContact CE1-CG2 3.5Å; K301-V305 WeakPolarHBondContact O-CG2 3.49Å; K301-V305 PolarHBondContact O-N 3.41Å; T302-V305 WeakPolarHBondContact O-CB 3.28Å; T302-V305 PolarHBondContact O-N 3.19Å; T302-V305 VanDerWaalsContact O-N 3.14Å; L303-V305 PolarHBondContact O-N 3.42Å; V305-H309 PolarHBondContact O-CD2 2.89Å
306	A	97.4	Very high	96.2	Very high	2 Å²	2	20.6 Å²	20.6	2%	0.017	10%	0.1	C	C	.	.	H	α-helix	trans	-77.8	-30.5	179.2	0	0	0	0	0	113.4	M101 I104 T302 L303 I304 H309 V310	M101-A306 HydrophobicContact SD-CB 4.49Å; I104-A306 HydrophobicContact CB-CB 4.33Å; I104-A306 HydrophobicContact CD1-CB 3.63Å; I104-A306 HydrophobicContact CG1-CB 3.76Å; I104-A306 HydrophobicContact CG2-CB 3.66Å; T302-A306 PolarHBondContact O-N 3.41Å; L303-A306 CarbonylContact O-C 3.54Å; L303-A306 PolarHBondContact O-N 3.36Å; I304-A306 VanDerWaalsContact C-N 3.32Å; A306-H309 WeakPolarHBondContact O-CA 3.38Å; A306-H309 WeakPolarHBondContact O-CB 3.42Å; A306-H309 PolarHBondContact O-N 3.35Å; A306-V310 HydrophobicContact CB-CG2 4.24Å; A306-V310 WeakPolarHBondContact O-CG2 3.48Å; A306-V310 PolarHBondContact O-N 2.93Å
307	E	96.5	Very high	95.9	Very high	13 Å²	13	19.7 Å²	19.7	6%	0.061	9%	0.093	C	C	.	.	H	α-helix	trans	-48.4	-52	-170.7	179.4	53.2	-151.2	0	0	114.3	L216 L303 H309 V310 L311 L473 F477	L216-E307 WeakPolarHBondContact CD1-OE2 3.31Å; L216-E307 HydrophobicContact CD2-CB 4.43Å; L216-E307 HydrophobicContact CD2-CG 4.26Å; L303-E307 WeakPolarHBondContact O-CB 3.2Å; L303-E307 PolarHBondContact O-N 3.03Å; E307-H309 VanDerWaalsContact C-N 3.25Å; E307-H309 PolarHBondContact O-N 3.33Å; E307-V310 PolarHBondContact O-N 2.9Å; E307-L311 VanDerWaalsContact O-CB 3.22Å; E307-L311 WeakPolarHBondContact O-CB 3.25Å; E307-L311 PolarHBondContact O-N 3Å; E307-L473 HydrophobicContact CB-CD2 3.85Å; E307-L473 HydrophobicContact CG-CD2 3.63Å; E307-F477 HydrophobicContact CG-CE2 3.98Å; E307-F477 HydrophobicContact CG-CZ 4.17Å
308	P	93.8	Very high	95.5	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.013	9%	0.086	C	C	.	.	H	α-helix	trans	-61.8	-33.7	180	23.7	-34.5	0	0	0	113.2	I304 H312 A476 F477 F480	I304-P308 WeakPolarHBondContact O-CD 3.23Å; P308-H312 WeakPolarHBondContact O-CB 3.31Å; P308-H312 PolarHBondContact O-N 2.81Å; P308-A476 HydrophobicContact CG-CB 4.31Å; P308-F477 HydrophobicContact CB-CD1 3.72Å; P308-F477 HydrophobicContact CB-CD2 4.28Å; P308-F477 HydrophobicContact CB-CE1 3.72Å; P308-F477 HydrophobicContact CB-CE2 4.27Å; P308-F477 HydrophobicContact CB-CG 4.01Å; P308-F477 HydrophobicContact CB-CZ 3.99Å; P308-F480 HydrophobicContact CB-CB 3.7Å; P308-F480 HydrophobicContact CB-CD1 4.01Å; P308-F480 HydrophobicContact CB-CD2 4.16Å; P308-F480 HydrophobicContact CB-CG 3.71Å; P308-F480 HydrophobicContact CG-CB 3.91Å; P308-F480 HydrophobicContact CG-CG 4.28Å
309	H	94.8	Very high	94.6	Very high	34 Å²	34	23.3 Å²	23.3	16%	0.157	12%	0.119	C	C	.	.	H	α-helix	trans	-72.3	-45.4	177.9	-61.9	-99.1	0	0	0	111.6	E103 V305 A306 E307 A313 F480	E103-H309 HydrophobicContact CB-CB 4.14Å; E103-H309 HydrophobicContact CG-CB 3.8Å; E103-H309 IonicContact OE2-CE1 3.73Å; E103-H309 IonicContact OE2-ND1 2.82Å; V305-H309 PolarHBondContact O-CD2 2.89Å; A306-H309 WeakPolarHBondContact O-CA 3.38Å; A306-H309 WeakPolarHBondContact O-CB 3.42Å; A306-H309 PolarHBondContact O-N 3.35Å; E307-H309 VanDerWaalsContact C-N 3.25Å; E307-H309 PolarHBondContact O-N 3.33Å; H309-A313 WeakPolarHBondContact O-CB 3.48Å; H309-A313 PolarHBondContact O-N 2.85Å; H309-F480 AromaticContact CD2-CD2 3.96Å; H309-F480 AromaticContact CE1-CD2 3.62Å; H309-F480 AromaticContact CE1-CE2 3.92Å; H309-F480 AromaticContact CG-CD2 3.96Å; H309-F480 AromaticContact CG-CE2 3.94Å; H309-F480 AromaticContact ND1-CD2 3.74Å; H309-F480 AromaticContact ND1-CE2 3.61Å; H309-F480 AromaticContact NE2-CD2 3.73Å
310	V	96.3	Very high	93.2	Very high	3 Å²	3	26.9 Å²	26.9	2%	0.018	16%	0.155	C	C	.	.	H	α-helix	trans	-66.5	-47.7	179.7	173	0	0	0	0	110.6	F98 M101 C213 A306 E307 H312 A313 Y314	F98-V310 HydrophobicContact CB-CG1 3.85Å; F98-V310 HydrophobicContact CD1-CG1 3.74Å; F98-V310 HydrophobicContact CG-CG1 3.95Å; M101-V310 HydrophobicContact CE-CG1 4.43Å; M101-V310 HydrophobicContact CE-CG2 3.82Å; M101-V310 HydrophobicContact SD-CG2 4.14Å; C213-V310 HydrophobicContact CB-CG1 3.88Å; A306-V310 HydrophobicContact CB-CG2 4.24Å; A306-V310 WeakPolarHBondContact O-CG2 3.48Å; A306-V310 PolarHBondContact O-N 2.93Å; E307-V310 PolarHBondContact O-N 2.9Å; V310-H312 PolarHBondContact O-N 3.08Å; V310-A313 PolarHBondContact O-N 2.96Å; V310-Y314 WeakPolarHBondContact O-CB 3.21Å; V310-Y314 PolarHBondContact O-N 2.76Å
311	L	93.6	Very high	91.9	Very high	11 Å²	11	28.8 Å²	28.8	6%	0.058	16%	0.164	C	C	.	.	H	α-helix	trans	-61.6	-44.1	-180	-176.9	60.6	0	0	0	111.7	D214 E307 R315 F477 F488	D214-L311 HydrophobicContact CB-CD1 3.65Å; E307-L311 VanDerWaalsContact O-CB 3.22Å; E307-L311 WeakPolarHBondContact O-CB 3.25Å; E307-L311 PolarHBondContact O-N 3Å; L311-R315 HydrophobicContact CD1-CG 4.27Å; L311-R315 WeakPolarHBondContact O-CB 3.31Å; L311-R315 WeakPolarHBondContact O-CG 3.39Å; L311-R315 PolarHBondContact O-N 3.41Å; L311-F477 HydrophobicContact CD2-CE1 4.06Å; L311-F477 HydrophobicContact CD2-CZ 3.68Å; L311-F488 HydrophobicContact CD2-CD1 4.49Å; L311-F488 HydrophobicContact CD2-CE1 3.75Å; L311-F488 HydrophobicContact CG-CE1 4.26Å
312	H	91.6	Very high	90.5	Very high	74 Å²	74	30.9 Å²	30.9	34%	0.343	18%	0.18	S	C	.	.	H	α-helix	trans	-60.4	-53.9	175.8	178.8	68	0	0	0	110.9	P308 V310 Y314 R315 M316 F480	P308-H312 WeakPolarHBondContact O-CB 3.31Å; P308-H312 PolarHBondContact O-N 2.81Å; V310-H312 PolarHBondContact O-N 3.08Å; H312-Y314 VanDerWaalsContact C-N 3.32Å; H312-Y314 PolarHBondContact O-N 3.27Å; H312-R315 PolarHBondContact O-N 2.87Å; H312-M316 VanDerWaalsContact O-CG 3.31Å; H312-M316 WeakPolarHBondContact O-CG 3.33Å; H312-M316 PolarHBondContact O-N 3.11Å; H312-F480 HydrophobicContact CB-CE1 4.4Å; H312-F480 HydrophobicContact CB-CZ 4.04Å
313	A	94	Very high	89.1	Confident	9 Å²	9	35.8 Å²	35.8	7%	0.074	21%	0.211	C	C	.	.	H	α-helix	trans	-60.7	-40.9	-179.3	0	0	0	0	0	112.2	P99 H309 V310 M316 C317	P99-A313 HydrophobicContact CB-CB 3.95Å; P99-A313 HydrophobicContact CG-CB 4.17Å; H309-A313 WeakPolarHBondContact O-CB 3.48Å; H309-A313 PolarHBondContact O-N 2.85Å; V310-A313 PolarHBondContact O-N 2.96Å; A313-M316 PolarHBondContact O-N 2.91Å; A313-C317 PolarHBondContact O-N 3.35Å; A313-C317 PolarHBondContact O-SG 3.1Å
314	Y	94.5	Very high	87.6	Confident	16 Å²	16	38 Å²	38	6%	0.063	24%	0.235	C	C	.	.	H	α-helix	trans	-62.9	-46.7	178	179.9	-98.6	0	0	0	111.9	F98 P99 V310 H312 M316 C317 R318 V328 C329	F98-Y314 HydrophobicContact CD1-CD2 4.45Å; P99-Y314 HydrophobicContact CG-CD2 4.49Å; V310-Y314 WeakPolarHBondContact O-CB 3.21Å; V310-Y314 PolarHBondContact O-N 2.76Å; H312-Y314 VanDerWaalsContact C-N 3.32Å; H312-Y314 PolarHBondContact O-N 3.27Å; Y314-M316 VanDerWaalsContact C-N 3.29Å; Y314-M316 PolarHBondContact O-N 2.99Å; Y314-C317 PolarHBondContact O-N 3.4Å; Y314-R318 HydrophobicContact CD2-CG 4.16Å; Y314-R318 HydrophobicContact CE1-CB 4.48Å; Y314-R318 HydrophobicContact CE1-CG 4.38Å; Y314-R318 HydrophobicContact CE2-CG 3.83Å; Y314-R318 WeakPolarHBondContact O-CB 3.45Å; Y314-R318 WeakPolarHBondContact O-CG 3.37Å; Y314-R318 PolarHBondContact O-N 3.48Å; Y314-V328 HydrophobicContact CE2-CB 4.45Å; Y314-V328 PolarHBondContact OH-N 3.35Å; Y314-C329 HydrophobicContact CD2-CB 4.44Å; Y314-C329 HydrophobicContact CE2-CB 4.21Å
315	R	90.8	Very high	86.6	Confident	58 Å²	58	39.4 Å²	39.4	22%	0.219	25%	0.245	C	C	.	.	H	α-helix	trans	-66.3	-30.5	177.6	-73.3	174.8	170.7	-161.1	-2.6	112.4	D214 L311 H312 R318 E491	D214-R315 IonicContact OD1-NH2 2.68Å; D214-R315 IonicContact OD2-CZ 3.01Å; D214-R315 IonicContact OD2-NE 2.71Å; D214-R315 PolarHBondContact OD2-NE 3.3Å; D214-R315 IonicContact OD2-NH2 2.73Å; D214-R315 PolarHBondContact OD2-NH2 2.95Å; L311-R315 HydrophobicContact CD1-CG 4.27Å; L311-R315 WeakPolarHBondContact O-CB 3.31Å; L311-R315 WeakPolarHBondContact O-CG 3.39Å; L311-R315 PolarHBondContact O-N 3.41Å; H312-R315 PolarHBondContact O-N 2.87Å; R315-R318 CarbonylContact O-C 3.34Å; R315-E491 IonicContact CZ-OE1 2.61Å; R315-E491 IonicContact CZ-OE2 2.73Å; R315-E491 IonicContact NH1-OE1 3.53Å; R315-E491 IonicContact NH1-OE2 3.94Å; R315-E491 PolarHBondContact NH1-OE2 3.3Å; R315-E491 IonicContact NH2-OE1 3.94Å; R315-E491 PolarHBondContact NH2-OE1 3.2Å; R315-E491 IonicContact NH2-OE2 2.73Å; R315-E491 PolarHBondContact NH2-OE2 2.94Å
316	M	90.4	Very high	86.1	Confident	117 Å²	117	40.9 Å²	40.9	58%	0.576	25%	0.252	S	S	*	.	H	α-helix	trans	-70.9	-38.7	172.4	-66	-55.9	100.4	0	0	112.4	H312 A313 Y314 R318	H312-M316 VanDerWaalsContact O-CG 3.31Å; H312-M316 WeakPolarHBondContact O-CG 3.33Å; H312-M316 PolarHBondContact O-N 3.11Å; A313-M316 PolarHBondContact O-N 2.91Å; Y314-M316 VanDerWaalsContact C-N 3.29Å; Y314-M316 PolarHBondContact O-N 2.99Å; M316-R318 VanDerWaalsContact C-N 3.34Å
317	C	92.7	Very high	85.9	Confident	3 Å²	3	41.2 Å²	41.2	2%	0.02	25%	0.254	C	S	.	.	H	α-helix	trans	-72.6	-28.4	175.5	-62.2	0	0	0	0	112.3	I86 S87 A313 Y314 P319	I86-C317 HydrophobicContact CB-CB 4.47Å; I86-C317 HydrophobicContact CG2-CB 4.07Å; S87-C317 WeakPolarHBondContact CA-O 3.48Å; S87-C317 WeakPolarHBondContact CB-O 3.45Å; S87-C317 WeakPolarHBondContact OG-CA 3.43Å; S87-C317 WeakPolarHBondContact OG-CB 3.4Å; S87-C317 PolarHBondContact OG-O 2.98Å; A313-C317 PolarHBondContact O-N 3.35Å; A313-C317 PolarHBondContact O-SG 3.1Å; Y314-C317 PolarHBondContact O-N 3.4Å; C317-P319 VanDerWaalsContact O-CD 3.25Å; C317-P319 WeakPolarHBondContact O-CD 3.49Å
318	R	89.5	Confident	85.8	Confident	15 Å²	15	40.6 Å²	40.6	6%	0.057	25%	0.251	C	S	.	.	S	Bend	trans	-119.8	55.7	-172.5	-54.1	-60.5	-62.6	165.2	2.1	112	I86 S87 L89 N91 Y314 R315 M316 G320 Q321	I86-R318 WeakPolarHBondContact O-CD 3.42Å; I86-R318 PolarHBondContact O-NH1 2.84Å; S87-R318 PolarHBondContact O-NH1 3.21Å; S87-R318 VanDerWaalsContact O-NH1 3.08Å; L89-R318 PolarHBondContact O-NH1 3.02Å; L89-R318 PolarHBondContact O-NH2 2.62Å; N91-R318 PolarHBondContact OD1-NH2 3.1Å; N91-R318 VanDerWaalsContact OD1-NH2 3.12Å; Y314-R318 HydrophobicContact CD2-CG 4.16Å; Y314-R318 HydrophobicContact CE1-CB 4.48Å; Y314-R318 HydrophobicContact CE1-CG 4.38Å; Y314-R318 HydrophobicContact CE2-CG 3.83Å; Y314-R318 WeakPolarHBondContact O-CB 3.45Å; Y314-R318 WeakPolarHBondContact O-CG 3.37Å; Y314-R318 PolarHBondContact O-N 3.48Å; R315-R318 CarbonylContact O-C 3.34Å; M316-R318 VanDerWaalsContact C-N 3.34Å; R318-G320 PolarHBondContact O-N 2.81Å; R318-Q321 HydrophobicContact CB-CG 3.81Å; R318-Q321 VanDerWaalsContact NH2-NE2 3.15Å; R318-Q321 PolarHBondContact O-N 3.47Å
319	P	81.3	Confident	86	Confident	106 Å²	106	40.5 Å²	40.5	69%	0.688	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	136.9	178.7	29.9	-34	0	0	0	109.6	C317	C317-P319 VanDerWaalsContact O-CD 3.25Å; C317-P319 WeakPolarHBondContact O-CD 3.49Å
320	G	68.6	Low	86.2	Confident	75 Å²	75	39 Å²	39	77%	0.773	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.6	13	177.8	0	0	0	0	0	115.8	R318 P322	R318-G320 PolarHBondContact O-N 2.81Å; G320-P322 VanDerWaalsContact O-CD 3.31Å; G320-P322 WeakPolarHBondContact O-CD 3.39Å
321	Q	72.3	Confident	86.3	Confident	40 Å²	40	38.8 Å²	38.8	19%	0.187	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-63.1	125.3	162.4	-70.1	-61.8	-40	0	0	109.5	N91 R318	N91-Q321 PolarHBondContact ND2-NE2 2.83Å; N91-Q321 PolarHBondContact ND2-OE1 2.88Å; N91-Q321 PolarHBondContact OD1-NE2 3.07Å; R318-Q321 HydrophobicContact CB-CG 3.81Å; R318-Q321 VanDerWaalsContact NH2-NE2 3.15Å; R318-Q321 PolarHBondContact O-N 3.47Å
322	P	69.4	Low	86.5	Confident	60 Å²	60	38.7 Å²	38.7	39%	0.39	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-57.6	145.7	171.8	-24.4	32.3	0	0	0	111.2	G320 G324 S325	G320-P322 VanDerWaalsContact O-CD 3.31Å; G320-P322 WeakPolarHBondContact O-CD 3.39Å; P322-G324 PolarHBondContact O-N 3.38Å; P322-S325 VanDerWaalsContact CD-OG 3.28Å; P322-S325 WeakPolarHBondContact CD-OG 3.32Å; P322-S325 WeakPolarHBondContact O-CB 3.46Å; P322-S325 PolarHBondContact O-N 3Å; P322-S325 PolarHBondContact O-OG 3.18Å
323	P	67.9	Low	86.9	Confident	103 Å²	103	35.1 Å²	35.1	67%	0.669	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.8	135.5	170	-26.2	34.6	0	0	0	111.5	S325	P323-S325 VanDerWaalsContact C-N 3.28Å; P323-S325 PolarHBondContact O-N 3.22Å
324	G	68.3	Low	87.1	Confident	51 Å²	51	34.7 Å²	34.7	53%	0.526	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	13.8	-178.1	0	0	0	0	0	115.3	P322 K439	P322-G324 PolarHBondContact O-N 3.38Å; G324-K439 PolarHBondContact O-NZ 2.73Å
325	S	77.9	Confident	87.3	Confident	31 Å²	31	34 Å²	34	22%	0.217	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-63.7	150.2	166.7	-65.8	0	0	0	0	111	P322 P323	P322-S325 VanDerWaalsContact CD-OG 3.28Å; P322-S325 WeakPolarHBondContact CD-OG 3.32Å; P322-S325 WeakPolarHBondContact O-CB 3.46Å; P322-S325 PolarHBondContact O-N 3Å; P322-S325 PolarHBondContact O-OG 3.18Å; P323-S325 VanDerWaalsContact C-N 3.28Å; P323-S325 PolarHBondContact O-N 3.22Å
326	E	85.7	Confident	87.6	Confident	36 Å²	36	31.4 Å²	31.4	17%	0.168	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-72.4	147.2	176.3	-74.4	168.9	-153.3	0	0	109.7	R94 V328 R381 K439	R94-E326 IonicContact NH2-OE2 2.84Å; R94-E326 PolarHBondContact NH2-OE2 2.86Å; E326-V328 PolarHBondContact O-N 3.06Å; E326-R381 IonicContact OE1-NH2 2.7Å; E326-R381 PolarHBondContact OE1-NH2 2.98Å; E326-K439 VanDerWaalsContact OE1-CE 3.26Å; E326-K439 WeakPolarHBondContact OE1-CE 3.34Å; E326-K439 IonicContact OE1-NZ 3.18Å
327	S	93.3	Very high	88	Confident	8 Å²	8	25.8 Å²	25.8	6%	0.056	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-60.1	133.5	175.2	-170.6	0	0	0	0	110.3	R94 T211 C329	R94-S327 VanDerWaalsContact CD-O 3.26Å; R94-S327 WeakPolarHBondContact CD-O 3.36Å; R94-S327 PolarHBondContact NE-O 3.13Å; R94-S327 VanDerWaalsContact NE-O 3.14Å; T211-S327 VanDerWaalsContact O-CB 3.3Å; T211-S327 WeakPolarHBondContact O-CB 3.27Å; S327-C329 VanDerWaalsContact C-N 3.34Å; S327-C329 WeakPolarHBondContact CB-O 3.46Å; S327-C329 PolarHBondContact OG-N 3.4Å; S327-C329 PolarHBondContact OG-O 3.04Å
328	V	95.5	Very high	88.3	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	-80.1	-25	169.6	173.9	0	0	0	0	110.3	L89 R94 I95 Y314 E326	L89-V328 HydrophobicContact CB-CG1 3.87Å; L89-V328 HydrophobicContact CD1-CG1 3.42Å; L89-V328 VanDerWaalsContact CD1-CG1 3.42Å; L89-V328 HydrophobicContact CG-CG1 4.29Å; R94-V328 CarbonylContact C-O 3.53Å; R94-V328 VanDerWaalsContact CA-O 3.25Å; R94-V328 WeakPolarHBondContact CA-O 3.2Å; I95-V328 PolarHBondContact N-O 3.31Å; Y314-V328 HydrophobicContact CE2-CB 4.45Å; Y314-V328 PolarHBondContact OH-N 3.35Å; E326-V328 PolarHBondContact O-N 3.06Å
329	C	97.9	Very high	88.7	Confident	1 Å²	1	25.2 Å²	25.2	1%	0.007	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-103.4	144.7	-179	-59.1	0	0	0	0	110.8	I95 H97 F98 Y314 S327	I95-C329 WeakPolarHBondContact O-CA 3.44Å; H97-C329 WeakPolarHBondContact O-CB 3.37Å; H97-C329 PolarHBondContact O-SG 3.4Å; H97-C329 VanDerWaalsContact O-SG 3.33Å; F98-C329 HydrophobicContact CD1-CB 3.47Å; F98-C329 VanDerWaalsContact CD1-CB 3.47Å; F98-C329 HydrophobicContact CD2-CB 4.24Å; F98-C329 HydrophobicContact CE1-CB 3.51Å; F98-C329 HydrophobicContact CE2-CB 4.26Å; F98-C329 HydrophobicContact CG-CB 3.85Å; F98-C329 HydrophobicContact CZ-CB 3.9Å; F98-C329 WeakPolarHBondContact CZ-O 3.45Å; Y314-C329 HydrophobicContact CD2-CB 4.44Å; Y314-C329 HydrophobicContact CE2-CB 4.21Å; S327-C329 VanDerWaalsContact C-N 3.34Å; S327-C329 WeakPolarHBondContact CB-O 3.46Å; S327-C329 PolarHBondContact OG-N 3.4Å; S327-C329 PolarHBondContact OG-O 3.04Å
330	F	98.5	Very high	89.5	Confident	1 Å²	1	21.2 Å²	21.2	0%	0.004	15%	0.153	C	C	.	.			trans	-136.7	164.4	160.8	69.7	-82.3	0	0	0	107.3	L74 W76 R94 I95 N96 H97 L209 V210 L378	L74-F330 HydrophobicContact CD1-CE1 3.7Å; L74-F330 HydrophobicContact CD1-CZ 3.78Å; W76-F330 HydrophobicContact CE3-CZ 4.22Å; W76-F330 AromaticContact CZ3-CE2 3.95Å; W76-F330 HydrophobicContact CZ3-CE2 3.95Å; W76-F330 AromaticContact CZ3-CZ 3.99Å; W76-F330 HydrophobicContact CZ3-CZ 3.99Å; R94-F330 HydrophobicContact CB-CD1 4.24Å; R94-F330 HydrophobicContact CB-CE1 4.12Å; I95-F330 WeakPolarHBondContact O-CD1 3.47Å; I95-F330 PolarHBondContact O-N 3.3Å; N96-F330 CarbonylContact C-O 3.57Å; N96-F330 WeakPolarHBondContact CA-O 3.39Å; N96-F330 HydrophobicContact CB-CD2 4.37Å; N96-F330 HydrophobicContact CB-CE1 4Å; N96-F330 HydrophobicContact CB-CE2 3.65Å; N96-F330 HydrophobicContact CB-CZ 3.44Å; N96-F330 VanDerWaalsContact CB-CZ 3.44Å; N96-F330 VanDerWaalsContact O-O 3.1Å; H97-F330 PolarHBondContact N-O 3.27Å; L209-F330 HydrophobicContact CD1-CD2 4.03Å; V210-F330 CarbonylContact O-C 3.57Å; V210-F330 WeakPolarHBondContact O-CA 3.48Å; V210-F330 WeakPolarHBondContact O-CB 3.46Å; F330-L378 HydrophobicContact CB-CD1 4.5Å; F330-L378 HydrophobicContact CB-CD2 3.61Å; F330-L378 HydrophobicContact CD1-CD1 3.5Å; F330-L378 VanDerWaalsContact CD1-CD1 3.5Å; F330-L378 HydrophobicContact CD1-CD2 4.04Å; F330-L378 HydrophobicContact CD1-CG 4.43Å; F330-L378 HydrophobicContact CD2-CD1 3.8Å; F330-L378 HydrophobicContact CD2-CD2 4.24Å; F330-L378 HydrophobicContact CE1-CD1 3.46Å; F330-L378 VanDerWaalsContact CE1-CD1 3.46Å; F330-L378 HydrophobicContact CE2-CD1 3.76Å; F330-L378 HydrophobicContact CG-CD1 3.66Å; F330-L378 HydrophobicContact CG-CD2 3.71Å; F330-L378 HydrophobicContact CG-CG 4.29Å; F330-L378 HydrophobicContact CZ-CD1 3.59Å
331	E	98.6	Very high	90.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	137.5	177.8	-162.9	158.3	-158.7	0	0	110.9	H97 F98 M101 L209 V210 L333 R352	H97-E331 IonicContact CE1-OE1 2.93Å; H97-E331 IonicContact CG-OE1 3.36Å; H97-E331 IonicContact ND1-OE1 3.91Å; H97-E331 PolarHBondContact ND1-OE1 3.4Å; F98-E331 WeakPolarHBondContact CB-OE2 3.23Å; F98-E331 HydrophobicContact CD2-CB 3.77Å; F98-E331 HydrophobicContact CE2-CB 4.28Å; F98-E331 PolarHBondContact N-OE2 3.17Å; M101-E331 WeakPolarHBondContact CB-OE2 3.24Å; M101-E331 WeakPolarHBondContact CE-OE2 3.48Å; M101-E331 VanDerWaalsContact CG-OE2 3.32Å; M101-E331 WeakPolarHBondContact CG-OE2 3.33Å; L209-E331 WeakPolarHBondContact CA-O 3.48Å; V210-E331 PolarHBondContact N-O 2.96Å; V210-E331 PolarHBondContact O-N 3.09Å; E331-L333 HydrophobicContact CG-CD2 3.72Å; E331-L333 HydrophobicContact CG-CG 4.31Å; E331-R352 IonicContact OE1-CZ 3.48Å; E331-R352 IonicContact OE1-NE 3.9Å; E331-R352 PolarHBondContact OE1-NE 3.24Å; E331-R352 IonicContact OE1-NH2 3.25Å; E331-R352 PolarHBondContact OE1-NH2 2.9Å; E331-R352 VanDerWaalsContact OE1-NH2 3.11Å
332	V	98.6	Very high	92.1	Very high	8 Å²	8	30.9 Å²	30.9	5%	0.048	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	107.7	172.7	-178.9	0	0	0	0	108.1	Y207 I208 L209 F356 V370 A374	Y207-V332 HydrophobicContact CD1-CG1 4.26Å; I208-V332 CarbonylContact O-C 3.29Å; I208-V332 WeakPolarHBondContact O-CA 3.47Å; L209-V332 HydrophobicContact CD1-CG2 4.02Å; V332-F356 HydrophobicContact CB-CZ 4.37Å; V332-F356 HydrophobicContact CG1-CZ 3.91Å; V332-V370 HydrophobicContact CG1-CG1 3.78Å; V332-A374 HydrophobicContact CG2-CB 4.4Å
333	L	98.6	Very high	93.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	139	-178.5	-58.1	175	0	0	0	110.4	M101 Y207 I208 V210 L303 E331 F335 I350 R352	M101-L333 HydrophobicContact CG-CD2 4.07Å; M101-L333 HydrophobicContact SD-CD1 4.13Å; Y207-L333 WeakPolarHBondContact CA-O 3.41Å; I208-L333 HydrophobicContact CB-CB 4.4Å; I208-L333 PolarHBondContact N-O 3.22Å; I208-L333 PolarHBondContact O-N 2.77Å; V210-L333 HydrophobicContact CG2-CD1 4.22Å; L303-L333 HydrophobicContact CD2-CD1 3.97Å; E331-L333 HydrophobicContact CG-CD2 3.72Å; E331-L333 HydrophobicContact CG-CG 4.31Å; L333-F335 HydrophobicContact CB-CD2 4.09Å; L333-F335 HydrophobicContact CB-CE2 3.82Å; L333-F335 HydrophobicContact CD1-CE2 3.98Å; L333-I350 HydrophobicContact CB-CG2 4.22Å; L333-I350 HydrophobicContact CD1-CG2 4.38Å; L333-I350 HydrophobicContact CD2-CG2 4.47Å; L333-R352 HydrophobicContact CD2-CB 4.11Å
334	G	98.2	Very high	94.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	109.9	168.7	0	0	0	0	0	110.8	N351	G334-N351 PolarHBondContact N-O 3.14Å; G334-N351 WeakPolarHBondContact O-CB 3.46Å; G334-N351 PolarHBondContact O-N 3.11Å
335	F	98.6	Very high	96.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	129	175.3	-82.9	-118	0	0	0	109.9	L204 R205 I206 I208 L298 V299 T302 L333 I337 L347 I350	L204-F335 VanDerWaalsContact O-O 3.11Å; R205-F335 WeakPolarHBondContact CA-O 3.49Å; I206-F335 PolarHBondContact N-O 3.07Å; I206-F335 PolarHBondContact O-N 3.41Å; I208-F335 HydrophobicContact CB-CD2 4.09Å; I208-F335 HydrophobicContact CB-CE2 4Å; I208-F335 HydrophobicContact CG1-CD2 3.45Å; I208-F335 VanDerWaalsContact CG1-CD2 3.45Å; I208-F335 HydrophobicContact CG1-CE2 3.7Å; I208-F335 HydrophobicContact CG1-CG 4.1Å; I208-F335 HydrophobicContact CG2-CE2 4.49Å; L298-F335 HydrophobicContact CD2-CD1 4.29Å; V299-F335 HydrophobicContact CB-CE1 4.5Å; V299-F335 HydrophobicContact CG1-CE1 4.44Å; V299-F335 HydrophobicContact CG1-CZ 4.24Å; V299-F335 HydrophobicContact CG2-CD1 4.05Å; V299-F335 HydrophobicContact CG2-CE1 4.14Å; V299-F335 HydrophobicContact CG2-CG 4.48Å; T302-F335 HydrophobicContact CG2-CE1 3.82Å; T302-F335 HydrophobicContact CG2-CZ 4.18Å; L333-F335 HydrophobicContact CB-CD2 4.09Å; L333-F335 HydrophobicContact CB-CE2 3.82Å; L333-F335 HydrophobicContact CD1-CE2 3.98Å; F335-I337 HydrophobicContact CB-CD1 4.31Å; F335-I337 HydrophobicContact CB-CG1 4.39Å; F335-L347 HydrophobicContact CD1-CD1 3.77Å; F335-L347 HydrophobicContact CE1-CD1 4.24Å; F335-I350 HydrophobicContact CD1-CG1 4.13Å; F335-I350 HydrophobicContact CD2-CG2 4.02Å; F335-I350 HydrophobicContact CE1-CD1 3.83Å; F335-I350 HydrophobicContact CE1-CG1 3.94Å; F335-I350 HydrophobicContact CE2-CG1 4.44Å; F335-I350 HydrophobicContact CE2-CG2 3.74Å; F335-I350 HydrophobicContact CG-CG1 4.47Å; F335-I350 HydrophobicContact CZ-CD1 3.83Å; F335-I350 HydrophobicContact CZ-CG1 4.11Å; F335-I350 HydrophobicContact CZ-CG2 4.11Å
336	D	97.8	Very high	97.3	Very high	4 Å²	4	26 Å²	26	2%	0.021	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	113.4	175	-68.4	23.1	0	0	0	107.9	L204 R205 R227 L348 E349 N351	L204-D336 WeakPolarHBondContact O-CA 2.98Å; R205-D336 IonicContact CZ-OD1 3.56Å; R205-D336 IonicContact NE-OD1 2.75Å; R205-D336 PolarHBondContact NE-OD1 3.43Å; R205-D336 VanDerWaalsContact NH2-CG 3.3Å; R205-D336 IonicContact NH2-OD1 3.44Å; R205-D336 PolarHBondContact NH2-OD1 3.19Å; R205-D336 IonicContact NH2-OD2 3.45Å; R205-D336 PolarHBondContact NH2-OD2 2.99Å; R227-D336 IonicContact CZ-OD2 3.64Å; R227-D336 IonicContact NH1-OD2 2.68Å; R227-D336 IonicContact NH2-OD1 2.7Å; R227-D336 IonicContact NH2-OD2 3.22Å; R227-D336 PolarHBondContact NH2-OD2 3.05Å; D336-L348 HydrophobicContact CB-CB 4.3Å; D336-L348 WeakPolarHBondContact O-CB 3.18Å; D336-L348 PolarHBondContact O-N 3.12Å; D336-E349 HydrophobicContact CB-CG 3.64Å; D336-E349 PolarHBondContact N-O 2.83Å; D336-N351 PolarHBondContact OD1-ND2 2.99Å; D336-N351 PolarHBondContact OD2-ND2 3.46Å
337	I	98.6	Very high	97.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	137.2	-173	-64.4	174.5	0	0	0	109.8	L204 I206 I295 L298 F335 L339 P345 W346	L204-I337 HydrophobicContact CB-CB 4.42Å; L204-I337 PolarHBondContact N-O 3.37Å; L204-I337 PolarHBondContact O-N 2.7Å; I206-I337 HydrophobicContact CD1-CD1 4.03Å; I295-I337 HydrophobicContact CD1-CD1 3.66Å; I295-I337 HydrophobicContact CD1-CG2 3.79Å; I295-I337 HydrophobicContact CG2-CD1 4.34Å; L298-I337 HydrophobicContact CD1-CD1 4.32Å; L298-I337 HydrophobicContact CD2-CD1 3.95Å; L298-I337 HydrophobicContact CD2-CG1 4.47Å; F335-I337 HydrophobicContact CB-CD1 4.31Å; F335-I337 HydrophobicContact CB-CG1 4.39Å; I337-L339 HydrophobicContact CG2-CD2 4.43Å; I337-P345 HydrophobicContact CG2-CB 3.72Å; I337-W346 WeakPolarHBondContact CA-O 3.17Å
338	L	98.5	Very high	98	Very high	5 Å²	5	25.8 Å²	25.8	3%	0.026	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	134.2	171.4	-178.5	61.8	0	0	0	109.8	I191 P194 F202 W346 L348	I191-L338 HydrophobicContact CB-CD2 3.86Å; I191-L338 HydrophobicContact CD1-CB 4.4Å; I191-L338 HydrophobicContact CD1-CD2 3.79Å; I191-L338 HydrophobicContact CD1-CG 4.4Å; I191-L338 HydrophobicContact CG1-CD2 4.44Å; I191-L338 HydrophobicContact CG2-CD2 4.08Å; P194-L338 HydrophobicContact CB-CD1 4.07Å; P194-L338 HydrophobicContact CB-CD2 4.48Å; P194-L338 HydrophobicContact CB-CG 4.5Å; F202-L338 WeakPolarHBondContact O-CD1 3.46Å; L338-W346 PolarHBondContact N-O 3.41Å; L338-W346 WeakPolarHBondContact O-CB 3.47Å; L338-W346 PolarHBondContact O-N 2.94Å; L338-L348 HydrophobicContact CB-CD1 3.97Å; L338-L348 HydrophobicContact CB-CD2 4.06Å; L338-L348 HydrophobicContact CB-CG 4.08Å
339	L	98.6	Very high	98	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	134	171	-57.5	-177	0	0	0	109.4	P194 F195 F202 L204 F277 F291 I337 L343 P345	P194-L339 CarbonylContact C-O 2.75Å; P194-L339 WeakPolarHBondContact CA-O 3.44Å; F195-L339 HydrophobicContact CB-CB 3.95Å; F195-L339 PolarHBondContact N-O 3.03Å; F202-L339 HydrophobicContact CE2-CD1 4.44Å; F202-L339 HydrophobicContact CZ-CD1 4.44Å; L204-L339 HydrophobicContact CD1-CD1 4Å; L204-L339 HydrophobicContact CD1-CD2 4.29Å; L204-L339 HydrophobicContact CD1-CG 4.02Å; F277-L339 HydrophobicContact CE1-CD1 3.8Å; F277-L339 HydrophobicContact CZ-CD1 3.58Å; F291-L339 HydrophobicContact CD2-CD1 4.21Å; F291-L339 HydrophobicContact CD2-CD2 4.39Å; F291-L339 HydrophobicContact CE2-CD1 3.96Å; F291-L339 HydrophobicContact CE2-CD2 4.15Å; I337-L339 HydrophobicContact CG2-CD2 4.43Å; L339-L343 HydrophobicContact CD1-CD2 3.79Å; L339-P345 HydrophobicContact CD2-CB 3.85Å
340	D	98.1	Very high	97.9	Very high	22 Å²	22	27.1 Å²	27.1	12%	0.118	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-82.8	171.7	166.9	74.7	25.4	0	0	0	111.8	I191 F195 K342 L343 K344 W346	I191-D340 HydrophobicContact CG2-CB 4.16Å; F195-D340 WeakPolarHBondContact CB-O 3.47Å; F195-D340 VanDerWaalsContact N-C 3.35Å; D340-K342 PolarHBondContact O-N 3.34Å; D340-K342 WeakPolarHBondContact OD1-CA 3.21Å; D340-K342 WeakPolarHBondContact OD1-CB 3.13Å; D340-K342 PolarHBondContact OD1-N 2.96Å; D340-L343 WeakPolarHBondContact O-CA 3.5Å; D340-L343 PolarHBondContact O-N 3.06Å; D340-K344 PolarHBondContact N-O 2.84Å; D340-K344 WeakPolarHBondContact OD1-CB 3.42Å; D340-K344 PolarHBondContact OD1-N 3.17Å; D340-K344 WeakPolarHBondContact OD2-CB 3.27Å; D340-W346 PolarHBondContact OD2-NE1 3.28Å
341	R	97.5	Very high	97.7	Very high	151 Å²	151	29 Å²	29	57%	0.57	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	-13.6	180	64.9	168.9	177.8	166.4	6.5	115.5	K193	K193-R341 HydrophobicContact CB-CB 4.42Å; K193-R341 HydrophobicContact CB-CG 4.05Å; K193-R341 PolarHBondContact O-N 3.45Å
342	K	97.3	Very high	97.4	Very high	166 Å²	166	31.2 Å²	31.2	72%	0.722	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.1	13.8	175.3	-58.8	-174.1	174.3	-170.8	0	112.1	D340 K344	D340-K342 PolarHBondContact O-N 3.34Å; D340-K342 WeakPolarHBondContact OD1-CA 3.21Å; D340-K342 WeakPolarHBondContact OD1-CB 3.13Å; D340-K342 PolarHBondContact OD1-N 2.96Å; K342-K344 PolarHBondContact O-N 2.78Å; K342-K344 VanDerWaalsContact O-N 3.16Å
343	L	97.8	Very high	97	Very high	27 Å²	27	33.4 Å²	33.4	14%	0.141	16%	0.156	C	C	.	.			trans	57.7	19.7	-172.7	-66.8	168.7	0	0	0	114.1	F195 L281 H286 L339 D340 P345	F195-L343 HydrophobicContact CB-CD2 4.37Å; F195-L343 HydrophobicContact CD1-CD2 3.97Å; F195-L343 HydrophobicContact CD2-CD2 3.59Å; F195-L343 HydrophobicContact CD2-CG 3.99Å; F195-L343 HydrophobicContact CE1-CD2 4.1Å; F195-L343 HydrophobicContact CE2-CD1 4.45Å; F195-L343 HydrophobicContact CE2-CD2 3.75Å; F195-L343 HydrophobicContact CE2-CG 4.05Å; F195-L343 HydrophobicContact CG-CD2 3.71Å; F195-L343 HydrophobicContact CZ-CD2 4Å; L281-L343 HydrophobicContact CD2-CD1 4.18Å; L281-L343 HydrophobicContact CD2-CD2 3.92Å; H286-L343 HydrophobicContact CB-CD1 3.68Å; L339-L343 HydrophobicContact CD1-CD2 3.79Å; D340-L343 WeakPolarHBondContact O-CA 3.5Å; D340-L343 PolarHBondContact O-N 3.06Å; L343-P345 WeakPolarHBondContact O-CD 3.45Å
344	K	98.4	Very high	96.8	Very high	61 Å²	61	33.6 Å²	33.6	27%	0.265	16%	0.157	S	C	.	.			trans	-73.5	127.6	172.7	179.5	-171.5	172.9	-167	0	108.9	T126 D340 K342 W346	T126-K344 WeakPolarHBondContact O-CE 3.38Å; T126-K344 PolarHBondContact O-NZ 2.87Å; D340-K344 PolarHBondContact N-O 2.84Å; D340-K344 WeakPolarHBondContact OD1-CB 3.42Å; D340-K344 PolarHBondContact OD1-N 3.17Å; D340-K344 WeakPolarHBondContact OD2-CB 3.27Å; K342-K344 PolarHBondContact O-N 2.78Å; K342-K344 VanDerWaalsContact O-N 3.16Å; K344-W346 HydrophobicContact CD-CZ2 4Å; K344-W346 VanDerWaalsContact NZ-CH2 3.34Å; K344-W346 VanDerWaalsContact NZ-CZ2 3.25Å; K344-W346 VanDerWaalsContact O-CD1 3.25Å
345	P	98.7	Very high	96.4	Very high	7 Å²	7	36.6 Å²	36.6	5%	0.045	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	136.5	177.3	32.1	-34.6	0	0	0	112	D294 I295 L298 I337 L339 L343	D294-P345 HydrophobicContact CB-CG 3.73Å; I295-P345 HydrophobicContact CD1-CB 3.52Å; I295-P345 HydrophobicContact CD1-CG 4.16Å; I295-P345 HydrophobicContact CG1-CB 4.42Å; L298-P345 HydrophobicContact CD1-CB 3.85Å; L298-P345 HydrophobicContact CD1-CG 4.13Å; I337-P345 HydrophobicContact CG2-CB 3.72Å; L339-P345 HydrophobicContact CD2-CB 3.85Å; L343-P345 WeakPolarHBondContact O-CD 3.45Å
346	W	98.8	Very high	96.3	Very high	47 Å²	47	37 Å²	37	18%	0.178	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	125.6	176.2	-66.2	87.7	0	0	0	110.4	T126 F127 P129 I191 I337 L338 D340 K344 L348	T126-W346 VanDerWaalsContact O-CZ3 3.32Å; T126-W346 WeakPolarHBondContact O-CZ3 3.15Å; F127-W346 CarbonylContact O-C 3.51Å; F127-W346 VanDerWaalsContact O-CA 3.29Å; F127-W346 WeakPolarHBondContact O-CA 3.4Å; P129-W346 HydrophobicContact CG-CE3 3.89Å; I191-W346 HydrophobicContact CD1-CB 3.45Å; I191-W346 VanDerWaalsContact CD1-CB 3.45Å; I191-W346 HydrophobicContact CD1-CD2 4Å; I191-W346 HydrophobicContact CD1-CG 3.51Å; I191-W346 HydrophobicContact CG1-CD2 4.45Å; I191-W346 HydrophobicContact CG1-CG 4.36Å; I337-W346 WeakPolarHBondContact CA-O 3.17Å; L338-W346 PolarHBondContact N-O 3.41Å; L338-W346 WeakPolarHBondContact O-CB 3.47Å; L338-W346 PolarHBondContact O-N 2.94Å; D340-W346 PolarHBondContact OD2-NE1 3.28Å; K344-W346 HydrophobicContact CD-CZ2 4Å; K344-W346 VanDerWaalsContact NZ-CH2 3.34Å; K344-W346 VanDerWaalsContact NZ-CZ2 3.25Å; K344-W346 VanDerWaalsContact O-CD1 3.25Å; W346-L348 PolarHBondContact O-N 2.73Å
347	L	98.6	Very high	96.1	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	124.7	175.7	179.1	65.2	0	0	0	110	L110 M114 F127 V128 P129 L298 T302 F335 I350	L110-L347 HydrophobicContact CD1-CD2 4.22Å; L110-L347 HydrophobicContact CD2-CD2 4.21Å; M114-L347 HydrophobicContact CE-CD2 3.87Å; F127-L347 HydrophobicContact CD2-CB 4.11Å; F127-L347 HydrophobicContact CE2-CD2 4.42Å; F127-L347 PolarHBondContact O-N 2.9Å; V128-L347 HydrophobicContact CG2-CD2 4.5Å; P129-L347 VanDerWaalsContact CD-O 3.31Å; P129-L347 WeakPolarHBondContact CD-O 3.3Å; L298-L347 HydrophobicContact CD1-CB 4.34Å; L298-L347 HydrophobicContact CD2-CB 4.22Å; L298-L347 HydrophobicContact CD2-CD1 4.24Å; T302-L347 HydrophobicContact CG2-CD2 3.83Å; F335-L347 HydrophobicContact CD1-CD1 3.77Å; F335-L347 HydrophobicContact CE1-CD1 4.24Å; L347-I350 HydrophobicContact CD1-CG1 3.96Å; L347-I350 HydrophobicContact CD2-CD1 4.35Å
348	L	95.1	Very high	95.8	Very high	39 Å²	39	40.2 Å²	40.2	20%	0.204	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	-52.4	175.6	-58.8	-172.7	0	0	0	112.2	I191 D336 L338 W346	I191-L348 HydrophobicContact CD1-CD2 4.29Å; D336-L348 HydrophobicContact CB-CB 4.3Å; D336-L348 WeakPolarHBondContact O-CB 3.18Å; D336-L348 PolarHBondContact O-N 3.12Å; L338-L348 HydrophobicContact CB-CD1 3.97Å; L338-L348 HydrophobicContact CB-CD2 4.06Å; L338-L348 HydrophobicContact CB-CG 4.08Å; W346-L348 PolarHBondContact O-N 2.73Å
349	E	94.4	Very high	95.2	Very high	28 Å²	28	45.4 Å²	45.4	13%	0.131	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	166.2	179.9	60.3	176.4	-142	0	0	111.4	K107 D336 N351	K107-E349 WeakPolarHBondContact CE-OE2 3.46Å; K107-E349 IonicContact NZ-OE2 3.77Å; K107-E349 PolarHBondContact NZ-OE2 3.29Å; D336-E349 HydrophobicContact CB-CG 3.64Å; D336-E349 PolarHBondContact N-O 2.83Å; E349-N351 PolarHBondContact OE1-ND2 3.48Å
350	I	96.9	Very high	94.6	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	120.1	177.2	-52.3	169.8	0	0	0	108.3	I104 C105 L110 T302 L333 F335 L347	I104-I350 HydrophobicContact CB-CD1 3.86Å; I104-I350 HydrophobicContact CD1-CD1 3.72Å; I104-I350 HydrophobicContact CG1-CD1 4.09Å; C105-I350 WeakPolarHBondContact CA-O 3.32Å; C105-I350 WeakPolarHBondContact CB-O 3.4Å; L110-I350 HydrophobicContact CD1-CD1 4.35Å; T302-I350 HydrophobicContact CG2-CD1 3.32Å; L333-I350 HydrophobicContact CB-CG2 4.22Å; L333-I350 HydrophobicContact CD1-CG2 4.38Å; L333-I350 HydrophobicContact CD2-CG2 4.47Å; F335-I350 HydrophobicContact CD1-CG1 4.13Å; F335-I350 HydrophobicContact CD2-CG2 4.02Å; F335-I350 HydrophobicContact CE1-CD1 3.83Å; F335-I350 HydrophobicContact CE1-CG1 3.94Å; F335-I350 HydrophobicContact CE2-CG1 4.44Å; F335-I350 HydrophobicContact CE2-CG2 3.74Å; F335-I350 HydrophobicContact CG-CG1 4.47Å; F335-I350 HydrophobicContact CZ-CD1 3.83Å; F335-I350 HydrophobicContact CZ-CG1 4.11Å; F335-I350 HydrophobicContact CZ-CG2 4.11Å; L347-I350 HydrophobicContact CD1-CG1 3.96Å; L347-I350 HydrophobicContact CD2-CD1 4.35Å
351	N	94.6	Very high	94.2	Very high	39 Å²	39	50.2 Å²	50.2	21%	0.209	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	110.4	-179.7	-71.8	-57.7	0	0	0	109.4	R205 G334 D336 E349 A353 P354	R205-N351 PolarHBondContact NH2-ND2 3.45Å; R205-N351 VanDerWaalsContact NH2-ND2 3.18Å; G334-N351 PolarHBondContact N-O 3.14Å; G334-N351 WeakPolarHBondContact O-CB 3.46Å; G334-N351 PolarHBondContact O-N 3.11Å; D336-N351 PolarHBondContact OD1-ND2 2.99Å; D336-N351 PolarHBondContact OD2-ND2 3.46Å; E349-N351 PolarHBondContact OE1-ND2 3.48Å; N351-A353 VanDerWaalsContact C-N 3.25Å; N351-A353 PolarHBondContact O-N 3.23Å; N351-P354 WeakPolarHBondContact O-CD 3.36Å
352	R	92.6	Very high	94	Very high	48 Å²	48	44.5 Å²	44.5	18%	0.181	23%	0.232	C	C	.	.	S	Bend	trans	-72.2	-19.2	172.6	64.7	-177.5	-52.2	173.7	11.7	114.6	A80 H97 F98 C105 E331 L333 P354	A80-R352 VanDerWaalsContact CB-CZ 3.45Å; H97-R352 PolarHBondContact CE1-O 3.25Å; F98-R352 PolarHBondContact O-NH2 2.88Å; F98-R352 VanDerWaalsContact O-NH2 3.1Å; C105-R352 HydrophobicContact CB-CB 4.13Å; C105-R352 HydrophobicContact CB-CG 4.18Å; E331-R352 IonicContact OE1-CZ 3.48Å; E331-R352 IonicContact OE1-NE 3.9Å; E331-R352 PolarHBondContact OE1-NE 3.24Å; E331-R352 IonicContact OE1-NH2 3.25Å; E331-R352 PolarHBondContact OE1-NH2 2.9Å; E331-R352 VanDerWaalsContact OE1-NH2 3.11Å; L333-R352 HydrophobicContact CD2-CB 4.11Å; R352-P354 VanDerWaalsContact C-CD 3.43Å
353	A	90.1	Very high	93.7	Very high	54 Å²	54	36.8 Å²	36.8	45%	0.446	20%	0.199	S	C	.	.	S	Bend	trans	-125.2	64.7	178.7	0	0	0	0	0	108.8	D78 N351	D78-A353 WeakPolarHBondContact O-CB 3.49Å; N351-A353 VanDerWaalsContact C-N 3.25Å; N351-A353 PolarHBondContact O-N 3.23Å
354	P	93.1	Very high	93.6	Very high	4 Å²	4	39.1 Å²	39.1	3%	0.026	21%	0.206	C	C	.	.			trans	-62.6	142.4	178.5	28.9	-33.2	0	0	0	109.5	Y207 N351 R352 F356	Y207-P354 HydrophobicContact CE1-CB 4.16Å; Y207-P354 HydrophobicContact CE1-CG 4.35Å; N351-P354 WeakPolarHBondContact O-CD 3.36Å; R352-P354 VanDerWaalsContact C-CD 3.43Å; P354-F356 HydrophobicContact CG-CE2 3.92Å; P354-F356 HydrophobicContact CG-CZ 3.79Å; P354-F356 WeakPolarHBondContact O-CD2 3.1Å; P354-F356 PolarHBondContact O-N 3.09Å
355	S	91.6	Very high	93.5	Very high	63 Å²	63	39.9 Å²	39.9	44%	0.441	21%	0.213	S	C	.	.			trans	-64.1	127.7	175.8	177.1	0	0	0	0	110.5	G357 K367	S355-G357 PolarHBondContact OG-N 3.31Å; S355-K367 WeakPolarHBondContact O-CE 3.45Å
356	F	95.8	Very high	93.4	Very high	9 Å²	9	39.7 Å²	39.7	4%	0.039	21%	0.212	C	C	.	.			trans	-103.7	21.1	171	-65.6	-72.5	0	0	0	112.4	F50 I52 V53 W76 Y207 V332 P354 K367 V370 L371	F50-F356 HydrophobicContact CB-CB 3.97Å; F50-F356 VanDerWaalsContact CD1-C 3.41Å; F50-F356 HydrophobicContact CD1-CB 4.17Å; F50-F356 HydrophobicContact CD2-CB 3.86Å; F50-F356 HydrophobicContact CD2-CD2 4.29Å; F50-F356 HydrophobicContact CE2-CB 4.37Å; F50-F356 HydrophobicContact CE2-CD2 4.48Å; F50-F356 HydrophobicContact CG-CB 3.74Å; I52-F356 HydrophobicContact CG2-CB 3.83Å; I52-F356 WeakPolarHBondContact CG2-O 3.19Å; V53-F356 HydrophobicContact CG2-CB 4.3Å; V53-F356 HydrophobicContact CG2-CD2 4.36Å; V53-F356 HydrophobicContact CG2-CG 4.43Å; W76-F356 HydrophobicContact CZ2-CE2 4.12Å; Y207-F356 HydrophobicContact CE1-CE1 4.12Å; V332-F356 HydrophobicContact CB-CZ 4.37Å; V332-F356 HydrophobicContact CG1-CZ 3.91Å; P354-F356 HydrophobicContact CG-CE2 3.92Å; P354-F356 HydrophobicContact CG-CZ 3.79Å; P354-F356 WeakPolarHBondContact O-CD2 3.1Å; P354-F356 PolarHBondContact O-N 3.09Å; F356-K367 HydrophobicContact CD1-CB 4.17Å; F356-K367 HydrophobicContact CD1-CG 4.14Å; F356-V370 HydrophobicContact CE1-CG1 4.38Å; F356-L371 HydrophobicContact CD1-CD1 4.04Å; F356-L371 HydrophobicContact CD1-CD2 4.19Å; F356-L371 HydrophobicContact CD1-CG 4.2Å; F356-L371 HydrophobicContact CE1-CD1 4.4Å; F356-L371 HydrophobicContact CE1-CD2 3.79Å; F356-L371 HydrophobicContact CE1-CG 4.07Å; F356-L371 HydrophobicContact CE2-CD2 4.32Å; F356-L371 HydrophobicContact CG-CD1 4.41Å; F356-L371 HydrophobicContact CZ-CD2 3.86Å
357	G	93.3	Very high	93.4	Very high	20 Å²	20	38 Å²	38	21%	0.206	21%	0.206	C	C	.	.			trans	-64.2	143.4	170.9	0	0	0	0	0	111.4	F50 S355 K367	F50-G357 VanDerWaalsContact CD1-N 3.3Å; S355-G357 PolarHBondContact OG-N 3.31Å; G357-K367 WeakPolarHBondContact O-CD 3.38Å; G357-K367 PolarHBondContact O-NZ 3.47Å
358	T	92.1	Very high	93.3	Very high	51 Å²	51	41.1 Å²	41.1	31%	0.313	22%	0.218	S	C	.	.			trans	-122.9	66.2	-173.6	51.6	0	0	0	0	111.1	I52 Q360 D363 K367	I52-T358 HydrophobicContact CB-CG2 3.86Å; I52-T358 HydrophobicContact CG1-CG2 4.05Å; I52-T358 HydrophobicContact CG2-CG2 4.03Å; T358-Q360 VanDerWaalsContact C-N 3.32Å; T358-D363 HydrophobicContact CG2-CB 4.49Å; T358-K367 HydrophobicContact CG2-CD 4.28Å
359	D	86.9	Confident	93.5	Very high	114 Å²	114	39.7 Å²	39.7	61%	0.61	21%	0.212	S	C	*	.	S	Bend	trans	-73.4	-24.5	-178	-57.3	-12.4	0	0	0	112.7	Y251	Y251-D359 PolarHBondContact OH-OD2 3.24Å
360	Q	86.3	Confident	93.7	Very high	19 Å²	19	38.4 Å²	38.4	9%	0.089	21%	0.206	C	C	.	.	S	Bend	trans	-129.8	158.8	-177.2	-64.1	179.7	-83	0	0	111	E264 K271 T358 I362 D363 Y364	E264-Q360 WeakPolarHBondContact OE1-CA 3.28Å; K271-Q360 VanDerWaalsContact CE-OE1 3.29Å; T358-Q360 VanDerWaalsContact C-N 3.32Å; Q360-I362 VanDerWaalsContact C-N 3.3Å; Q360-I362 PolarHBondContact O-N 3.16Å; Q360-D363 WeakPolarHBondContact O-CB 3.4Å; Q360-D363 PolarHBondContact O-N 3.15Å; Q360-Y364 PolarHBondContact O-N 3.19Å; Q360-Y364 VanDerWaalsContact O-N 3.13Å
361	K	89.6	Confident	93.8	Very high	104 Å²	104	38.4 Å²	38.4	45%	0.452	21%	0.206	S	C	.	.	H	α-helix	trans	-57.1	-41.2	179.3	-178.5	53.5	172.6	152.2	0	113.1	E264 D363 Y364 D365	E264-K361 PolarHBondContact OE1-N 3.38Å; K361-D363 VanDerWaalsContact C-N 3.31Å; K361-D363 PolarHBondContact O-N 3.3Å; K361-Y364 WeakPolarHBondContact O-CB 3.48Å; K361-Y364 PolarHBondContact O-N 3.46Å; K361-Y364 VanDerWaalsContact O-N 3.13Å; K361-D365 WeakPolarHBondContact CD-OD2 3.43Å; K361-D365 WeakPolarHBondContact CE-OD2 3.4Å; K361-D365 VanDerWaalsContact NZ-CG 3.34Å; K361-D365 IonicContact NZ-OD1 3.85Å; K361-D365 PolarHBondContact NZ-OD1 3.37Å; K361-D365 IonicContact NZ-OD2 3.02Å; K361-D365 PolarHBondContact NZ-OD2 2.83Å; K361-D365 PolarHBondContact O-N 2.83Å
362	I	91.4	Very high	93.9	Very high	32 Å²	32	37.1 Å²	37.1	16%	0.164	20%	0.199	C	C	.	.	H	α-helix	trans	-60.1	-40.8	176.2	-61.1	173	0	0	0	111.3	L225 K271 Q360 Y364 V366	L225-I362 HydrophobicContact CD2-CG2 3.93Å; K271-I362 WeakPolarHBondContact O-CD1 3.48Å; Q360-I362 VanDerWaalsContact C-N 3.3Å; Q360-I362 PolarHBondContact O-N 3.16Å; I362-Y364 VanDerWaalsContact C-N 3.35Å; I362-V366 HydrophobicContact CG2-CG2 4.33Å; I362-V366 WeakPolarHBondContact O-CB 3.41Å; I362-V366 WeakPolarHBondContact O-CG2 3.37Å; I362-V366 PolarHBondContact O-N 3.31Å; I362-V366 VanDerWaalsContact O-N 3.14Å
363	D	92.4	Very high	94.2	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.021	20%	0.196	C	C	.	.	H	α-helix	trans	-61.7	-46.3	175.7	-74.4	-64.7	0	0	0	110.5	L225 K271 T358 Q360 K361 K367	L225-D363 WeakPolarHBondContact CD1-OD1 3.09Å; K271-D363 IonicContact NZ-OD1 3.69Å; K271-D363 IonicContact NZ-OD2 3.73Å; K271-D363 PolarHBondContact NZ-OD2 2.83Å; T358-D363 HydrophobicContact CG2-CB 4.49Å; Q360-D363 WeakPolarHBondContact O-CB 3.4Å; Q360-D363 PolarHBondContact O-N 3.15Å; K361-D363 VanDerWaalsContact C-N 3.31Å; K361-D363 PolarHBondContact O-N 3.3Å; D363-K367 HydrophobicContact CB-CD 4.14Å; D363-K367 WeakPolarHBondContact O-CB 3.48Å; D363-K367 WeakPolarHBondContact O-CD 3.32Å; D363-K367 VanDerWaalsContact O-CG 3.25Å; D363-K367 WeakPolarHBondContact O-CG 3.26Å; D363-K367 PolarHBondContact O-N 3.14Å; D363-K367 IonicContact OD1-NZ 3.47Å; D363-K367 PolarHBondContact OD1-NZ 3.29Å
364	Y	95.4	Very high	94.6	Very high	75 Å²	75	33.3 Å²	33.3	29%	0.294	18%	0.175	S	C	.	.	H	α-helix	trans	-58.7	-53.6	178.9	179.4	-87.4	0	0	0	111.6	I52 L55 Q360 K361 I362 V366 R368	I52-Y364 HydrophobicContact CD1-CD2 3.73Å; I52-Y364 HydrophobicContact CD1-CE2 3.55Å; L55-Y364 HydrophobicContact CD2-CE2 3.89Å; Q360-Y364 PolarHBondContact O-N 3.19Å; Q360-Y364 VanDerWaalsContact O-N 3.13Å; K361-Y364 WeakPolarHBondContact O-CB 3.48Å; K361-Y364 PolarHBondContact O-N 3.46Å; K361-Y364 VanDerWaalsContact O-N 3.13Å; I362-Y364 VanDerWaalsContact C-N 3.35Å; Y364-V366 PolarHBondContact O-N 2.78Å; Y364-R368 WeakPolarHBondContact O-CB 3.29Å; Y364-R368 PolarHBondContact O-N 3.34Å; Y364-R368 WeakPolarHBondContact OH-CD 3.31Å
365	D	95.4	Very high	94.8	Very high	77 Å²	77	33.2 Å²	33.2	41%	0.412	17%	0.174	S	C	.	.	H	α-helix	trans	-63.8	-45.2	-173.6	-69.2	-31.5	0	0	0	112.1	K361 G369	K361-D365 WeakPolarHBondContact CD-OD2 3.43Å; K361-D365 WeakPolarHBondContact CE-OD2 3.4Å; K361-D365 VanDerWaalsContact NZ-CG 3.34Å; K361-D365 IonicContact NZ-OD1 3.85Å; K361-D365 PolarHBondContact NZ-OD1 3.37Å; K361-D365 IonicContact NZ-OD2 3.02Å; K361-D365 PolarHBondContact NZ-OD2 2.83Å; K361-D365 PolarHBondContact O-N 2.83Å; D365-G369 PolarHBondContact O-N 3.05Å
366	V	97.1	Very high	95.1	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.018	17%	0.17	C	C	.	.	H	α-helix	trans	-67.1	-52.9	178.6	175.2	0	0	0	0	110.6	Y207 L225 I362 Y364 G369 V370	Y207-V366 HydrophobicContact CD2-CG1 4.27Å; Y207-V366 HydrophobicContact CE2-CG1 3.91Å; L225-V366 HydrophobicContact CD2-CB 4.18Å; L225-V366 HydrophobicContact CD2-CG1 4.27Å; L225-V366 HydrophobicContact CD2-CG2 4.16Å; I362-V366 HydrophobicContact CG2-CG2 4.33Å; I362-V366 WeakPolarHBondContact O-CB 3.41Å; I362-V366 WeakPolarHBondContact O-CG2 3.37Å; I362-V366 PolarHBondContact O-N 3.31Å; I362-V366 VanDerWaalsContact O-N 3.14Å; Y364-V366 PolarHBondContact O-N 2.78Å; V366-G369 PolarHBondContact O-N 2.83Å; V366-V370 HydrophobicContact CG1-CG2 4.46Å; V366-V370 VanDerWaalsContact O-CG2 3.29Å; V366-V370 WeakPolarHBondContact O-CG2 3.48Å; V366-V370 PolarHBondContact O-N 2.91Å
367	K	98.3	Very high	95.1	Very high	11 Å²	11	34 Å²	34	5%	0.048	17%	0.17	C	C	.	.	H	α-helix	trans	-69.6	-38.1	-173.5	-69.6	163.1	172.6	160.6	0	112.2	Y207 S355 F356 G357 T358 D363 G369 V370 L371	Y207-K367 WeakPolarHBondContact OH-CE 3.36Å; S355-K367 WeakPolarHBondContact O-CE 3.45Å; F356-K367 HydrophobicContact CD1-CB 4.17Å; F356-K367 HydrophobicContact CD1-CG 4.14Å; G357-K367 WeakPolarHBondContact O-CD 3.38Å; G357-K367 PolarHBondContact O-NZ 3.47Å; T358-K367 HydrophobicContact CG2-CD 4.28Å; D363-K367 HydrophobicContact CB-CD 4.14Å; D363-K367 WeakPolarHBondContact O-CB 3.48Å; D363-K367 WeakPolarHBondContact O-CD 3.32Å; D363-K367 VanDerWaalsContact O-CG 3.25Å; D363-K367 WeakPolarHBondContact O-CG 3.26Å; D363-K367 PolarHBondContact O-N 3.14Å; D363-K367 IonicContact OD1-NZ 3.47Å; D363-K367 PolarHBondContact OD1-NZ 3.29Å; K367-G369 VanDerWaalsContact C-N 3.33Å; K367-V370 PolarHBondContact O-N 3.38Å; K367-L371 VanDerWaalsContact O-CG 3.27Å; K367-L371 WeakPolarHBondContact O-CG 3.37Å; K367-L371 PolarHBondContact O-N 3.39Å
368	R	98.3	Very high	95.2	Very high	68 Å²	68	34.1 Å²	34.1	26%	0.257	17%	0.166	S	C	.	.	H	α-helix	trans	-58.5	-48.6	172.4	-173.5	174.1	163.1	-87.9	5	110.5	I52 V56 E59 Y364 V370 L371 L372	I52-R368 HydrophobicContact CD1-CB 3.95Å; I52-R368 HydrophobicContact CD1-CG 4.2Å; I52-R368 HydrophobicContact CG1-CB 4.28Å; V56-R368 HydrophobicContact CG2-CB 4.49Å; V56-R368 HydrophobicContact CG2-CG 3.74Å; E59-R368 IonicContact OE1-CZ 3.49Å; E59-R368 IonicContact OE1-NH2 3.67Å; E59-R368 PolarHBondContact OE1-NH2 2.98Å; E59-R368 IonicContact OE2-CZ 3.45Å; E59-R368 VanDerWaalsContact OE2-CZ 3.25Å; E59-R368 IonicContact OE2-NE 3.29Å; E59-R368 PolarHBondContact OE2-NE 2.98Å; E59-R368 IonicContact OE2-NH2 3.77Å; E59-R368 PolarHBondContact OE2-NH2 2.66Å; Y364-R368 WeakPolarHBondContact O-CB 3.29Å; Y364-R368 PolarHBondContact O-N 3.34Å; Y364-R368 WeakPolarHBondContact OH-CD 3.31Å; R368-V370 PolarHBondContact O-N 3.35Å; R368-L371 PolarHBondContact O-N 2.89Å; R368-L372 WeakPolarHBondContact O-CB 3.41Å; R368-L372 PolarHBondContact O-N 3.5Å
369	G	98.1	Very high	95.3	Very high	9 Å²	9	34 Å²	34	9%	0.093	16%	0.164	C	C	.	.	H	α-helix	trans	-62.1	-41.9	179.8	0	0	0	0	0	113.2	Y221 D365 V366 K367 N373	Y221-G369 VanDerWaalsContact CZ-C 3.49Å; Y221-G369 WeakPolarHBondContact OH-CA 3.35Å; Y221-G369 PolarHBondContact OH-O 3.42Å; D365-G369 PolarHBondContact O-N 3.05Å; V366-G369 PolarHBondContact O-N 2.83Å; K367-G369 VanDerWaalsContact C-N 3.33Å; G369-N373 VanDerWaalsContact O-CB 3.25Å; G369-N373 WeakPolarHBondContact O-CB 3.34Å; G369-N373 VanDerWaalsContact O-CG 3.28Å; G369-N373 PolarHBondContact O-N 3.41Å; G369-N373 PolarHBondContact O-ND2 2.96Å
370	V	98.6	Very high	95.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-56	-55	173.6	166.9	0	0	0	0	110.5	Y207 Y221 V332 F356 V366 K367 R368 A374 Y454	Y207-V370 HydrophobicContact CD1-CG1 4.05Å; Y207-V370 HydrophobicContact CD1-CG2 4.35Å; Y207-V370 HydrophobicContact CD2-CG2 3.68Å; Y207-V370 HydrophobicContact CE2-CG2 4.35Å; Y207-V370 HydrophobicContact CG-CG1 4.04Å; Y207-V370 HydrophobicContact CG-CG2 3.67Å; Y221-V370 HydrophobicContact CD1-CG2 3.42Å; Y221-V370 VanDerWaalsContact CD1-CG2 3.42Å; Y221-V370 HydrophobicContact CD2-CG2 4.2Å; Y221-V370 HydrophobicContact CE1-CG2 3.63Å; Y221-V370 HydrophobicContact CE2-CG2 4.37Å; Y221-V370 HydrophobicContact CG-CG2 3.73Å; V332-V370 HydrophobicContact CG1-CG1 3.78Å; F356-V370 HydrophobicContact CE1-CG1 4.38Å; V366-V370 HydrophobicContact CG1-CG2 4.46Å; V366-V370 VanDerWaalsContact O-CG2 3.29Å; V366-V370 WeakPolarHBondContact O-CG2 3.48Å; V366-V370 PolarHBondContact O-N 2.91Å; K367-V370 PolarHBondContact O-N 3.38Å; R368-V370 PolarHBondContact O-N 3.35Å; V370-A374 WeakPolarHBondContact O-CB 3.37Å; V370-A374 PolarHBondContact O-N 3.25Å; V370-Y454 WeakPolarHBondContact CG1-OH 3.46Å; V370-Y454 PolarHBondContact O-OH 3.13Å
371	L	98.6	Very high	95.7	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-66.8	-46.7	-175.9	-65.4	169.8	0	0	0	111.9	I52 V53 V56 W76 F356 K367 R368 A374 L375	I52-L371 HydrophobicContact CG1-CD1 4.35Å; I52-L371 HydrophobicContact CG2-CD1 3.87Å; V53-L371 HydrophobicContact CG2-CD1 3.86Å; V53-L371 HydrophobicContact CG2-CD2 4.43Å; V56-L371 HydrophobicContact CB-CB 4.25Å; V56-L371 HydrophobicContact CG1-CB 3.87Å; V56-L371 HydrophobicContact CG2-CB 4.17Å; W76-L371 HydrophobicContact CH2-CD2 3.28Å; W76-L371 HydrophobicContact CZ2-CD2 3.62Å; W76-L371 HydrophobicContact CZ3-CD2 4.22Å; F356-L371 HydrophobicContact CD1-CD1 4.04Å; F356-L371 HydrophobicContact CD1-CD2 4.19Å; F356-L371 HydrophobicContact CD1-CG 4.2Å; F356-L371 HydrophobicContact CE1-CD1 4.4Å; F356-L371 HydrophobicContact CE1-CD2 3.79Å; F356-L371 HydrophobicContact CE1-CG 4.07Å; F356-L371 HydrophobicContact CE2-CD2 4.32Å; F356-L371 HydrophobicContact CG-CD1 4.41Å; F356-L371 HydrophobicContact CZ-CD2 3.86Å; K367-L371 VanDerWaalsContact O-CG 3.27Å; K367-L371 WeakPolarHBondContact O-CG 3.37Å; K367-L371 PolarHBondContact O-N 3.39Å; R368-L371 PolarHBondContact O-N 2.89Å; L371-A374 PolarHBondContact O-N 3.28Å; L371-L375 WeakPolarHBondContact O-CG 3.36Å; L371-L375 PolarHBondContact O-N 3.29Å
372	L	98.3	Very high	95.5	Very high	13 Å²	13	30.3 Å²	30.3	7%	0.068	15%	0.146	C	C	.	.	H	α-helix	trans	-64.3	-47.3	-175.8	-178.9	65.3	0	0	0	111.2	V56 M60 R368 A374 L375 K376	V56-L372 HydrophobicContact CG1-CB 3.92Å; V56-L372 HydrophobicContact CG1-CD1 4.14Å; M60-L372 HydrophobicContact CG-CD1 3.76Å; M60-L372 HydrophobicContact SD-CD1 3.58Å; M60-L372 VanDerWaalsContact SD-CD1 3.58Å; R368-L372 WeakPolarHBondContact O-CB 3.41Å; R368-L372 PolarHBondContact O-N 3.5Å; L372-A374 VanDerWaalsContact C-N 3.31Å; L372-A374 PolarHBondContact O-N 3Å; L372-L375 PolarHBondContact O-N 3.08Å; L372-K376 WeakPolarHBondContact O-CG 3.49Å; L372-K376 PolarHBondContact O-N 3.08Å
373	N	98.3	Very high	95.2	Very high	21 Å²	21	30.1 Å²	30.1	11%	0.112	15%	0.148	C	C	.	.	H	α-helix	trans	-69.9	-31.5	179.1	-65.3	-38.2	0	0	0	111.5	Y221 G369 K376 L377 Y454	Y221-N373 HydrophobicContact CE2-CB 4.35Å; Y221-N373 PolarHBondContact OH-ND2 3.1Å; G369-N373 VanDerWaalsContact O-CB 3.25Å; G369-N373 WeakPolarHBondContact O-CB 3.34Å; G369-N373 VanDerWaalsContact O-CG 3.28Å; G369-N373 PolarHBondContact O-N 3.41Å; G369-N373 PolarHBondContact O-ND2 2.96Å; N373-K376 PolarHBondContact O-N 2.92Å; N373-L377 WeakPolarHBondContact O-CB 3.17Å; N373-L377 WeakPolarHBondContact O-CG 3.49Å; N373-L377 PolarHBondContact O-N 3.5Å; N373-Y454 HydrophobicContact CB-CD2 3.73Å; N373-Y454 HydrophobicContact CB-CE2 3.91Å
374	A	98.3	Very high	94.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.5	-49.2	172.9	0	0	0	0	0	111.5	L209 V332 V370 L371 L372 K376 L377 L378 Y454	L209-A374 HydrophobicContact CD1-CB 4.09Å; L209-A374 HydrophobicContact CD2-CB 3.82Å; L209-A374 HydrophobicContact CG-CB 4.49Å; V332-A374 HydrophobicContact CG2-CB 4.4Å; V370-A374 WeakPolarHBondContact O-CB 3.37Å; V370-A374 PolarHBondContact O-N 3.25Å; L371-A374 PolarHBondContact O-N 3.28Å; L372-A374 VanDerWaalsContact C-N 3.31Å; L372-A374 PolarHBondContact O-N 3Å; A374-K376 VanDerWaalsContact C-N 3.31Å; A374-K376 PolarHBondContact O-N 2.92Å; A374-L377 WeakPolarHBondContact O-CB 3.46Å; A374-L377 PolarHBondContact O-N 2.98Å; A374-L377 VanDerWaalsContact O-N 3.14Å; A374-L378 WeakPolarHBondContact O-CG 3.47Å; A374-L378 PolarHBondContact O-N 3.45Å; A374-L378 VanDerWaalsContact O-N 3.09Å; A374-Y454 HydrophobicContact CB-CE2 4.13Å
375	L	97.6	Very high	94.5	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.016	15%	0.15	C	C	.	.	H	α-helix	trans	-63.8	-35.3	178.4	-64.4	-175.1	0	0	0	112.5	V56 I57 M60 L74 W76 L371 L372 L378	V56-L375 HydrophobicContact CG1-CD1 4Å; I57-L375 HydrophobicContact CG1-CD1 3.79Å; M60-L375 HydrophobicContact CE-CB 4.03Å; M60-L375 HydrophobicContact CG-CB 4.1Å; M60-L375 HydrophobicContact CG-CD1 4.03Å; M60-L375 HydrophobicContact SD-CB 4.42Å; L74-L375 HydrophobicContact CD1-CD2 4.43Å; L74-L375 HydrophobicContact CD2-CD1 4.39Å; L74-L375 HydrophobicContact CD2-CD2 3.85Å; W76-L375 HydrophobicContact CZ3-CD2 4.49Å; L371-L375 WeakPolarHBondContact O-CG 3.36Å; L371-L375 PolarHBondContact O-N 3.29Å; L372-L375 PolarHBondContact O-N 3.08Å; L375-L378 HydrophobicContact CD2-CD1 4.08Å; L375-L378 PolarHBondContact O-N 2.8Å
376	K	96.8	Very high	94.1	Very high	82 Å²	82	34.4 Å²	34.4	36%	0.357	16%	0.16	S	C	.	.	H	α-helix	trans	-63	-40.8	172.3	-73.7	176.7	179.4	175.9	0	112.5	M60 L372 N373 A374 N379 H446	M60-K376 HydrophobicContact CE-CG 3.9Å; M60-K376 HydrophobicContact SD-CG 3.75Å; L372-K376 WeakPolarHBondContact O-CG 3.49Å; L372-K376 PolarHBondContact O-N 3.08Å; N373-K376 PolarHBondContact O-N 2.92Å; A374-K376 VanDerWaalsContact C-N 3.31Å; A374-K376 PolarHBondContact O-N 2.92Å; K376-N379 PolarHBondContact O-N 2.84Å; K376-H446 PolarHBondContact O-NE2 3.47Å
377	L	96.3	Very high	93.6	Very high	7 Å²	7	39 Å²	39	4%	0.037	18%	0.177	C	C	.	.	H	α-helix	trans	-65.9	-35	177.1	-82.6	173.8	0	0	0	113	L209 F219 N373 A374 N379 E447 M451 Y454	L209-L377 HydrophobicContact CD2-CB 4.23Å; L209-L377 HydrophobicContact CD2-CD1 3.73Å; F219-L377 HydrophobicContact CD1-CD1 4.08Å; F219-L377 HydrophobicContact CE1-CD1 4.4Å; F219-L377 HydrophobicContact CE1-CD2 4.3Å; F219-L377 HydrophobicContact CG-CD1 4.24Å; N373-L377 WeakPolarHBondContact O-CB 3.17Å; N373-L377 WeakPolarHBondContact O-CG 3.49Å; N373-L377 PolarHBondContact O-N 3.5Å; A374-L377 WeakPolarHBondContact O-CB 3.46Å; A374-L377 PolarHBondContact O-N 2.98Å; A374-L377 VanDerWaalsContact O-N 3.14Å; L377-N379 PolarHBondContact O-N 3.07Å; L377-E447 HydrophobicContact CD2-CB 4.18Å; L377-E447 HydrophobicContact CD2-CG 4.32Å; L377-M451 HydrophobicContact CD2-CG 3.97Å; L377-Y454 HydrophobicContact CD1-CD2 3.7Å; L377-Y454 HydrophobicContact CD1-CE2 4.46Å; L377-Y454 HydrophobicContact CD1-CG 3.88Å
378	L	94.9	Very high	93	Very high	22 Å²	22	39 Å²	39	12%	0.115	18%	0.177	C	C	.	.	H	α-helix	trans	-65.6	-23.3	178.6	-65.4	178.2	0	0	0	113.6	T211 F330 A374 L375 I380	T211-L378 HydrophobicContact CG2-CD2 4.19Å; F330-L378 HydrophobicContact CB-CD1 4.5Å; F330-L378 HydrophobicContact CB-CD2 3.61Å; F330-L378 HydrophobicContact CD1-CD1 3.5Å; F330-L378 VanDerWaalsContact CD1-CD1 3.5Å; F330-L378 HydrophobicContact CD1-CD2 4.04Å; F330-L378 HydrophobicContact CD1-CG 4.43Å; F330-L378 HydrophobicContact CD2-CD1 3.8Å; F330-L378 HydrophobicContact CD2-CD2 4.24Å; F330-L378 HydrophobicContact CE1-CD1 3.46Å; F330-L378 VanDerWaalsContact CE1-CD1 3.46Å; F330-L378 HydrophobicContact CE2-CD1 3.76Å; F330-L378 HydrophobicContact CG-CD1 3.66Å; F330-L378 HydrophobicContact CG-CD2 3.71Å; F330-L378 HydrophobicContact CG-CG 4.29Å; F330-L378 HydrophobicContact CZ-CD1 3.59Å; A374-L378 WeakPolarHBondContact O-CG 3.47Å; A374-L378 PolarHBondContact O-N 3.45Å; A374-L378 VanDerWaalsContact O-N 3.09Å; L375-L378 HydrophobicContact CD2-CD1 4.08Å; L375-L378 PolarHBondContact O-N 2.8Å; L378-I380 VanDerWaalsContact C-N 3.33Å; L378-I380 HydrophobicContact CB-CD1 4.49Å; L378-I380 HydrophobicContact CB-CG1 4.05Å; L378-I380 HydrophobicContact CD1-CD1 4.42Å; L378-I380 PolarHBondContact O-N 3.45Å
379	N	94.3	Very high	92.3	Very high	49 Å²	49	39 Å²	39	26%	0.262	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	50	48.6	177.6	-161.3	8	0	0	0	113.5	K376 L377 R381 H446	K376-N379 PolarHBondContact O-N 2.84Å; L377-N379 PolarHBondContact O-N 3.07Å; N379-R381 WeakPolarHBondContact O-CG 3.31Å; N379-R381 PolarHBondContact O-N 3.29Å; N379-H446 WeakPolarHBondContact CB-NE2 3.47Å; N379-H446 PolarHBondContact ND2-CE1 3.2Å; N379-H446 PolarHBondContact ND2-ND1 3.27Å; N379-H446 VanDerWaalsContact ND2-ND1 3.12Å; N379-H446 PolarHBondContact OD1-CE1 2.84Å
380	I	93.4	Very high	91.7	Very high	14 Å²	14	41.2 Å²	41.2	7%	0.072	20%	0.2	C	C	.	.			trans	-68.3	121.8	178	-56.5	179.6	0	0	0	108	I41 F62 N73 L74 R94 L378	I41-I380 WeakPolarHBondContact CD1-O 3.3Å; I41-I380 HydrophobicContact CG2-CG2 3.67Å; F62-I380 HydrophobicContact CE1-CB 4.31Å; F62-I380 HydrophobicContact CE1-CD1 3.92Å; F62-I380 HydrophobicContact CE1-CG2 4.23Å; F62-I380 HydrophobicContact CZ-CB 4.03Å; F62-I380 HydrophobicContact CZ-CD1 4Å; F62-I380 HydrophobicContact CZ-CG1 4.45Å; F62-I380 HydrophobicContact CZ-CG2 4.41Å; N73-I380 HydrophobicContact CB-CG2 3.9Å; L74-I380 HydrophobicContact CB-CD1 4.15Å; L74-I380 HydrophobicContact CD1-CD1 4.23Å; R94-I380 HydrophobicContact CB-CD1 4.01Å; R94-I380 HydrophobicContact CG-CD1 3.89Å; R94-I380 HydrophobicContact CG-CG1 4.05Å; L378-I380 VanDerWaalsContact C-N 3.33Å; L378-I380 HydrophobicContact CB-CD1 4.49Å; L378-I380 HydrophobicContact CB-CG1 4.05Å; L378-I380 HydrophobicContact CD1-CD1 4.42Å; L378-I380 PolarHBondContact O-N 3.45Å
381	R	89.6	Confident	91	Very high	73 Å²	73	47.2 Å²	47.2	28%	0.275	23%	0.226	S	C	.	.			trans	-115.2	147.3	-175.9	-63.2	164	-61.3	-156.1	-8.3	111.5	E326 N379 S383 D384 R387	E326-R381 IonicContact OE1-NH2 2.7Å; E326-R381 PolarHBondContact OE1-NH2 2.98Å; N379-R381 WeakPolarHBondContact O-CG 3.31Å; N379-R381 PolarHBondContact O-N 3.29Å; R381-S383 PolarHBondContact O-N 3.14Å; R381-S383 VanDerWaalsContact O-N 3.07Å; R381-D384 WeakPolarHBondContact CB-OD2 3.43Å; R381-D384 IonicContact CZ-OD1 3Å; R381-D384 PolarHBondContact N-OD2 3.49Å; R381-D384 IonicContact NE-OD1 2.73Å; R381-D384 PolarHBondContact NE-OD1 2.93Å; R381-D384 IonicContact NE-OD2 2.73Å; R381-D384 IonicContact NH2-OD1 3.3Å; R381-D384 PolarHBondContact NH2-OD1 2.75Å; R381-D384 WeakPolarHBondContact O-CB 3.38Å; R381-D384 PolarHBondContact O-N 3.33Å; R381-R387 VanDerWaalsContact NH2-NH1 3.14Å
382	T	85.1	Confident	90.3	Very high	72 Å²	72	50.9 Å²	50.9	44%	0.442	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-29	173.3	58.9	0	0	0	0	113	G39 I41 D384	G39-T382 WeakPolarHBondContact O-CG2 3.4Å; I41-T382 HydrophobicContact CD1-CG2 4.06Å; I41-T382 HydrophobicContact CG1-CG2 3.48Å; I41-T382 VanDerWaalsContact CG1-CG2 3.48Å; T382-D384 VanDerWaalsContact C-N 3.3Å; T382-D384 PolarHBondContact O-N 2.91Å
383	S	84.7	Confident	89.7	Confident	28 Å²	28	57 Å²	57	20%	0.196	27%	0.269	C	S	.	.	H	α-helix	trans	-72.7	-18.6	178.9	60.3	0	0	0	0	114.1	R381 K385 R386 R387	R381-S383 PolarHBondContact O-N 3.14Å; R381-S383 VanDerWaalsContact O-N 3.07Å; S383-K385 PolarHBondContact O-N 2.94Å; S383-R386 PolarHBondContact O-N 3.3Å; S383-R387 WeakPolarHBondContact O-CB 3.32Å; S383-R387 VanDerWaalsContact O-CG 3.26Å; S383-R387 WeakPolarHBondContact O-CG 3.35Å; S383-R387 PolarHBondContact O-N 3.28Å
384	D	86.6	Confident	89	Confident	9 Å²	9	58 Å²	58	5%	0.048	28%	0.28	C	S	.	.	H	α-helix	trans	-67.8	-42.6	-165.9	-65	-23.5	0	0	0	112	R381 T382 R386 R387 N388	R381-D384 WeakPolarHBondContact CB-OD2 3.43Å; R381-D384 IonicContact CZ-OD1 3Å; R381-D384 PolarHBondContact N-OD2 3.49Å; R381-D384 IonicContact NE-OD1 2.73Å; R381-D384 PolarHBondContact NE-OD1 2.93Å; R381-D384 IonicContact NE-OD2 2.73Å; R381-D384 IonicContact NH2-OD1 3.3Å; R381-D384 PolarHBondContact NH2-OD1 2.75Å; R381-D384 WeakPolarHBondContact O-CB 3.38Å; R381-D384 PolarHBondContact O-N 3.33Å; T382-D384 VanDerWaalsContact C-N 3.3Å; T382-D384 PolarHBondContact O-N 2.91Å; D384-R386 PolarHBondContact O-N 3.02Å; D384-R387 PolarHBondContact O-N 2.81Å; D384-R387 IonicContact OD1-NH1 3.87Å; D384-R387 PolarHBondContact OD1-NH1 3.44Å; D384-N388 VanDerWaalsContact O-CB 3.31Å; D384-N388 WeakPolarHBondContact O-CB 3.25Å; D384-N388 PolarHBondContact O-N 3.45Å
385	K	86.7	Confident	88.1	Confident	70 Å²	70	61.9 Å²	61.9	30%	0.304	30%	0.298	S	S	.	.	H	α-helix	trans	-58.1	-49.2	173.3	-170.7	164.4	-172.8	161.5	0	111.1	T71 Y92 S383 R387 N388 L389	T71-K385 PolarHBondContact O-NZ 3.41Å; T71-K385 PolarHBondContact OG1-NZ 3.22Å; Y92-K385 HydrophobicContact CD1-CB 4.26Å; Y92-K385 HydrophobicContact CD1-CG 4.06Å; Y92-K385 HydrophobicContact CD2-CB 3.83Å; Y92-K385 HydrophobicContact CD2-CD 4.29Å; Y92-K385 HydrophobicContact CD2-CG 4.06Å; Y92-K385 HydrophobicContact CE1-CD 4.28Å; Y92-K385 HydrophobicContact CE1-CG 3.85Å; Y92-K385 HydrophobicContact CE2-CB 4.11Å; Y92-K385 HydrophobicContact CE2-CD 3.68Å; Y92-K385 HydrophobicContact CE2-CG 3.86Å; Y92-K385 HydrophobicContact CG-CB 3.92Å; Y92-K385 HydrophobicContact CG-CG 4.17Å; Y92-K385 VanDerWaalsContact OH-CE 3.27Å; Y92-K385 WeakPolarHBondContact OH-CE 3.33Å; Y92-K385 PolarHBondContact OH-NZ 3.05Å; S383-K385 PolarHBondContact O-N 2.94Å; K385-R387 PolarHBondContact O-N 3.34Å; K385-N388 PolarHBondContact O-N 3.27Å; K385-L389 HydrophobicContact CG-CD1 4.17Å; K385-L389 VanDerWaalsContact O-CD1 3.22Å; K385-L389 WeakPolarHBondContact O-CD1 3.49Å; K385-L389 PolarHBondContact O-N 2.81Å
386	R	86.9	Confident	87.4	Confident	167 Å²	167	63.9 Å²	63.9	63%	0.63	32%	0.315	S	S	*	.	H	α-helix	trans	-63.1	-42.5	178.6	-174	178.8	66.8	-156.9	-0.6	112.6	S383 D384 A390	S383-R386 PolarHBondContact O-N 3.3Å; D384-R386 PolarHBondContact O-N 3.02Å; R386-A390 WeakPolarHBondContact O-CB 3.36Å; R386-A390 PolarHBondContact O-N 3.47Å
387	R	85.8	Confident	86.7	Confident	98 Å²	98	65.9 Å²	65.9	37%	0.37	33%	0.326	S	S	.	.	H	α-helix	trans	-65.6	-40.6	178.2	-74.4	170.2	71.9	-158.2	7.9	111.1	R381 S383 D384 K385 A390 K391	R381-R387 VanDerWaalsContact NH2-NH1 3.14Å; S383-R387 WeakPolarHBondContact O-CB 3.32Å; S383-R387 VanDerWaalsContact O-CG 3.26Å; S383-R387 WeakPolarHBondContact O-CG 3.35Å; S383-R387 PolarHBondContact O-N 3.28Å; D384-R387 PolarHBondContact O-N 2.81Å; D384-R387 IonicContact OD1-NH1 3.87Å; D384-R387 PolarHBondContact OD1-NH1 3.44Å; K385-R387 PolarHBondContact O-N 3.34Å; R387-A390 PolarHBondContact O-N 3.32Å; R387-K391 WeakPolarHBondContact O-CG 3.26Å; R387-K391 PolarHBondContact O-N 3.32Å
388	N	85.3	Confident	85.9	Confident	11 Å²	11	74.3 Å²	74.3	6%	0.059	36%	0.357	C	S	.	.	H	α-helix	trans	-63.5	-49.2	175.9	174.6	-109.3	0	0	0	111.6	N91 Y92 D384 K385 A390 K391 Q392	N91-N388 WeakPolarHBondContact CB-ND2 3.38Å; Y92-N388 HydrophobicContact CD1-CB 4.16Å; D384-N388 VanDerWaalsContact O-CB 3.31Å; D384-N388 WeakPolarHBondContact O-CB 3.25Å; D384-N388 PolarHBondContact O-N 3.45Å; K385-N388 PolarHBondContact O-N 3.27Å; N388-A390 VanDerWaalsContact C-N 3.31Å; N388-A390 PolarHBondContact O-N 3.02Å; N388-K391 PolarHBondContact O-N 2.94Å; N388-K391 VanDerWaalsContact O-N 3.15Å; N388-Q392 WeakPolarHBondContact O-CG 3.5Å; N388-Q392 PolarHBondContact O-N 3.24Å; N388-Q392 PolarHBondContact OD1-NE2 3.5Å
389	L	84.9	Confident	85.2	Confident	69 Å²	69	82.4 Å²	82.4	36%	0.361	39%	0.386	S	S	.	.	H	α-helix	trans	-58.9	-41.8	175.7	-93.1	72.4	0	0	0	112.1	K385 Q392 K393	K385-L389 HydrophobicContact CG-CD1 4.17Å; K385-L389 VanDerWaalsContact O-CD1 3.22Å; K385-L389 WeakPolarHBondContact O-CD1 3.49Å; K385-L389 PolarHBondContact O-N 2.81Å; L389-Q392 PolarHBondContact O-N 2.98Å; L389-K393 WeakPolarHBondContact O-CB 3.45Å; L389-K393 VanDerWaalsContact O-CG 3.31Å; L389-K393 WeakPolarHBondContact O-CG 3.26Å; L389-K393 PolarHBondContact O-N 3.48Å
390	A	85.6	Confident	84.5	Confident	56 Å²	56	86.2 Å²	86.2	46%	0.463	41%	0.406	S	S	.	.	H	α-helix	trans	-63.2	-40.8	177.1	0	0	0	0	0	112.1	R386 R387 N388 K393 A394	R386-A390 WeakPolarHBondContact O-CB 3.36Å; R386-A390 PolarHBondContact O-N 3.47Å; R387-A390 PolarHBondContact O-N 3.32Å; N388-A390 VanDerWaalsContact C-N 3.31Å; N388-A390 PolarHBondContact O-N 3.02Å; A390-K393 PolarHBondContact O-N 3.15Å; A390-A394 WeakPolarHBondContact O-CB 3.49Å; A390-A394 PolarHBondContact O-N 2.95Å
391	K	83.3	Confident	83.6	Confident	125 Å²	125	94.3 Å²	94.3	54%	0.543	44%	0.437	S	S	.	.	H	α-helix	trans	-64.5	-46.9	175.3	-76.8	-177.6	174.8	-164.8	0	112.2	R387 N388 K393 A394 E395	R387-K391 WeakPolarHBondContact O-CG 3.26Å; R387-K391 PolarHBondContact O-N 3.32Å; N388-K391 PolarHBondContact O-N 2.94Å; N388-K391 VanDerWaalsContact O-N 3.15Å; K391-K393 VanDerWaalsContact C-N 3.3Å; K391-K393 PolarHBondContact O-N 2.95Å; K391-A394 PolarHBondContact O-N 2.91Å; K391-E395 WeakPolarHBondContact O-CB 3.35Å; K391-E395 PolarHBondContact O-N 2.94Å
392	Q	83.1	Confident	82.1	Confident	79 Å²	79	92.2 Å²	92.2	37%	0.369	44%	0.438	S	S	.	.	H	α-helix	trans	-59.5	-42.3	176.7	-73.8	173.1	-11.7	0	0	111.4	N388 L389 E395 A396	N388-Q392 WeakPolarHBondContact O-CG 3.5Å; N388-Q392 PolarHBondContact O-N 3.24Å; N388-Q392 PolarHBondContact OD1-NE2 3.5Å; L389-Q392 PolarHBondContact O-N 2.98Å; Q392-E395 PolarHBondContact O-N 3.03Å; Q392-A396 VanDerWaalsContact O-CB 3.32Å; Q392-A396 WeakPolarHBondContact O-CB 3.22Å; Q392-A396 PolarHBondContact O-N 3.29Å
393	K	85.7	Confident	80.4	Confident	143 Å²	143	97 Å²	97	62%	0.622	46%	0.456	S	S	*	.	H	α-helix	trans	-62.2	-45.9	174.4	-74.7	-179.1	-180	-168.3	0	112.3	L389 A390 K391 E395 A396 Q397	L389-K393 WeakPolarHBondContact O-CB 3.45Å; L389-K393 VanDerWaalsContact O-CG 3.31Å; L389-K393 WeakPolarHBondContact O-CG 3.26Å; L389-K393 PolarHBondContact O-N 3.48Å; A390-K393 PolarHBondContact O-N 3.15Å; K391-K393 VanDerWaalsContact C-N 3.3Å; K391-K393 PolarHBondContact O-N 2.95Å; K393-E395 VanDerWaalsContact C-N 3.33Å; K393-E395 PolarHBondContact O-N 3.32Å; K393-A396 PolarHBondContact O-N 2.87Å; K393-Q397 WeakPolarHBondContact O-CB 3.38Å; K393-Q397 VanDerWaalsContact O-CG 3.32Å; K393-Q397 WeakPolarHBondContact O-CG 3.5Å; K393-Q397 PolarHBondContact O-N 3.1Å
394	A	83.5	Confident	78.7	Confident	42 Å²	42	102.7 Å²	102.7	35%	0.347	48%	0.484	S	S	.	.	H	α-helix	trans	-63.6	-39.3	178	0	0	0	0	0	111.9	A390 K391 Q397 R398	A390-A394 WeakPolarHBondContact O-CB 3.49Å; A390-A394 PolarHBondContact O-N 2.95Å; K391-A394 PolarHBondContact O-N 2.91Å; A394-Q397 PolarHBondContact O-N 2.75Å; A394-R398 WeakPolarHBondContact O-CG 3.49Å; A394-R398 PolarHBondContact O-N 3.32Å
395	E	81	Confident	77.1	Confident	81 Å²	81	107.2 Å²	107.2	38%	0.379	52%	0.516	S	S	.	.	H	α-helix	trans	-69.1	-42.9	176.9	-168.5	179.6	175.1	0	0	112	K391 Q392 K393 Q397 R398 R399	K391-E395 WeakPolarHBondContact O-CB 3.35Å; K391-E395 PolarHBondContact O-N 2.94Å; Q392-E395 PolarHBondContact O-N 3.03Å; K393-E395 VanDerWaalsContact C-N 3.33Å; K393-E395 PolarHBondContact O-N 3.32Å; E395-Q397 VanDerWaalsContact C-N 3.32Å; E395-Q397 PolarHBondContact O-N 3.07Å; E395-R398 WeakPolarHBondContact O-CB 3.43Å; E395-R398 PolarHBondContact O-N 2.88Å; E395-R398 VanDerWaalsContact O-N 3.16Å; E395-R399 WeakPolarHBondContact O-CG 3.43Å; E395-R399 PolarHBondContact O-N 2.77Å; E395-R399 IonicContact OE1-CZ 3.73Å; E395-R399 IonicContact OE1-NE 2.84Å; E395-R399 IonicContact OE1-NH2 3.66Å; E395-R399 PolarHBondContact OE1-NH2 2.78Å
396	A	82.4	Confident	75.6	Confident	45 Å²	45	107.5 Å²	107.5	37%	0.372	52%	0.52	S	S	.	.	H	α-helix	trans	-59.8	-42.6	173.2	0	0	0	0	0	111.5	Q392 K393 R398 R399 L400	Q392-A396 VanDerWaalsContact O-CB 3.32Å; Q392-A396 WeakPolarHBondContact O-CB 3.22Å; Q392-A396 PolarHBondContact O-N 3.29Å; K393-A396 PolarHBondContact O-N 2.87Å; A396-R398 PolarHBondContact O-N 3.35Å; A396-R399 PolarHBondContact O-N 2.89Å; A396-L400 WeakPolarHBondContact O-CB 3.36Å; A396-L400 VanDerWaalsContact O-CG 3.32Å; A396-L400 WeakPolarHBondContact O-CG 3.45Å; A396-L400 PolarHBondContact O-N 3.48Å
397	Q	82.8	Confident	74.1	Confident	124 Å²	124	108.5 Å²	108.5	58%	0.579	53%	0.529	S	S	*	.	H	α-helix	trans	-62.4	-40.6	173.5	-75.8	176.9	-22.3	0	0	112.2	K393 A394 E395 R399 L400 Y401	K393-Q397 WeakPolarHBondContact O-CB 3.38Å; K393-Q397 VanDerWaalsContact O-CG 3.32Å; K393-Q397 WeakPolarHBondContact O-CG 3.5Å; K393-Q397 PolarHBondContact O-N 3.1Å; A394-Q397 PolarHBondContact O-N 2.75Å; E395-Q397 VanDerWaalsContact C-N 3.32Å; E395-Q397 PolarHBondContact O-N 3.07Å; Q397-R399 VanDerWaalsContact C-N 3.34Å; Q397-L400 PolarHBondContact O-N 2.97Å; Q397-Y401 WeakPolarHBondContact O-CB 3.45Å; Q397-Y401 WeakPolarHBondContact O-CD2 3.29Å; Q397-Y401 PolarHBondContact O-N 3.35Å
398	R	79.4	Confident	72.8	Confident	184 Å²	184	113.8 Å²	113.8	69%	0.694	55%	0.549	S	S	*	.	H	α-helix	trans	-63.4	-37.9	173.2	-76.1	177.4	179.8	-171.4	-4.3	112.2	A394 E395 A396 G402	A394-R398 WeakPolarHBondContact O-CG 3.49Å; A394-R398 PolarHBondContact O-N 3.32Å; E395-R398 WeakPolarHBondContact O-CB 3.43Å; E395-R398 PolarHBondContact O-N 2.88Å; E395-R398 VanDerWaalsContact O-N 3.16Å; A396-R398 PolarHBondContact O-N 3.35Å; R398-G402 WeakPolarHBondContact O-CA 3.43Å; R398-G402 PolarHBondContact O-N 3.04Å
399	R	79.5	Confident	71.5	Confident	192 Å²	192	116.9 Å²	116.9	73%	0.725	57%	0.565	S	S	*	*	H	α-helix	trans	-68.2	-36.3	176.4	-68.5	175.5	-169.1	177.9	1.7	112.3	E395 A396 Q397	E395-R399 WeakPolarHBondContact O-CG 3.43Å; E395-R399 PolarHBondContact O-N 2.77Å; E395-R399 IonicContact OE1-CZ 3.73Å; E395-R399 IonicContact OE1-NE 2.84Å; E395-R399 IonicContact OE1-NH2 3.66Å; E395-R399 PolarHBondContact OE1-NH2 2.78Å; A396-R399 PolarHBondContact O-N 2.89Å; Q397-R399 VanDerWaalsContact C-N 3.34Å
400	L	79.1	Confident	70.4	Confident	129 Å²	129	120.2 Å²	120.2	68%	0.675	58%	0.582	S	S	*	*	H	α-helix	trans	-81	-37.3	-178.6	-69.4	169	0	0	0	113.5	A396 Q397	A396-L400 WeakPolarHBondContact O-CB 3.36Å; A396-L400 VanDerWaalsContact O-CG 3.32Å; A396-L400 WeakPolarHBondContact O-CG 3.45Å; A396-L400 PolarHBondContact O-N 3.48Å; Q397-L400 PolarHBondContact O-N 2.97Å
401	Y	74.5	Confident	68.8	Low	183 Å²	183	124 Å²	124	72%	0.718	60%	0.602	S	S	*	*	H	α-helix	trans	-124.9	-6.2	-170.5	-57	-74.2	0	0	0	114.3	Q397 Q403	Q397-Y401 WeakPolarHBondContact O-CB 3.45Å; Q397-Y401 WeakPolarHBondContact O-CD2 3.29Å; Q397-Y401 PolarHBondContact O-N 3.35Å; Y401-Q403 VanDerWaalsContact C-N 3.32Å; Y401-Q403 PolarHBondContact O-N 3.26Å
402	G	57.6	Low	67.8	Low	30 Å²	30	122 Å²	122	31%	0.309	62%	0.617	S	S	.	*	G	3₁₀ helix	trans	-83.7	14	-169.1	0	0	0	0	0	116.4	R398 N404	R398-G402 WeakPolarHBondContact O-CA 3.43Å; R398-G402 PolarHBondContact O-N 3.04Å; G402-N404 PolarHBondContact O-N 3.16Å; G402-N404 VanDerWaalsContact O-N 3.1Å
403	Q	50.4	Low	67.2	Low	173 Å²	173	119.1 Å²	119.1	81%	0.808	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-65.5	-4.1	169	-87.4	178.2	-18.1	0	0	113.6	Y401	Y401-Q403 VanDerWaalsContact C-N 3.32Å; Y401-Q403 PolarHBondContact O-N 3.26Å
404	N	49.6	Very low	66.7	Low	147 Å²	147	115 Å²	115	79%	0.786	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-112.2	3.5	-173.5	-75.7	-11.3	0	0	0	116.8	G402	G402-N404 PolarHBondContact O-N 3.16Å; G402-N404 VanDerWaalsContact O-N 3.1Å
405	S	52.9	Low	66.3	Low	103 Å²	103	118.9 Å²	118.9	72%	0.72	61%	0.61	S	S	*	*	S	Bend	trans	-86.3	-20.6	-175	59.8	0	0	0	0	115.1
406	I	53.9	Low	66.1	Low	76 Å²	76	119.9 Å²	119.9	39%	0.39	61%	0.611	S	S	.	*	S	Bend	trans	-133.6	105.6	170.2	-61	178.3	0	0	0	106	R408 H421	I406-R408 PolarHBondContact O-N 3.14Å; I406-H421 WeakPolarHBondContact CG2-CE1 3.25Å; I406-H421 WeakPolarHBondContact CG2-NE2 3.48Å
407	K	56.1	Low	65.7	Low	188 Å²	188	122 Å²	122	82%	0.817	61%	0.612	S	S	*	*			trans	-55	115.4	174.4	-79.5	-177.1	176.7	-178.5	0	107.6	L409 H421	K407-L409 PolarHBondContact O-N 3.46Å; K407-L409 VanDerWaalsContact O-N 3.15Å; K407-H421 PolarHBondContact O-NE2 2.99Å
408	R	57.3	Low	65.5	Low	210 Å²	210	119.8 Å²	119.8	79%	0.792	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-53.6	124.5	169.4	-89.9	-177.8	-140.4	-176.8	4.5	107.5	I406 L410	I406-R408 PolarHBondContact O-N 3.14Å; R408-L410 PolarHBondContact O-N 3.28Å
409	L	58	Low	65.4	Low	76 Å²	76	116.2 Å²	116.2	40%	0.398	59%	0.594	S	S	.	*	P	Polyproline II helix	trans	-51.9	125	171.7	-76.9	153.9	0	0	0	108.3	K407 S413 E417 Q418 H421	K407-L409 PolarHBondContact O-N 3.46Å; K407-L409 VanDerWaalsContact O-N 3.15Å; L409-S413 VanDerWaalsContact CD2-CB 3.48Å; L409-S413 WeakPolarHBondContact CD2-OG 3.27Å; L409-E417 HydrophobicContact CD2-CB 4.27Å; L409-Q418 HydrophobicContact CD2-CG 4.18Å; L409-H421 HydrophobicContact CD1-CB 4.11Å; L409-H421 HydrophobicContact CD2-CB 4.45Å; L409-H421 HydrophobicContact CG-CB 4.44Å
410	L	62.8	Low	65.4	Low	138 Å²	138	111.5 Å²	111.5	72%	0.723	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-73.3	147.9	174.6	-72.5	163.8	0	0	0	108.7	R408 G412 S413	R408-L410 PolarHBondContact O-N 3.28Å; L410-G412 PolarHBondContact O-N 3.16Å; L410-S413 PolarHBondContact N-OG 3.26Å; L410-S413 PolarHBondContact O-N 3.28Å; L410-S413 VanDerWaalsContact O-N 3.11Å; L410-S413 PolarHBondContact O-OG 3.3Å
411	P	52.7	Low	65.4	Low	135 Å²	135	107.9 Å²	107.9	88%	0.877	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.6	116.3	170.6	-16.4	29	0	0	0	108.8
412	G	61.6	Low	65.8	Low	83 Å²	83	105.5 Å²	105.5	86%	0.856	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	107.5	8.4	-174.1	0	0	0	0	0	116.3	L410	L410-G412 PolarHBondContact O-N 3.16Å
413	S	70.3	Confident	66.9	Low	19 Å²	19	104.8 Å²	104.8	13%	0.133	54%	0.54	C	S	.	.			trans	-61.1	137.8	175.5	-53.9	0	0	0	0	111.7	L409 L410 E417 Q418	L409-S413 VanDerWaalsContact CD2-CB 3.48Å; L409-S413 WeakPolarHBondContact CD2-OG 3.27Å; L410-S413 PolarHBondContact N-OG 3.26Å; L410-S413 PolarHBondContact O-N 3.28Å; L410-S413 VanDerWaalsContact O-N 3.11Å; L410-S413 PolarHBondContact O-OG 3.3Å; S413-E417 WeakPolarHBondContact CA-OE2 3.35Å; S413-Q418 PolarHBondContact O-NE2 2.93Å
414	S	75.1	Confident	68.4	Low	57 Å²	57	100.8 Å²	100.8	40%	0.399	52%	0.521	S	S	.	.			trans	-63.5	152.8	179.6	61.3	0	0	0	0	112.4	W416 E417 Q418	S414-W416 PolarHBondContact O-N 3.19Å; S414-W416 VanDerWaalsContact O-N 3.12Å; S414-E417 PolarHBondContact N-OE2 3.41Å; S414-E417 WeakPolarHBondContact O-CB 3.31Å; S414-E417 PolarHBondContact O-N 2.94Å; S414-E417 VanDerWaalsContact OG-CG 3.3Å; S414-E417 WeakPolarHBondContact OG-CG 3.43Å; S414-E417 PolarHBondContact OG-N 3.12Å; S414-E417 PolarHBondContact OG-OE2 3.25Å; S414-E417 VanDerWaalsContact OG-OE2 3.07Å; S414-Q418 PolarHBondContact O-N 2.92Å
415	D	75.2	Confident	69.9	Low	124 Å²	124	100.8 Å²	100.8	66%	0.663	51%	0.51	S	S	*	.	H	α-helix	trans	-53.8	-34.8	178.5	-75.9	-8	0	0	0	112.5	Q418 Q419	D415-Q418 PolarHBondContact O-N 2.82Å; D415-Q419 WeakPolarHBondContact O-CG 3.45Å; D415-Q419 PolarHBondContact O-N 3.29Å
416	W	76.2	Confident	71.3	Confident	102 Å²	102	101.6 Å²	101.6	39%	0.386	50%	0.497	S	S	.	.	H	α-helix	trans	-65.2	-43.3	174.9	173.4	90.4	0	0	0	112.6	S414 Q418 Q419 R420 L518 M519	S414-W416 PolarHBondContact O-N 3.19Å; S414-W416 VanDerWaalsContact O-N 3.12Å; W416-Q418 VanDerWaalsContact C-N 3.3Å; W416-Q418 PolarHBondContact O-N 2.8Å; W416-Q419 PolarHBondContact O-N 3.41Å; W416-R420 WeakPolarHBondContact O-CB 3.34Å; W416-R420 PolarHBondContact O-N 2.98Å; W416-L518 HydrophobicContact CG-CD2 4.48Å; W416-L518 PolarHBondContact NE1-O 3.45Å; W416-M519 HydrophobicContact CZ2-SD 4.21Å
417	E	75.3	Confident	72.6	Confident	88 Å²	88	98.8 Å²	98.8	41%	0.411	48%	0.482	S	S	.	.	H	α-helix	trans	-64.2	-37.9	176.4	-73.7	168.5	146.2	0	0	111.2	L409 S413 S414 H421	L409-E417 HydrophobicContact CD2-CB 4.27Å; S413-E417 WeakPolarHBondContact CA-OE2 3.35Å; S414-E417 PolarHBondContact N-OE2 3.41Å; S414-E417 WeakPolarHBondContact O-CB 3.31Å; S414-E417 PolarHBondContact O-N 2.94Å; S414-E417 VanDerWaalsContact OG-CG 3.3Å; S414-E417 WeakPolarHBondContact OG-CG 3.43Å; S414-E417 PolarHBondContact OG-N 3.12Å; S414-E417 PolarHBondContact OG-OE2 3.25Å; S414-E417 VanDerWaalsContact OG-OE2 3.07Å; E417-H421 VanDerWaalsContact O-CB 3.23Å; E417-H421 WeakPolarHBondContact O-CB 3.4Å; E417-H421 PolarHBondContact O-N 2.74Å
418	Q	77.4	Confident	73.8	Confident	78 Å²	78	94.9 Å²	94.9	36%	0.364	47%	0.467	S	S	.	.	H	α-helix	trans	-66.1	-47.1	176.8	-63.8	-179.2	22.7	0	0	111.6	L409 S413 S414 D415 W416 H421 Q422	L409-Q418 HydrophobicContact CD2-CG 4.18Å; S413-Q418 PolarHBondContact O-NE2 2.93Å; S414-Q418 PolarHBondContact O-N 2.92Å; D415-Q418 PolarHBondContact O-N 2.82Å; W416-Q418 VanDerWaalsContact C-N 3.3Å; W416-Q418 PolarHBondContact O-N 2.8Å; Q418-H421 PolarHBondContact O-N 3.01Å; Q418-Q422 WeakPolarHBondContact O-CG 3.4Å; Q418-Q422 PolarHBondContact O-N 2.75Å
419	Q	78.6	Confident	75	Confident	110 Å²	110	89.1 Å²	89.1	51%	0.514	45%	0.449	S	S	.	.	H	α-helix	trans	-62.7	-43.8	177.5	-76.1	-179.3	-9.1	0	0	111.9	D415 W416 H421 Q422 L423 L518	D415-Q419 WeakPolarHBondContact O-CG 3.45Å; D415-Q419 PolarHBondContact O-N 3.29Å; W416-Q419 PolarHBondContact O-N 3.41Å; Q419-H421 PolarHBondContact O-N 2.77Å; Q419-Q422 PolarHBondContact O-N 2.66Å; Q419-L423 WeakPolarHBondContact O-CB 3.27Å; Q419-L423 PolarHBondContact O-N 3.29Å; Q419-L518 HydrophobicContact CB-CD1 4.4Å; Q419-L518 HydrophobicContact CB-CD2 3.89Å
420	R	79.3	Confident	76.1	Confident	93 Å²	93	86 Å²	86	35%	0.351	43%	0.433	S	S	.	.	H	α-helix	trans	-63.9	-41.8	177.1	-173.5	175.4	178.8	-176.1	-0.5	112.3	W416 L423 E424	W416-R420 WeakPolarHBondContact O-CB 3.34Å; W416-R420 PolarHBondContact O-N 2.98Å; R420-L423 PolarHBondContact O-N 3.34Å; R420-E424 PolarHBondContact O-N 3.49Å
421	H	78.7	Confident	77.1	Confident	52 Å²	52	85.5 Å²	85.5	24%	0.241	43%	0.425	C	S	.	.	H	α-helix	trans	-65.6	-38.2	176.8	-174.7	-55.9	0	0	0	112.1	I406 K407 L409 E417 Q418 Q419 L423 R425	I406-H421 WeakPolarHBondContact CG2-CE1 3.25Å; I406-H421 WeakPolarHBondContact CG2-NE2 3.48Å; K407-H421 PolarHBondContact O-NE2 2.99Å; L409-H421 HydrophobicContact CD1-CB 4.11Å; L409-H421 HydrophobicContact CD2-CB 4.45Å; L409-H421 HydrophobicContact CG-CB 4.44Å; E417-H421 VanDerWaalsContact O-CB 3.23Å; E417-H421 WeakPolarHBondContact O-CB 3.4Å; E417-H421 PolarHBondContact O-N 2.74Å; Q418-H421 PolarHBondContact O-N 3.01Å; Q419-H421 PolarHBondContact O-N 2.77Å; H421-L423 VanDerWaalsContact C-N 3.34Å; H421-R425 WeakPolarHBondContact O-CB 3.39Å; H421-R425 PolarHBondContact O-N 3.46Å; H421-R425 VanDerWaalsContact O-N 3.13Å
422	Q	82.4	Confident	78.5	Confident	133 Å²	133	84.5 Å²	84.5	62%	0.621	41%	0.408	S	S	*	.	H	α-helix	trans	-64.3	-40.7	173.4	-73.3	177.2	16.3	0	0	111.6	Q418 Q419 R425 R426	Q418-Q422 WeakPolarHBondContact O-CG 3.4Å; Q418-Q422 PolarHBondContact O-N 2.75Å; Q419-Q422 PolarHBondContact O-N 2.66Å; Q422-R425 PolarHBondContact O-N 3.34Å; Q422-R426 WeakPolarHBondContact O-CB 3.45Å; Q422-R426 PolarHBondContact O-N 3.46Å
423	L	82.2	Confident	79.5	Confident	16 Å²	16	82.7 Å²	82.7	8%	0.084	38%	0.376	C	S	.	.	H	α-helix	trans	-66.8	-44.3	179.4	-167.9	65.6	0	0	0	112.6	Q419 R420 H421 R426 K427 C511 D514 D515 L518	Q419-L423 WeakPolarHBondContact O-CB 3.27Å; Q419-L423 PolarHBondContact O-N 3.29Å; R420-L423 PolarHBondContact O-N 3.34Å; H421-L423 VanDerWaalsContact C-N 3.34Å; L423-R426 PolarHBondContact O-N 3.46Å; L423-K427 WeakPolarHBondContact O-CG 3.39Å; L423-K427 PolarHBondContact O-N 3.46Å; L423-C511 HydrophobicContact CD1-CB 3.82Å; L423-D514 HydrophobicContact CD1-CB 4.21Å; L423-D514 HydrophobicContact CD2-CB 4.26Å; L423-D515 VanDerWaalsContact CD2-CA 3.5Å; L423-D515 HydrophobicContact CD2-CB 3.54Å; L423-L518 HydrophobicContact CD2-CD1 3.81Å
424	E	80.8	Confident	80.1	Confident	88 Å²	88	82.6 Å²	82.6	41%	0.411	37%	0.373	S	S	.	.	H	α-helix	trans	-61.3	-44.3	175.4	-79.3	-64.2	167.1	0	0	111.8	R420 R426 K427 E428	R420-E424 PolarHBondContact O-N 3.49Å; E424-R426 VanDerWaalsContact C-N 3.34Å; E424-R426 PolarHBondContact O-N 3.26Å; E424-K427 PolarHBondContact O-N 3.32Å; E424-E428 PolarHBondContact O-N 2.97Å
425	R	81.1	Confident	80.5	Confident	148 Å²	148	82.9 Å²	82.9	56%	0.558	38%	0.379	S	S	*	.	H	α-helix	trans	-60	-44.7	175.1	-175.9	-176.5	144.3	-169.8	-9.9	111.4	H421 Q422 E428 E429	H421-R425 WeakPolarHBondContact O-CB 3.39Å; H421-R425 PolarHBondContact O-N 3.46Å; H421-R425 VanDerWaalsContact O-N 3.13Å; Q422-R425 PolarHBondContact O-N 3.34Å; R425-E428 PolarHBondContact O-N 3.27Å; R425-E429 IonicContact CZ-OE1 2.84Å; R425-E429 IonicContact NE-OE1 3.19Å; R425-E429 PolarHBondContact NE-OE1 2.85Å; R425-E429 IonicContact NH2-OE1 3.51Å; R425-E429 PolarHBondContact NH2-OE1 2.98Å; R425-E429 WeakPolarHBondContact O-CG 3.38Å; R425-E429 PolarHBondContact O-N 3.5Å
426	R	81.7	Confident	80.8	Confident	120 Å²	120	79.4 Å²	79.4	45%	0.453	36%	0.359	S	S	.	.	H	α-helix	trans	-63	-41.3	176.8	-172.4	175.8	-179.5	176.2	-1.4	112.1	Q422 L423 E424 E429 L430	Q422-R426 WeakPolarHBondContact O-CB 3.45Å; Q422-R426 PolarHBondContact O-N 3.46Å; L423-R426 PolarHBondContact O-N 3.46Å; E424-R426 VanDerWaalsContact C-N 3.34Å; E424-R426 PolarHBondContact O-N 3.26Å; R426-E429 PolarHBondContact O-N 3.33Å; R426-L430 HydrophobicContact CG-CD1 4.14Å; R426-L430 WeakPolarHBondContact O-CB 3.26Å; R426-L430 VanDerWaalsContact O-CG 3.28Å; R426-L430 WeakPolarHBondContact O-CG 3.29Å; R426-L430 PolarHBondContact O-N 2.82Å
427	K	81.9	Confident	81.2	Confident	17 Å²	17	75.2 Å²	75.2	7%	0.074	35%	0.345	C	S	.	.	H	α-helix	trans	-60.9	-43	174.4	-76.4	179.1	-179.3	177.9	0	111.6	L423 E424 K431 C511 D515	L423-K427 WeakPolarHBondContact O-CG 3.39Å; L423-K427 PolarHBondContact O-N 3.46Å; E424-K427 PolarHBondContact O-N 3.32Å; K427-K431 WeakPolarHBondContact O-CB 3.35Å; K427-K431 VanDerWaalsContact O-CG 3.3Å; K427-K431 WeakPolarHBondContact O-CG 3.44Å; K427-K431 PolarHBondContact O-N 2.77Å; K427-C511 HydrophobicContact CD-CB 4.32Å; K427-C511 VanDerWaalsContact CE-C 3.45Å; K427-C511 WeakPolarHBondContact CE-O 3.36Å; K427-C511 HydrophobicContact CG-CB 3.6Å; K427-D515 VanDerWaalsContact NZ-CG 3.28Å; K427-D515 IonicContact NZ-OD2 3.65Å; K427-D515 PolarHBondContact NZ-OD2 2.94Å
428	E	81.5	Confident	81.6	Confident	105 Å²	105	75.9 Å²	75.9	49%	0.491	34%	0.343	S	S	.	.	H	α-helix	trans	-66.4	-45	178.6	-167.8	165.9	-152.5	0	0	111.8	E424 R425 L430 K431 E432	E424-E428 PolarHBondContact O-N 2.97Å; R425-E428 PolarHBondContact O-N 3.27Å; E428-L430 PolarHBondContact O-N 3.47Å; E428-K431 PolarHBondContact O-N 3.12Å; E428-E432 PolarHBondContact O-N 2.95Å
429	E	81.6	Confident	81.9	Confident	89 Å²	89	75 Å²	75	42%	0.416	34%	0.338	S	S	.	.	H	α-helix	trans	-57.9	-44.8	174.4	-73.1	173.6	-173.5	0	0	111.8	R425 R426 E432 R433	R425-E429 IonicContact CZ-OE1 2.84Å; R425-E429 IonicContact NE-OE1 3.19Å; R425-E429 PolarHBondContact NE-OE1 2.85Å; R425-E429 IonicContact NH2-OE1 3.51Å; R425-E429 PolarHBondContact NH2-OE1 2.98Å; R425-E429 WeakPolarHBondContact O-CG 3.38Å; R425-E429 PolarHBondContact O-N 3.5Å; R426-E429 PolarHBondContact O-N 3.33Å; E429-E432 PolarHBondContact O-N 3.21Å; E429-R433 WeakPolarHBondContact O-CB 3.34Å; E429-R433 PolarHBondContact O-N 2.83Å
430	L	81.9	Confident	82.2	Confident	11 Å²	11	74 Å²	74	6%	0.058	33%	0.333	C	S	.	.	H	α-helix	trans	-67.8	-38.4	177.6	-72.4	170.3	0	0	0	112.7	R426 E428 R433 L434 I504 L507 L508	R426-L430 HydrophobicContact CG-CD1 4.14Å; R426-L430 WeakPolarHBondContact O-CB 3.26Å; R426-L430 VanDerWaalsContact O-CG 3.28Å; R426-L430 WeakPolarHBondContact O-CG 3.29Å; R426-L430 PolarHBondContact O-N 2.82Å; E428-L430 PolarHBondContact O-N 3.47Å; L430-R433 WeakPolarHBondContact O-CB 3.38Å; L430-R433 PolarHBondContact O-N 2.9Å; L430-L434 WeakPolarHBondContact O-CB 3.21Å; L430-L434 PolarHBondContact O-N 3Å; L430-I504 HydrophobicContact CB-CG2 4.31Å; L430-I504 HydrophobicContact CD2-CG2 4.14Å; L430-I504 WeakPolarHBondContact O-CG2 3.31Å; L430-L507 HydrophobicContact CD1-CB 3.79Å; L430-L507 HydrophobicContact CD2-CB 4.08Å; L430-L507 HydrophobicContact CD2-CD1 3.99Å; L430-L508 HydrophobicContact CB-CD1 4.37Å; L430-L508 HydrophobicContact CB-CD2 3.46Å; L430-L508 VanDerWaalsContact CB-CD2 3.46Å; L430-L508 HydrophobicContact CB-CG 3.73Å; L430-L508 HydrophobicContact CD1-CD2 4.03Å; L430-L508 HydrophobicContact CD1-CG 4.15Å; L430-L508 HydrophobicContact CG-CD2 4.41Å
431	K	83.3	Confident	82.5	Confident	128 Å²	128	72.4 Å²	72.4	56%	0.557	33%	0.331	S	S	*	.	H	α-helix	trans	-64.4	-43	175.1	-78.6	173.1	-177.2	171.7	0	111.8	K427 E428 R433 L434 A435 L508	K427-K431 WeakPolarHBondContact O-CB 3.35Å; K427-K431 VanDerWaalsContact O-CG 3.3Å; K427-K431 WeakPolarHBondContact O-CG 3.44Å; K427-K431 PolarHBondContact O-N 2.77Å; E428-K431 PolarHBondContact O-N 3.12Å; K431-R433 VanDerWaalsContact C-N 3.31Å; K431-L434 PolarHBondContact O-N 3.01Å; K431-A435 PolarHBondContact O-N 2.81Å; K431-L508 HydrophobicContact CG-CD2 4.13Å
432	E	82.1	Confident	83	Confident	113 Å²	113	73 Å²	73	53%	0.528	34%	0.342	S	S	.	.	H	α-helix	trans	-61.4	-44.5	174.7	-176.9	172.7	-169.4	0	0	110.6	E428 E429 L434 A435 Q436	E428-E432 PolarHBondContact O-N 2.95Å; E429-E432 PolarHBondContact O-N 3.21Å; E432-L434 PolarHBondContact O-N 3.15Å; E432-A435 PolarHBondContact O-N 2.94Å; E432-Q436 WeakPolarHBondContact O-CG 3.28Å; E432-Q436 PolarHBondContact O-N 2.7Å
433	R	82.2	Confident	83.2	Confident	46 Å²	46	69.9 Å²	69.9	17%	0.174	32%	0.324	C	S	.	.	H	α-helix	trans	-59.9	-45.8	176.7	-174.6	69.8	-168.5	-173.9	7.7	112.6	E429 L430 K431 A435 Q436 V437 L496 K497 I504	E429-R433 WeakPolarHBondContact O-CB 3.34Å; E429-R433 PolarHBondContact O-N 2.83Å; L430-R433 WeakPolarHBondContact O-CB 3.38Å; L430-R433 PolarHBondContact O-N 2.9Å; K431-R433 VanDerWaalsContact C-N 3.31Å; R433-A435 VanDerWaalsContact C-N 3.32Å; R433-A435 PolarHBondContact O-N 3.3Å; R433-Q436 WeakPolarHBondContact O-CB 3.35Å; R433-Q436 PolarHBondContact O-N 3.05Å; R433-Q436 VanDerWaalsContact O-N 3.16Å; R433-V437 WeakPolarHBondContact O-CG2 3.38Å; R433-V437 PolarHBondContact O-N 3.4Å; R433-L496 PolarHBondContact NE-O 3.18Å; R433-L496 PolarHBondContact NH1-O 2.87Å; R433-L496 PolarHBondContact NH2-O 3.23Å; R433-K497 VanDerWaalsContact NH2-CA 3.26Å; R433-K497 PolarHBondContact NH2-O 3.41Å; R433-I504 HydrophobicContact CB-CD1 4.44Å; R433-I504 HydrophobicContact CG-CD1 3.54Å; R433-I504 HydrophobicContact CG-CG1 4.14Å
434	L	83.2	Confident	83.5	Confident	17 Å²	17	72 Å²	72	9%	0.089	33%	0.333	C	S	.	.	H	α-helix	trans	-59.5	-43.3	176.5	-179	62.6	0	0	0	111.5	L430 K431 E432 Q436 V437 R438 E501 I504 L505 L508	L430-L434 WeakPolarHBondContact O-CB 3.21Å; L430-L434 PolarHBondContact O-N 3Å; K431-L434 PolarHBondContact O-N 3.01Å; E432-L434 PolarHBondContact O-N 3.15Å; L434-Q436 VanDerWaalsContact C-N 3.31Å; L434-Q436 PolarHBondContact O-N 3.39Å; L434-V437 PolarHBondContact O-N 3.37Å; L434-R438 HydrophobicContact CD1-CG 4.43Å; L434-R438 WeakPolarHBondContact O-CG 3.31Å; L434-R438 PolarHBondContact O-N 3.3Å; L434-E501 HydrophobicContact CD1-CB 4.49Å; L434-E501 HydrophobicContact CD1-CG 3.72Å; L434-I504 HydrophobicContact CB-CG2 3.92Å; L434-L505 HydrophobicContact CD1-CD2 4.21Å; L434-L505 HydrophobicContact CD1-CG 4.26Å; L434-L505 HydrophobicContact CD2-CD2 3.72Å; L434-L508 HydrophobicContact CD2-CD1 4.1Å
435	A	83.6	Confident	83.9	Confident	62 Å²	62	72.4 Å²	72.4	51%	0.512	34%	0.336	S	S	.	.	H	α-helix	trans	-63.1	-37.2	176.6	0	0	0	0	0	112.3	K431 E432 R433 K439	K431-A435 PolarHBondContact O-N 2.81Å; E432-A435 PolarHBondContact O-N 2.94Å; R433-A435 VanDerWaalsContact C-N 3.32Å; R433-A435 PolarHBondContact O-N 3.3Å; A435-K439 WeakPolarHBondContact O-CB 3.21Å; A435-K439 PolarHBondContact O-N 3.16Å; A435-K439 VanDerWaalsContact O-N 3.15Å
436	Q	82.4	Confident	84.4	Confident	52 Å²	52	66.6 Å²	66.6	24%	0.243	31%	0.314	C	S	.	.	H	α-helix	trans	-64.9	-47.4	174	-69.6	173	3.1	0	0	111.6	E432 R433 L434 K439 Q440	E432-Q436 WeakPolarHBondContact O-CG 3.28Å; E432-Q436 PolarHBondContact O-N 2.7Å; R433-Q436 WeakPolarHBondContact O-CB 3.35Å; R433-Q436 PolarHBondContact O-N 3.05Å; R433-Q436 VanDerWaalsContact O-N 3.16Å; L434-Q436 VanDerWaalsContact C-N 3.31Å; L434-Q436 PolarHBondContact O-N 3.39Å; Q436-K439 WeakPolarHBondContact O-CB 3.42Å; Q436-K439 PolarHBondContact O-N 3Å; Q436-Q440 PolarHBondContact O-N 3.3Å
437	V	83.4	Confident	85	Confident	14 Å²	14	61 Å²	61	9%	0.085	29%	0.294	C	S	.	.	H	α-helix	trans	-62.4	-47.3	179.6	171.8	0	0	0	0	111.3	R433 L434 K439 Q440 I441 E501 I504	R433-V437 WeakPolarHBondContact O-CG2 3.38Å; R433-V437 PolarHBondContact O-N 3.4Å; L434-V437 PolarHBondContact O-N 3.37Å; V437-K439 VanDerWaalsContact C-N 3.29Å; V437-K439 PolarHBondContact O-N 3.44Å; V437-Q440 WeakPolarHBondContact O-CA 3.39Å; V437-Q440 WeakPolarHBondContact O-CB 3.42Å; V437-Q440 PolarHBondContact O-N 3Å; V437-I441 HydrophobicContact CG1-CD1 3.87Å; V437-I441 HydrophobicContact CG1-CG1 4.39Å; V437-I441 WeakPolarHBondContact O-CG1 3.21Å; V437-I441 PolarHBondContact O-N 2.73Å; V437-E501 HydrophobicContact CG1-CB 4.01Å; V437-I504 HydrophobicContact CB-CD1 4.43Å; V437-I504 HydrophobicContact CG2-CD1 3.7Å
438	R	85.4	Confident	85.4	Confident	101 Å²	101	63.9 Å²	63.9	38%	0.381	31%	0.31	S	S	.	.	H	α-helix	trans	-59.6	-39.7	176.5	-74.9	179.9	171.9	172	1.4	113	L434 Q440 I441 S442 E501	L434-R438 HydrophobicContact CD1-CG 4.43Å; L434-R438 WeakPolarHBondContact O-CG 3.31Å; L434-R438 PolarHBondContact O-N 3.3Å; R438-Q440 VanDerWaalsContact C-N 3.31Å; R438-I441 PolarHBondContact O-N 3.01Å; R438-S442 WeakPolarHBondContact O-CB 3.44Å; R438-S442 PolarHBondContact O-N 3.04Å; R438-E501 IonicContact CZ-OE1 2.66Å; R438-E501 VanDerWaalsContact CZ-OE1 3.29Å; R438-E501 IonicContact NE-OE1 2.83Å; R438-E501 PolarHBondContact NE-OE1 2.93Å; R438-E501 IonicContact NH2-OE1 2.74Å; R438-E501 PolarHBondContact NH2-OE1 3.18Å
439	K	83.7	Confident	85.9	Confident	60 Å²	60	67.2 Å²	67.2	26%	0.261	32%	0.318	S	S	.	.	H	α-helix	trans	-64.3	-38.6	175	-175.3	-170.9	170.7	-155.5	0	111.1	G324 E326 A435 Q436 V437 R443	G324-K439 PolarHBondContact O-NZ 2.73Å; E326-K439 VanDerWaalsContact OE1-CE 3.26Å; E326-K439 WeakPolarHBondContact OE1-CE 3.34Å; E326-K439 IonicContact OE1-NZ 3.18Å; A435-K439 WeakPolarHBondContact O-CB 3.21Å; A435-K439 PolarHBondContact O-N 3.16Å; A435-K439 VanDerWaalsContact O-N 3.15Å; Q436-K439 WeakPolarHBondContact O-CB 3.42Å; Q436-K439 PolarHBondContact O-N 3Å; V437-K439 VanDerWaalsContact C-N 3.29Å; V437-K439 PolarHBondContact O-N 3.44Å; K439-R443 WeakPolarHBondContact O-CB 3.43Å; K439-R443 PolarHBondContact O-N 3.27Å; K439-R443 VanDerWaalsContact O-N 3.11Å
440	Q	84.1	Confident	86.5	Confident	89 Å²	89	66.4 Å²	66.4	42%	0.416	31%	0.314	S	S	.	.	H	α-helix	trans	-65.6	-47.4	175.8	-179.3	174.6	-7.2	0	0	111.7	Q436 V437 R438 S442 R443 E444	Q436-Q440 PolarHBondContact O-N 3.3Å; V437-Q440 WeakPolarHBondContact O-CA 3.39Å; V437-Q440 WeakPolarHBondContact O-CB 3.42Å; V437-Q440 PolarHBondContact O-N 3Å; R438-Q440 VanDerWaalsContact C-N 3.31Å; Q440-S442 PolarHBondContact O-N 3.18Å; Q440-R443 WeakPolarHBondContact O-CB 3.45Å; Q440-R443 PolarHBondContact O-N 2.95Å; Q440-R443 VanDerWaalsContact O-N 3.12Å; Q440-E444 VanDerWaalsContact CG-OE1 3.29Å; Q440-E444 WeakPolarHBondContact CG-OE1 3.09Å; Q440-E444 PolarHBondContact NE2-OE1 3.41Å; Q440-E444 WeakPolarHBondContact O-CG 3.2Å; Q440-E444 PolarHBondContact O-N 3.43Å
441	I	86	Confident	86.9	Confident	59 Å²	59	67.3 Å²	67.3	30%	0.303	32%	0.318	S	S	.	.	H	α-helix	trans	-57.3	-51.5	176.6	-67	167.5	0	0	0	110.5	V437 R438 R443 E444 E445 E501	V437-I441 HydrophobicContact CG1-CD1 3.87Å; V437-I441 HydrophobicContact CG1-CG1 4.39Å; V437-I441 WeakPolarHBondContact O-CG1 3.21Å; V437-I441 PolarHBondContact O-N 2.73Å; R438-I441 PolarHBondContact O-N 3.01Å; I441-R443 PolarHBondContact O-N 3.06Å; I441-E444 PolarHBondContact O-N 3.25Å; I441-E444 VanDerWaalsContact O-N 3.08Å; I441-E445 HydrophobicContact CG2-CG 4.4Å; I441-E445 WeakPolarHBondContact O-CG 3.29Å; I441-E445 PolarHBondContact O-N 2.86Å; I441-E501 HydrophobicContact CD1-CB 4.47Å; I441-E501 WeakPolarHBondContact CD1-OE2 3.42Å
442	S	88.1	Confident	87.4	Confident	66 Å²	66	63.4 Å²	63.4	46%	0.462	31%	0.314	S	S	.	.	H	α-helix	trans	-58.4	-34.3	178.4	178.7	0	0	0	0	112.7	R438 Q440 H446	R438-S442 WeakPolarHBondContact O-CB 3.44Å; R438-S442 PolarHBondContact O-N 3.04Å; Q440-S442 PolarHBondContact O-N 3.18Å; S442-H446 PolarHBondContact O-N 3.33Å; S442-H446 VanDerWaalsContact O-N 3.14Å
443	R	86.6	Confident	88.1	Confident	66 Å²	66	60.5 Å²	60.5	25%	0.249	30%	0.303	C	S	.	.	H	α-helix	trans	-70.5	-45.5	175.2	178.6	179.1	175	173.7	6.8	111.5	K439 Q440 I441 E445 H446 E447	K439-R443 WeakPolarHBondContact O-CB 3.43Å; K439-R443 PolarHBondContact O-N 3.27Å; K439-R443 VanDerWaalsContact O-N 3.11Å; Q440-R443 WeakPolarHBondContact O-CB 3.45Å; Q440-R443 PolarHBondContact O-N 2.95Å; Q440-R443 VanDerWaalsContact O-N 3.12Å; I441-R443 PolarHBondContact O-N 3.06Å; R443-E445 VanDerWaalsContact C-N 3.34Å; R443-H446 WeakPolarHBondContact O-CB 3.42Å; R443-H446 PolarHBondContact O-N 3.48Å; R443-E447 HydrophobicContact CG-CG 4.44Å; R443-E447 WeakPolarHBondContact CG-OE1 3.49Å; R443-E447 IonicContact CZ-OE1 3.29Å; R443-E447 IonicContact NE-OE1 2.75Å; R443-E447 PolarHBondContact NE-OE1 2.7Å; R443-E447 IonicContact NH2-OE1 2.91Å; R443-E447 WeakPolarHBondContact O-CG 3.32Å; R443-E447 PolarHBondContact O-N 3.17Å
444	E	88.4	Confident	88.9	Confident	60 Å²	60	58.3 Å²	58.3	28%	0.28	29%	0.294	S	S	.	.	H	α-helix	trans	-63.2	-40.1	178.1	-74	172.6	-166.6	0	0	111.6	Q440 I441 H446 E447 N448	Q440-E444 VanDerWaalsContact CG-OE1 3.29Å; Q440-E444 WeakPolarHBondContact CG-OE1 3.09Å; Q440-E444 PolarHBondContact NE2-OE1 3.41Å; Q440-E444 WeakPolarHBondContact O-CG 3.2Å; Q440-E444 PolarHBondContact O-N 3.43Å; I441-E444 PolarHBondContact O-N 3.25Å; I441-E444 VanDerWaalsContact O-N 3.08Å; E444-H446 VanDerWaalsContact C-N 3.32Å; E444-H446 PolarHBondContact O-N 2.97Å; E444-E447 PolarHBondContact O-N 3.18Å; E444-N448 WeakPolarHBondContact O-CB 3.38Å; E444-N448 PolarHBondContact O-N 3.32Å; E444-N448 PolarHBondContact O-ND2 2.95Å; E444-N448 PolarHBondContact O-OD1 3.43Å
445	E	90.3	Very high	89.6	Confident	98 Å²	98	63.1 Å²	63.1	46%	0.458	31%	0.311	S	S	.	.	H	α-helix	trans	-61.9	-37.7	172	-72.2	176.4	171.4	0	0	112.9	I441 R443 R449	I441-E445 HydrophobicContact CG2-CG 4.4Å; I441-E445 WeakPolarHBondContact O-CG 3.29Å; I441-E445 PolarHBondContact O-N 2.86Å; R443-E445 VanDerWaalsContact C-N 3.34Å; E445-R449 WeakPolarHBondContact O-CB 3.4Å; E445-R449 WeakPolarHBondContact O-CG 3.16Å; E445-R449 PolarHBondContact O-N 3.04Å; E445-R449 PolarHBondContact O-NE 3.5Å; E445-R449 VanDerWaalsContact O-NE 3.07Å
446	H	91.9	Very high	90.3	Very high	25 Å²	25	62.6 Å²	62.6	12%	0.116	30%	0.296	C	S	.	.	H	α-helix	trans	-66.1	-49.6	174	179.6	88.4	0	0	0	110.8	K376 N379 S442 R443 E444 N448 R449 H450	K376-H446 PolarHBondContact O-NE2 3.47Å; N379-H446 WeakPolarHBondContact CB-NE2 3.47Å; N379-H446 PolarHBondContact ND2-CE1 3.2Å; N379-H446 PolarHBondContact ND2-ND1 3.27Å; N379-H446 VanDerWaalsContact ND2-ND1 3.12Å; N379-H446 PolarHBondContact OD1-CE1 2.84Å; S442-H446 PolarHBondContact O-N 3.33Å; S442-H446 VanDerWaalsContact O-N 3.14Å; R443-H446 WeakPolarHBondContact O-CB 3.42Å; R443-H446 PolarHBondContact O-N 3.48Å; E444-H446 VanDerWaalsContact C-N 3.32Å; E444-H446 PolarHBondContact O-N 2.97Å; H446-N448 VanDerWaalsContact C-N 3.32Å; H446-N448 PolarHBondContact O-N 3.26Å; H446-R449 PolarHBondContact O-N 3.14Å; H446-H450 AromaticContact CD2-ND1 3.88Å; H446-H450 AromaticContact CE1-CE1 3.44Å; H446-H450 PolarHBondContact CE1-CE1 3.18Å; H446-H450 VanDerWaalsContact CE1-CE1 3.44Å; H446-H450 AromaticContact CE1-CG 3.68Å; H446-H450 AromaticContact CE1-ND1 3.23Å; H446-H450 PolarHBondContact CE1-ND1 2.93Å; H446-H450 AromaticContact CE1-NE2 3.99Å; H446-H450 AromaticContact CG-ND1 3.71Å; H446-H450 AromaticContact ND1-CE1 3.43Å; H446-H450 PolarHBondContact ND1-CE1 3.38Å; H446-H450 AromaticContact ND1-ND1 3.32Å; H446-H450 PolarHBondContact ND1-ND1 3.38Å; H446-H450 AromaticContact NE2-CG 3.79Å; H446-H450 AromaticContact NE2-ND1 3.58Å; H446-H450 PolarHBondContact O-N 2.93Å; H446-H450 PolarHBondContact O-ND1 3.08Å
447	E	92.6	Very high	91	Very high	3 Å²	3	60.8 Å²	60.8	1%	0.014	29%	0.288	C	S	.	.	H	α-helix	trans	-55.2	-49.8	177.6	-71.9	166.8	-175.5	0	0	109.9	K217 F219 L377 R443 E444 R449 H450 M451 R456	K217-E447 IonicContact NZ-OE1 2.66Å; K217-E447 PolarHBondContact NZ-OE1 2.85Å; K217-E447 IonicContact NZ-OE2 3.48Å; K217-E447 PolarHBondContact NZ-OE2 2.83Å; F219-E447 HydrophobicContact CZ-CB 4.4Å; F219-E447 HydrophobicContact CZ-CG 4.2Å; L377-E447 HydrophobicContact CD2-CB 4.18Å; L377-E447 HydrophobicContact CD2-CG 4.32Å; R443-E447 HydrophobicContact CG-CG 4.44Å; R443-E447 WeakPolarHBondContact CG-OE1 3.49Å; R443-E447 IonicContact CZ-OE1 3.29Å; R443-E447 IonicContact NE-OE1 2.75Å; R443-E447 PolarHBondContact NE-OE1 2.7Å; R443-E447 IonicContact NH2-OE1 2.91Å; R443-E447 WeakPolarHBondContact O-CG 3.32Å; R443-E447 PolarHBondContact O-N 3.17Å; E444-E447 PolarHBondContact O-N 3.18Å; E447-R449 VanDerWaalsContact C-N 3.28Å; E447-R449 PolarHBondContact O-N 3.18Å; E447-H450 PolarHBondContact O-N 2.96Å; E447-H450 VanDerWaalsContact O-N 3.15Å; E447-M451 VanDerWaalsContact O-CG 3.31Å; E447-M451 WeakPolarHBondContact O-CG 3.39Å; E447-M451 PolarHBondContact O-N 3.48Å; E447-R456 IonicContact OE2-NH1 3.89Å
448	N	90.8	Very high	91.7	Very high	78 Å²	78	61.1 Å²	61.1	42%	0.417	29%	0.288	S	S	.	.	H	α-helix	trans	-59.3	-35.8	-180	-67.4	-13	0	0	0	113.2	E444 H446 M451 R456	E444-N448 WeakPolarHBondContact O-CB 3.38Å; E444-N448 PolarHBondContact O-N 3.32Å; E444-N448 PolarHBondContact O-ND2 2.95Å; E444-N448 PolarHBondContact O-OD1 3.43Å; H446-N448 VanDerWaalsContact C-N 3.32Å; H446-N448 PolarHBondContact O-N 3.26Å; N448-M451 HydrophobicContact CB-CE 4.42Å; N448-R456 PolarHBondContact OD1-NH1 3.2Å; N448-R456 PolarHBondContact OD1-NH2 2.99Å
449	R	92.9	Very high	92.2	Very high	174 Å²	174	58.4 Å²	58.4	66%	0.657	28%	0.283	S	S	*	.	H	α-helix	trans	-80.5	-23.6	178.8	-74.1	-177.7	-71.6	177.4	-7	114.4	E445 H446 E447	E445-R449 WeakPolarHBondContact O-CB 3.4Å; E445-R449 WeakPolarHBondContact O-CG 3.16Å; E445-R449 PolarHBondContact O-N 3.04Å; E445-R449 PolarHBondContact O-NE 3.5Å; E445-R449 VanDerWaalsContact O-NE 3.07Å; H446-R449 PolarHBondContact O-N 3.14Å; E447-R449 VanDerWaalsContact C-N 3.28Å; E447-R449 PolarHBondContact O-N 3.18Å
450	H	93	Very high	92.8	Very high	73 Å²	73	56.6 Å²	56.6	34%	0.338	28%	0.277	S	S	.	.	H	α-helix	trans	-121.5	15.3	-169.4	-57.5	89.6	0	0	0	114	H446 E447 G452	H446-H450 AromaticContact CD2-ND1 3.88Å; H446-H450 AromaticContact CE1-CE1 3.44Å; H446-H450 PolarHBondContact CE1-CE1 3.18Å; H446-H450 VanDerWaalsContact CE1-CE1 3.44Å; H446-H450 AromaticContact CE1-CG 3.68Å; H446-H450 AromaticContact CE1-ND1 3.23Å; H446-H450 PolarHBondContact CE1-ND1 2.93Å; H446-H450 AromaticContact CE1-NE2 3.99Å; H446-H450 AromaticContact CG-ND1 3.71Å; H446-H450 AromaticContact ND1-CE1 3.43Å; H446-H450 PolarHBondContact ND1-CE1 3.38Å; H446-H450 AromaticContact ND1-ND1 3.32Å; H446-H450 PolarHBondContact ND1-ND1 3.38Å; H446-H450 AromaticContact NE2-CG 3.79Å; H446-H450 AromaticContact NE2-ND1 3.58Å; H446-H450 PolarHBondContact O-N 2.93Å; H446-H450 PolarHBondContact O-ND1 3.08Å; E447-H450 PolarHBondContact O-N 2.96Å; E447-H450 VanDerWaalsContact O-N 3.15Å; H450-G452 PolarHBondContact O-N 3.49Å
451	M	90.4	Very high	93.1	Very high	30 Å²	30	60.7 Å²	60.7	15%	0.148	30%	0.296	C	S	.	.			trans	-58.9	-31.4	176.9	-95	-172.1	-78.9	0	0	113.2	F219 L377 E447 N448 N453 Y454 R456	F219-M451 HydrophobicContact CD1-CG 4.26Å; F219-M451 HydrophobicContact CD1-SD 4.31Å; F219-M451 HydrophobicContact CE1-CG 4.15Å; F219-M451 HydrophobicContact CE1-SD 4.26Å; L377-M451 HydrophobicContact CD2-CG 3.97Å; E447-M451 VanDerWaalsContact O-CG 3.31Å; E447-M451 WeakPolarHBondContact O-CG 3.39Å; E447-M451 PolarHBondContact O-N 3.48Å; N448-M451 HydrophobicContact CB-CE 4.42Å; M451-N453 PolarHBondContact O-N 3Å; M451-Y454 WeakPolarHBondContact O-CB 3.45Å; M451-Y454 PolarHBondContact O-N 2.82Å; M451-R456 HydrophobicContact SD-CB 4.26Å
452	G	94.4	Very high	93.5	Very high	46 Å²	46	62.3 Å²	62.3	47%	0.474	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	-122.9	-171.4	0	0	0	0	0	110.1	H450 Y454 R455	H450-G452 PolarHBondContact O-N 3.49Å; G452-Y454 VanDerWaalsContact C-N 3.35Å; G452-R455 PolarHBondContact O-NH1 3.14Å; G452-R455 VanDerWaalsContact O-NH1 3.15Å
453	N	96.6	Very high	93.7	Very high	52 Å²	52	67.5 Å²	67.5	28%	0.278	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	5.5	176.4	-152.8	24.8	0	0	0	114.1	Y221 H222 M451	Y221-N453 HydrophobicContact CD2-CB 4.36Å; Y221-N453 HydrophobicContact CE1-CB 4.44Å; Y221-N453 HydrophobicContact CE2-CB 3.7Å; H222-N453 WeakPolarHBondContact CB-O 3.22Å; H222-N453 PolarHBondContact N-O 2.83Å; H222-N453 PolarHBondContact O-ND2 3.08Å; M451-N453 PolarHBondContact O-N 3Å
454	Y	98.4	Very high	94.1	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	155	166	-79.7	-76.5	0	0	0	111.5	L209 F219 L220 Y221 V370 N373 A374 L377 M451 G452	L209-Y454 HydrophobicContact CB-CD1 4.28Å; L209-Y454 HydrophobicContact CB-CE1 3.54Å; L209-Y454 HydrophobicContact CD2-CE1 4.49Å; L209-Y454 HydrophobicContact CD2-CE2 4.28Å; F219-Y454 HydrophobicContact CB-CD1 3.63Å; F219-Y454 HydrophobicContact CB-CE1 4.33Å; F219-Y454 HydrophobicContact CB-CG 4.14Å; L220-Y454 CarbonylContact O-C 3.59Å; L220-Y454 WeakPolarHBondContact O-CA 3.48Å; Y221-Y454 AromaticContact CD2-CD1 3.9Å; Y221-Y454 HydrophobicContact CD2-CD1 3.9Å; Y221-Y454 AromaticContact CD2-CD2 3.65Å; Y221-Y454 HydrophobicContact CD2-CD2 3.65Å; Y221-Y454 AromaticContact CD2-CE1 3.82Å; Y221-Y454 HydrophobicContact CD2-CE1 3.82Å; Y221-Y454 AromaticContact CD2-CE2 3.55Å; Y221-Y454 HydrophobicContact CD2-CE2 3.55Å; Y221-Y454 AromaticContact CD2-CG 3.82Å; Y221-Y454 HydrophobicContact CD2-CG 3.82Å; Y221-Y454 AromaticContact CD2-CZ 3.64Å; Y221-Y454 HydrophobicContact CE2-CD2 4.09Å; Y221-Y454 HydrophobicContact CE2-CE2 4.03Å; Y221-Y454 HydrophobicContact CG-CD1 4.47Å; Y221-Y454 HydrophobicContact CG-CE1 4.22Å; V370-Y454 WeakPolarHBondContact CG1-OH 3.46Å; V370-Y454 PolarHBondContact O-OH 3.13Å; N373-Y454 HydrophobicContact CB-CD2 3.73Å; N373-Y454 HydrophobicContact CB-CE2 3.91Å; A374-Y454 HydrophobicContact CB-CE2 4.13Å; L377-Y454 HydrophobicContact CD1-CD2 3.7Å; L377-Y454 HydrophobicContact CD1-CE2 4.46Å; L377-Y454 HydrophobicContact CD1-CG 3.88Å; M451-Y454 WeakPolarHBondContact O-CB 3.45Å; M451-Y454 PolarHBondContact O-N 2.82Å; G452-Y454 VanDerWaalsContact C-N 3.35Å
455	R	97.6	Very high	94.5	Very high	117 Å²	117	66.5 Å²	66.5	44%	0.442	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	130.6	169	-62.7	-66.2	178	-108.2	4.6	108.7	F219 L220 H222 G452 I457	F219-R455 CarbonylContact C-O 3.52Å; F219-R455 VanDerWaalsContact CA-O 3.27Å; F219-R455 WeakPolarHBondContact CA-O 3.3Å; L220-R455 PolarHBondContact N-O 2.87Å; L220-R455 PolarHBondContact O-N 2.88Å; H222-R455 HydrophobicContact CB-CG 4.5Å; G452-R455 PolarHBondContact O-NH1 3.14Å; G452-R455 VanDerWaalsContact O-NH1 3.15Å; R455-I457 PolarHBondContact O-N 3.1Å
456	R	98.1	Very high	94.7	Very high	51 Å²	51	63.9 Å²	63.9	19%	0.192	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	115.8	174.7	-174.2	169.4	60.3	-123.5	-12.7	108.8	F219 E447 N448 M451	F219-R456 HydrophobicContact CD1-CB 3.84Å; F219-R456 HydrophobicContact CD1-CG 4.38Å; F219-R456 HydrophobicContact CE1-CB 3.68Å; F219-R456 HydrophobicContact CE1-CG 4.02Å; F219-R456 HydrophobicContact CZ-CB 4.44Å; F219-R456 HydrophobicContact CZ-CG 4.3Å; E447-R456 IonicContact OE2-NH1 3.89Å; N448-R456 PolarHBondContact OD1-NH1 3.2Å; N448-R456 PolarHBondContact OD1-NH2 2.99Å; M451-R456 HydrophobicContact SD-CB 4.26Å
457	I	98.3	Very high	94.8	Very high	15 Å²	15	68.5 Å²	68.5	8%	0.077	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	-17.1	178.9	55.5	167	0	0	0	112.1	I218 L220 S296 V299 V300 R455	I218-I457 HydrophobicContact CB-CG1 4.09Å; I218-I457 HydrophobicContact CG2-CD1 3.73Å; I218-I457 HydrophobicContact CG2-CG1 3.74Å; I218-I457 WeakPolarHBondContact O-CG1 3.31Å; I218-I457 PolarHBondContact O-N 2.72Å; L220-I457 HydrophobicContact CB-CD1 3.85Å; L220-I457 HydrophobicContact CB-CG1 4.22Å; L220-I457 HydrophobicContact CB-CG2 3.86Å; S296-I457 WeakPolarHBondContact OG-CG2 3.37Å; V299-I457 HydrophobicContact CB-CD1 3.82Å; V299-I457 HydrophobicContact CG1-CD1 3.55Å; V300-I457 HydrophobicContact CG2-CB 4.08Å; V300-I457 HydrophobicContact CG2-CD1 3.87Å; V300-I457 HydrophobicContact CG2-CG1 3.95Å; V300-I457 WeakPolarHBondContact CG2-O 3.44Å; R455-I457 PolarHBondContact O-N 3.1Å
458	Y	97.9	Very high	95	Very high	21 Å²	21	71.9 Å²	71.9	8%	0.082	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	133.4	168.3	-170.2	-88.5	0	0	0	112	L216 K217 I218 V300 L466 Y469 L473	L216-Y458 HydrophobicContact CB-CD1 4.02Å; L216-Y458 HydrophobicContact CB-CE1 3.75Å; L216-Y458 HydrophobicContact CD2-CD1 4Å; L216-Y458 HydrophobicContact CD2-CE1 3.98Å; L216-Y458 HydrophobicContact CG-CD1 3.74Å; L216-Y458 HydrophobicContact CG-CE1 3.91Å; L216-Y458 VanDerWaalsContact O-CD1 3.25Å; L216-Y458 WeakPolarHBondContact O-CD1 3.31Å; L216-Y458 WeakPolarHBondContact O-CE1 3.45Å; K217-Y458 WeakPolarHBondContact CA-O 3.46Å; I218-Y458 HydrophobicContact CD1-CG 4.3Å; I218-Y458 PolarHBondContact N-O 3.46Å; I218-Y458 PolarHBondContact O-N 2.78Å; V300-Y458 HydrophobicContact CG1-CD2 3.69Å; V300-Y458 HydrophobicContact CG1-CG 4.24Å; Y458-L466 HydrophobicContact CE2-CD1 4.08Å; Y458-Y469 AromaticContact CD2-CD2 3.73Å; Y458-Y469 HydrophobicContact CD2-CD2 3.73Å; Y458-Y469 HydrophobicContact CD2-CE2 4.4Å; Y458-Y469 HydrophobicContact CD2-CG 4.29Å; Y458-Y469 AromaticContact CE2-CD2 3.99Å; Y458-Y469 HydrophobicContact CE2-CD2 3.99Å; Y458-Y469 HydrophobicContact CE2-CG 4.23Å; Y458-L473 HydrophobicContact CE2-CD1 4.47Å; Y458-L473 WeakPolarHBondContact OH-CD1 3.5Å
459	P	96.3	Very high	95.3	Very high	44 Å²	44	68.3 Å²	68.3	29%	0.286	34%	0.337	S	S	.	.	S	Bend	cis	-64.5	140	-10.4	27.5	-35	0	0	0	111.3	L466	P459-L466 HydrophobicContact CB-CD1 3.95Å
460	P	95.3	Very high	95.3	Very high	21 Å²	21	63.4 Å²	63.4	14%	0.136	32%	0.321	C	S	.	.			trans	-72.6	159.6	176.1	32.7	-37.3	0	0	0	111.3	D462 L465 L466 Y469	P460-D462 VanDerWaalsContact C-N 3.34Å; P460-L465 HydrophobicContact CB-CD2 4.11Å; P460-L465 HydrophobicContact CB-CG 4.5Å; P460-L465 HydrophobicContact CG-CB 4.24Å; P460-L465 HydrophobicContact CG-CD2 4.3Å; P460-L465 HydrophobicContact CG-CG 4.16Å; P460-L466 HydrophobicContact CG-CB 3.92Å; P460-Y469 HydrophobicContact CG-CD2 3.85Å; P460-Y469 HydrophobicContact CG-CE2 3.86Å
461	E	91.4	Very high	95.2	Very high	175 Å²	175	63.9 Å²	63.9	82%	0.818	33%	0.326	S	S	*	.	S	Bend	trans	-72.7	-30	173.5	-63.5	-177.8	178.3	0	0	112	K463	E461-K463 PolarHBondContact O-N 3.45Å
462	D	93.8	Very high	95.5	Very high	93 Å²	93	62.6 Å²	62.6	50%	0.497	32%	0.32	S	S	.	.			trans	-70.5	115.9	173.8	-178.1	-17.7	0	0	0	110.8	P460 A464 L465 L466	P460-D462 VanDerWaalsContact C-N 3.34Å; D462-A464 WeakPolarHBondContact OD1-CB 3.33Å; D462-A464 PolarHBondContact OD1-N 3.36Å; D462-L465 HydrophobicContact CB-CB 3.89Å; D462-L465 PolarHBondContact O-N 3.28Å; D462-L465 PolarHBondContact OD1-N 2.92Å; D462-L466 WeakPolarHBondContact O-CB 3.41Å; D462-L466 PolarHBondContact O-N 3.32Å
463	K	93.1	Very high	95.4	Very high	176 Å²	176	61 Å²	61	77%	0.765	30%	0.301	S	S	*	.	H	α-helix	trans	-66.4	-37.4	-179.7	-66.3	-177.4	-178.6	174.9	0	113.4	E461 L465 L466 E467	E461-K463 PolarHBondContact O-N 3.45Å; K463-L465 VanDerWaalsContact C-N 3.34Å; K463-L466 PolarHBondContact O-N 3.08Å; K463-E467 PolarHBondContact O-N 2.94Å
464	A	95.6	Very high	95.1	Very high	67 Å²	67	60.4 Å²	60.4	55%	0.554	30%	0.302	S	S	*	.	H	α-helix	trans	-69	-39.2	179.3	0	0	0	0	0	110.2	D462 E467 K468	D462-A464 WeakPolarHBondContact OD1-CB 3.33Å; D462-A464 PolarHBondContact OD1-N 3.36Å; A464-E467 PolarHBondContact O-N 2.95Å; A464-K468 PolarHBondContact O-N 3.44Å
465	L	95.4	Very high	94.8	Very high	38 Å²	38	61 Å²	61	20%	0.199	31%	0.306	C	S	.	.	H	α-helix	trans	-66.9	-39.5	173.4	-172.8	60	0	0	0	111.9	P460 D462 K463 K468 Y469	P460-L465 HydrophobicContact CB-CD2 4.11Å; P460-L465 HydrophobicContact CB-CG 4.5Å; P460-L465 HydrophobicContact CG-CB 4.24Å; P460-L465 HydrophobicContact CG-CD2 4.3Å; P460-L465 HydrophobicContact CG-CG 4.16Å; D462-L465 HydrophobicContact CB-CB 3.89Å; D462-L465 PolarHBondContact O-N 3.28Å; D462-L465 PolarHBondContact OD1-N 2.92Å; K463-L465 VanDerWaalsContact C-N 3.34Å; L465-K468 HydrophobicContact CD1-CD 4.38Å; L465-K468 WeakPolarHBondContact O-CB 3.49Å; L465-K468 PolarHBondContact O-N 3.15Å; L465-Y469 HydrophobicContact CD1-CE1 4.06Å; L465-Y469 HydrophobicContact CD1-CE2 4.03Å; L465-Y469 HydrophobicContact CD2-CE2 3.95Å; L465-Y469 HydrophobicContact CG-CD2 4.16Å; L465-Y469 HydrophobicContact CG-CE2 3.58Å; L465-Y469 WeakPolarHBondContact O-CD2 3.31Å; L465-Y469 PolarHBondContact O-N 2.65Å
466	L	95.3	Very high	94.6	Very high	43 Å²	43	55.6 Å²	55.6	23%	0.225	29%	0.286	C	S	.	.	H	α-helix	trans	-59.9	-47.2	173.7	177.2	60.8	0	0	0	111.4	Y458 P459 P460 D462 K463 K468 Y469 E470	Y458-L466 HydrophobicContact CE2-CD1 4.08Å; P459-L466 HydrophobicContact CB-CD1 3.95Å; P460-L466 HydrophobicContact CG-CB 3.92Å; D462-L466 WeakPolarHBondContact O-CB 3.41Å; D462-L466 PolarHBondContact O-N 3.32Å; K463-L466 PolarHBondContact O-N 3.08Å; L466-K468 VanDerWaalsContact C-N 3.32Å; L466-K468 PolarHBondContact O-N 3.23Å; L466-Y469 CarbonylContact O-C 3.5Å; L466-Y469 WeakPolarHBondContact O-CB 3.25Å; L466-Y469 PolarHBondContact O-N 2.99Å; L466-Y469 VanDerWaalsContact O-N 3.08Å; L466-E470 HydrophobicContact CD1-CG 4.29Å; L466-E470 HydrophobicContact CG-CG 4.46Å; L466-E470 WeakPolarHBondContact O-CG 3.35Å; L466-E470 PolarHBondContact O-N 3.48Å
467	E	93.5	Very high	94.1	Very high	121 Å²	121	53.8 Å²	53.8	57%	0.565	28%	0.28	S	S	*	.	H	α-helix	trans	-60.4	-42.1	177.3	-176.2	178.8	-175.9	0	0	111.6	K463 A464 Y469 E470 N471	K463-E467 PolarHBondContact O-N 2.94Å; A464-E467 PolarHBondContact O-N 2.95Å; E467-Y469 VanDerWaalsContact C-N 3.32Å; E467-Y469 PolarHBondContact O-N 3.01Å; E467-E470 PolarHBondContact O-N 3.26Å; E467-N471 WeakPolarHBondContact O-CB 3.21Å; E467-N471 VanDerWaalsContact O-CG 3.31Å; E467-N471 PolarHBondContact O-N 2.75Å; E467-N471 PolarHBondContact O-ND2 3.46Å
468	K	96.1	Very high	93.6	Very high	75 Å²	75	57.7 Å²	57.7	33%	0.326	30%	0.298	S	S	.	.	H	α-helix	trans	-57.1	-45.7	172.3	-176.6	-178.1	178.3	-177.7	0	111.3	D124 E297 A464 L465 L466 N471 L472	D124-K468 WeakPolarHBondContact OD1-CE 3.37Å; D124-K468 IonicContact OD1-NZ 2.75Å; E297-K468 IonicContact OE2-NZ 3.88Å; A464-K468 PolarHBondContact O-N 3.44Å; L465-K468 HydrophobicContact CD1-CD 4.38Å; L465-K468 WeakPolarHBondContact O-CB 3.49Å; L465-K468 PolarHBondContact O-N 3.15Å; L466-K468 VanDerWaalsContact C-N 3.32Å; L466-K468 PolarHBondContact O-N 3.23Å; K468-N471 WeakPolarHBondContact O-CB 3.41Å; K468-N471 PolarHBondContact O-N 3.48Å; K468-L472 WeakPolarHBondContact O-CG 3.08Å; K468-L472 PolarHBondContact O-N 3.46Å
469	Y	97.5	Very high	93.2	Very high	3 Å²	3	57.8 Å²	57.8	1%	0.012	30%	0.301	C	S	.	.	H	α-helix	trans	-67.3	-38.8	177.4	-67.4	-33.4	0	0	0	113.4	E297 V300 K301 I304 Y458 P460 L465 L466 E467 N471 L472 L473	E297-Y469 WeakPolarHBondContact CA-OH 3.43Å; E297-Y469 WeakPolarHBondContact CG-OH 3.04Å; V300-Y469 HydrophobicContact CB-CE1 4.04Å; V300-Y469 HydrophobicContact CB-CE2 4.12Å; V300-Y469 HydrophobicContact CG1-CD1 3.78Å; V300-Y469 HydrophobicContact CG1-CD2 3.76Å; V300-Y469 HydrophobicContact CG1-CE1 3.69Å; V300-Y469 HydrophobicContact CG1-CE2 3.64Å; V300-Y469 HydrophobicContact CG1-CG 3.82Å; V300-Y469 HydrophobicContact CG2-CE2 4.21Å; K301-Y469 HydrophobicContact CG-CE1 4.14Å; I304-Y469 HydrophobicContact CD1-CD1 3.9Å; I304-Y469 HydrophobicContact CD1-CG 4.12Å; Y458-Y469 AromaticContact CD2-CD2 3.73Å; Y458-Y469 HydrophobicContact CD2-CD2 3.73Å; Y458-Y469 HydrophobicContact CD2-CE2 4.4Å; Y458-Y469 HydrophobicContact CD2-CG 4.29Å; Y458-Y469 AromaticContact CE2-CD2 3.99Å; Y458-Y469 HydrophobicContact CE2-CD2 3.99Å; Y458-Y469 HydrophobicContact CE2-CG 4.23Å; P460-Y469 HydrophobicContact CG-CD2 3.85Å; P460-Y469 HydrophobicContact CG-CE2 3.86Å; L465-Y469 HydrophobicContact CD1-CE1 4.06Å; L465-Y469 HydrophobicContact CD1-CE2 4.03Å; L465-Y469 HydrophobicContact CD2-CE2 3.95Å; L465-Y469 HydrophobicContact CG-CD2 4.16Å; L465-Y469 HydrophobicContact CG-CE2 3.58Å; L465-Y469 WeakPolarHBondContact O-CD2 3.31Å; L465-Y469 PolarHBondContact O-N 2.65Å; L466-Y469 CarbonylContact O-C 3.5Å; L466-Y469 WeakPolarHBondContact O-CB 3.25Å; L466-Y469 PolarHBondContact O-N 2.99Å; L466-Y469 VanDerWaalsContact O-N 3.08Å; E467-Y469 VanDerWaalsContact C-N 3.32Å; E467-Y469 PolarHBondContact O-N 3.01Å; Y469-N471 VanDerWaalsContact C-N 3.3Å; Y469-N471 PolarHBondContact O-N 2.83Å; Y469-L472 PolarHBondContact O-N 2.95Å; Y469-L473 WeakPolarHBondContact O-CG 3.3Å; Y469-L473 PolarHBondContact O-N 2.97Å
470	E	92.3	Very high	92.7	Very high	70 Å²	70	57.9 Å²	57.9	33%	0.327	30%	0.297	S	S	.	.	H	α-helix	trans	-60.9	-40.7	173.6	-71.6	-172.7	164.3	0	0	111.2	L466 E467 L472 L473 A474 R498	L466-E470 HydrophobicContact CD1-CG 4.29Å; L466-E470 HydrophobicContact CG-CG 4.46Å; L466-E470 WeakPolarHBondContact O-CG 3.35Å; L466-E470 PolarHBondContact O-N 3.48Å; E467-E470 PolarHBondContact O-N 3.26Å; E470-L472 PolarHBondContact O-N 2.95Å; E470-L473 WeakPolarHBondContact O-CB 3.42Å; E470-L473 PolarHBondContact O-N 3.46Å; E470-A474 PolarHBondContact O-N 3.43Å; E470-R498 IonicContact OE1-NH2 2.63Å; E470-R498 IonicContact OE2-NH2 3.7Å; E470-R498 PolarHBondContact OE2-NH2 3.13Å
471	N	92.8	Very high	92.1	Very high	83 Å²	83	58.1 Å²	58.1	44%	0.444	30%	0.297	S	S	.	.	H	α-helix	trans	-63.6	-39.6	174	-74.4	-34.4	0	0	0	112.4	E467 K468 Y469 A474 V475	E467-N471 WeakPolarHBondContact O-CB 3.21Å; E467-N471 VanDerWaalsContact O-CG 3.31Å; E467-N471 PolarHBondContact O-N 2.75Å; E467-N471 PolarHBondContact O-ND2 3.46Å; K468-N471 WeakPolarHBondContact O-CB 3.41Å; K468-N471 PolarHBondContact O-N 3.48Å; Y469-N471 VanDerWaalsContact C-N 3.3Å; Y469-N471 PolarHBondContact O-N 2.83Å; N471-A474 PolarHBondContact O-N 3.24Å; N471-V475 WeakPolarHBondContact O-CG2 3.47Å; N471-V475 PolarHBondContact O-N 3.25Å; N471-V475 VanDerWaalsContact O-N 3.16Å
472	L	95.2	Very high	91.1	Very high	3 Å²	3	54.6 Å²	54.6	2%	0.016	29%	0.292	C	S	.	.	H	α-helix	trans	-69	-37.7	174.8	-67.6	-178.3	0	0	0	112.3	R121 D124 Y125 K301 I304 K468 Y469 E470 V475 A476	R121-L472 HydrophobicContact CB-CD2 4.22Å; R121-L472 HydrophobicContact CG-CD2 3.76Å; D124-L472 HydrophobicContact CB-CD1 4.27Å; D124-L472 HydrophobicContact CB-CD2 4.17Å; Y125-L472 HydrophobicContact CE2-CD1 4.46Å; Y125-L472 HydrophobicContact CE2-CD2 4.2Å; K301-L472 HydrophobicContact CD-CD1 3.91Å; K301-L472 HydrophobicContact CG-CD1 3.74Å; I304-L472 HydrophobicContact CD1-CB 4.14Å; I304-L472 HydrophobicContact CG2-CB 4.08Å; K468-L472 WeakPolarHBondContact O-CG 3.08Å; K468-L472 PolarHBondContact O-N 3.46Å; Y469-L472 PolarHBondContact O-N 2.95Å; E470-L472 PolarHBondContact O-N 2.95Å; L472-V475 PolarHBondContact O-N 3.43Å; L472-A476 WeakPolarHBondContact O-CB 3.48Å; L472-A476 PolarHBondContact O-N 3.29Å
473	L	93.6	Very high	89.4	Confident	14 Å²	14	53.1 Å²	53.1	7%	0.073	30%	0.298	C	S	.	.	H	α-helix	trans	-59.8	-48.5	171.5	-80.6	164.4	0	0	0	110.9	I304 E307 Y458 Y469 E470 V475 A476 F477	I304-L473 HydrophobicContact CB-CD2 4.21Å; I304-L473 HydrophobicContact CB-CG 4.46Å; I304-L473 HydrophobicContact CD1-CG 4.17Å; I304-L473 HydrophobicContact CG1-CD2 3.89Å; I304-L473 HydrophobicContact CG1-CG 3.86Å; I304-L473 HydrophobicContact CG2-CD2 3.97Å; I304-L473 HydrophobicContact CG2-CG 4.05Å; E307-L473 HydrophobicContact CB-CD2 3.85Å; E307-L473 HydrophobicContact CG-CD2 3.63Å; Y458-L473 HydrophobicContact CE2-CD1 4.47Å; Y458-L473 WeakPolarHBondContact OH-CD1 3.5Å; Y469-L473 WeakPolarHBondContact O-CG 3.3Å; Y469-L473 PolarHBondContact O-N 2.97Å; E470-L473 WeakPolarHBondContact O-CB 3.42Å; E470-L473 PolarHBondContact O-N 3.46Å; L473-V475 PolarHBondContact O-N 2.86Å; L473-A476 PolarHBondContact O-N 3.48Å; L473-F477 HydrophobicContact CD2-CE2 4.26Å; L473-F477 VanDerWaalsContact O-CD2 3.29Å; L473-F477 WeakPolarHBondContact O-CD2 3.39Å; L473-F477 PolarHBondContact O-N 2.99Å
474	A	89.2	Confident	87.7	Confident	38 Å²	38	54.5 Å²	54.5	31%	0.314	30%	0.299	S	S	.	.	H	α-helix	trans	-55	-42.8	177.2	0	0	0	0	0	111.7	E470 N471 Q478	E470-A474 PolarHBondContact O-N 3.43Å; N471-A474 PolarHBondContact O-N 3.24Å; A474-Q478 WeakPolarHBondContact O-CB 3.44Å; A474-Q478 VanDerWaalsContact O-CG 3.25Å; A474-Q478 WeakPolarHBondContact O-CG 3.42Å; A474-Q478 PolarHBondContact O-N 3.17Å
475	V	92.3	Very high	85.2	Confident	12 Å²	12	55.6 Å²	55.6	7%	0.073	31%	0.308	C	S	.	.	H	α-helix	trans	-66.4	-45.2	173.8	175.5	0	0	0	0	112.1	M117 R121 N471 L472 L473 F477 Q478 T479	M117-V475 HydrophobicContact CE-CG1 4.15Å; M117-V475 HydrophobicContact SD-CG1 4.3Å; R121-V475 HydrophobicContact CG-CG1 4.14Å; N471-V475 WeakPolarHBondContact O-CG2 3.47Å; N471-V475 PolarHBondContact O-N 3.25Å; N471-V475 VanDerWaalsContact O-N 3.16Å; L472-V475 PolarHBondContact O-N 3.43Å; L473-V475 PolarHBondContact O-N 2.86Å; V475-F477 VanDerWaalsContact C-N 3.31Å; V475-F477 PolarHBondContact O-N 3.41Å; V475-Q478 CarbonylContact O-C 3.5Å; V475-Q478 WeakPolarHBondContact O-CB 3.42Å; V475-Q478 PolarHBondContact O-N 2.95Å; V475-Q478 VanDerWaalsContact O-N 3.07Å; V475-T479 WeakPolarHBondContact O-CB 3.28Å; V475-T479 PolarHBondContact O-N 2.97Å; V475-T479 PolarHBondContact O-OG1 2.99Å
476	A	93.3	Very high	82.9	Confident	4 Å²	4	57 Å²	57	3%	0.033	33%	0.325	C	S	.	.	H	α-helix	trans	-58.1	-43.6	178.5	0	0	0	0	0	111.8	M117 I304 P308 L472 L473 T479 F480	M117-A476 HydrophobicContact CE-CB 4.06Å; M117-A476 HydrophobicContact SD-CB 4.04Å; I304-A476 HydrophobicContact CG2-CB 3.9Å; I304-A476 WeakPolarHBondContact O-CB 3.39Å; P308-A476 HydrophobicContact CG-CB 4.31Å; L472-A476 WeakPolarHBondContact O-CB 3.48Å; L472-A476 PolarHBondContact O-N 3.29Å; L473-A476 PolarHBondContact O-N 3.48Å; A476-T479 PolarHBondContact O-N 3.28Å; A476-F480 WeakPolarHBondContact O-CB 3.48Å; A476-F480 PolarHBondContact O-N 3.31Å
477	F	89.1	Confident	80.8	Confident	14 Å²	14	59.3 Å²	59.3	6%	0.061	35%	0.345	C	S	.	.	H	α-helix	trans	-64.3	-42	173	-83.3	-88.2	0	0	0	111.9	E307 P308 L311 L473 V475 T479 F480 L481 F488 L492	E307-F477 HydrophobicContact CG-CE2 3.98Å; E307-F477 HydrophobicContact CG-CZ 4.17Å; P308-F477 HydrophobicContact CB-CD1 3.72Å; P308-F477 HydrophobicContact CB-CD2 4.28Å; P308-F477 HydrophobicContact CB-CE1 3.72Å; P308-F477 HydrophobicContact CB-CE2 4.27Å; P308-F477 HydrophobicContact CB-CG 4.01Å; P308-F477 HydrophobicContact CB-CZ 3.99Å; L311-F477 HydrophobicContact CD2-CE1 4.06Å; L311-F477 HydrophobicContact CD2-CZ 3.68Å; L473-F477 HydrophobicContact CD2-CE2 4.26Å; L473-F477 VanDerWaalsContact O-CD2 3.29Å; L473-F477 WeakPolarHBondContact O-CD2 3.39Å; L473-F477 PolarHBondContact O-N 2.99Å; V475-F477 VanDerWaalsContact C-N 3.31Å; V475-F477 PolarHBondContact O-N 3.41Å; F477-T479 VanDerWaalsContact C-N 3.34Å; F477-T479 PolarHBondContact O-N 2.92Å; F477-F480 PolarHBondContact O-N 2.92Å; F477-L481 VanDerWaalsContact O-CB 3.29Å; F477-L481 WeakPolarHBondContact O-CB 3.39Å; F477-L481 WeakPolarHBondContact O-CG 3.5Å; F477-L481 PolarHBondContact O-N 3.18Å; F477-F488 HydrophobicContact CD1-CB 4.5Å; F477-F488 HydrophobicContact CD1-CD1 4.46Å; F477-F488 HydrophobicContact CE1-CD1 4.03Å; F477-F488 HydrophobicContact CE1-CE1 4.42Å; F477-L492 HydrophobicContact CD2-CD1 4.41Å; F477-L492 HydrophobicContact CG-CD1 4.48Å
478	Q	87.8	Confident	78.9	Confident	96 Å²	96	55.5 Å²	55.5	45%	0.449	33%	0.327	S	S	.	.	H	α-helix	trans	-61.6	-41.1	174.1	-75.7	171.8	-5.1	0	0	112.5	A474 V475 L481 S482	A474-Q478 WeakPolarHBondContact O-CB 3.44Å; A474-Q478 VanDerWaalsContact O-CG 3.25Å; A474-Q478 WeakPolarHBondContact O-CG 3.42Å; A474-Q478 PolarHBondContact O-N 3.17Å; V475-Q478 CarbonylContact O-C 3.5Å; V475-Q478 WeakPolarHBondContact O-CB 3.42Å; V475-Q478 PolarHBondContact O-N 2.95Å; V475-Q478 VanDerWaalsContact O-N 3.07Å; Q478-L481 PolarHBondContact O-N 3.18Å; Q478-S482 WeakPolarHBondContact O-CB 3.32Å; Q478-S482 PolarHBondContact O-N 3.03Å; Q478-S482 PolarHBondContact O-OG 2.94Å
479	T	88.1	Confident	76.7	Confident	23 Å²	23	56.3 Å²	56.3	14%	0.141	33%	0.331	C	S	.	.	H	α-helix	trans	-68.3	-35	177.6	-60.7	0	0	0	0	111.7	K116 M117 V475 A476 F477 S482	K116-T479 HydrophobicContact CB-CG2 3.54Å; K116-T479 HydrophobicContact CD-CG2 4.09Å; K116-T479 HydrophobicContact CG-CG2 4.37Å; M117-T479 HydrophobicContact SD-CG2 4.5Å; V475-T479 WeakPolarHBondContact O-CB 3.28Å; V475-T479 PolarHBondContact O-N 2.97Å; V475-T479 PolarHBondContact O-OG1 2.99Å; A476-T479 PolarHBondContact O-N 3.28Å; F477-T479 VanDerWaalsContact C-N 3.34Å; F477-T479 PolarHBondContact O-N 2.92Å; T479-S482 VanDerWaalsContact CA-OG 3.27Å; T479-S482 WeakPolarHBondContact CA-OG 3.05Å; T479-S482 PolarHBondContact O-OG 3.01Å; T479-S482 VanDerWaalsContact O-OG 3.1Å
480	F	86.6	Confident	74.4	Confident	46 Å²	46	66.5 Å²	66.5	20%	0.202	37%	0.37	C	S	.	.	H	α-helix	trans	-66.7	-45.1	171.5	175.3	-101.4	0	0	0	111.1	P308 H309 H312 A476 F477 G483	P308-F480 HydrophobicContact CB-CB 3.7Å; P308-F480 HydrophobicContact CB-CD1 4.01Å; P308-F480 HydrophobicContact CB-CD2 4.16Å; P308-F480 HydrophobicContact CB-CG 3.71Å; P308-F480 HydrophobicContact CG-CB 3.91Å; P308-F480 HydrophobicContact CG-CG 4.28Å; H309-F480 AromaticContact CD2-CD2 3.96Å; H309-F480 AromaticContact CE1-CD2 3.62Å; H309-F480 AromaticContact CE1-CE2 3.92Å; H309-F480 AromaticContact CG-CD2 3.96Å; H309-F480 AromaticContact CG-CE2 3.94Å; H309-F480 AromaticContact ND1-CD2 3.74Å; H309-F480 AromaticContact ND1-CE2 3.61Å; H309-F480 AromaticContact NE2-CD2 3.73Å; H312-F480 HydrophobicContact CB-CE1 4.4Å; H312-F480 HydrophobicContact CB-CZ 4.04Å; A476-F480 WeakPolarHBondContact O-CB 3.48Å; A476-F480 PolarHBondContact O-N 3.31Å; F477-F480 PolarHBondContact O-N 2.92Å; F480-G483 PolarHBondContact O-N 2.93Å
481	L	81.5	Confident	72.5	Confident	26 Å²	26	66.6 Å²	66.6	14%	0.136	37%	0.37	C	S	.	.	H	α-helix	trans	-77	-25.5	-175.6	-66.7	172.6	0	0	0	114.4	F477 Q478 G483 R484 A485 Q489	F477-L481 VanDerWaalsContact O-CB 3.29Å; F477-L481 WeakPolarHBondContact O-CB 3.39Å; F477-L481 WeakPolarHBondContact O-CG 3.5Å; F477-L481 PolarHBondContact O-N 3.18Å; Q478-L481 PolarHBondContact O-N 3.18Å; L481-G483 PolarHBondContact O-N 3.41Å; L481-R484 CarbonylContact C-O 3.53Å; L481-R484 WeakPolarHBondContact CA-O 3.45Å; L481-R484 WeakPolarHBondContact CB-O 3.4Å; L481-R484 WeakPolarHBondContact CD2-O 3.32Å; L481-R484 CarbonylContact O-C 3.3Å; L481-R484 VanDerWaalsContact O-C 3.3Å; L481-R484 PolarHBondContact O-N 3.46Å; L481-A485 WeakPolarHBondContact CD2-O 3.39Å; L481-Q489 HydrophobicContact CD1-CG 4.43Å
482	S	71.8	Confident	70.2	Confident	102 Å²	102	66.8 Å²	66.8	71%	0.713	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-1.3	170.1	34.6	0	0	0	0	112.6	Q478 T479	Q478-S482 WeakPolarHBondContact O-CB 3.32Å; Q478-S482 PolarHBondContact O-N 3.03Å; Q478-S482 PolarHBondContact O-OG 2.94Å; T479-S482 VanDerWaalsContact CA-OG 3.27Å; T479-S482 WeakPolarHBondContact CA-OG 3.05Å; T479-S482 PolarHBondContact O-OG 3.01Å; T479-S482 VanDerWaalsContact O-OG 3.1Å
483	G	58.3	Low	67.8	Low	62 Å²	62	73.1 Å²	73.1	64%	0.639	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.7	-16	159.3	0	0	0	0	0	117.2	F480 L481	F480-G483 PolarHBondContact O-N 2.93Å; L481-G483 PolarHBondContact O-N 3.41Å
484	R	56.7	Low	65.9	Low	204 Å²	204	75.5 Å²	75.5	77%	0.77	42%	0.418	S	S	*	.	S	Bend	trans	-158.6	144.4	178.4	-65.3	-164.8	177.6	-169.4	-2.3	113.6	L481	L481-R484 CarbonylContact C-O 3.53Å; L481-R484 WeakPolarHBondContact CA-O 3.45Å; L481-R484 WeakPolarHBondContact CB-O 3.4Å; L481-R484 WeakPolarHBondContact CD2-O 3.32Å; L481-R484 CarbonylContact O-C 3.3Å; L481-R484 VanDerWaalsContact O-C 3.3Å; L481-R484 PolarHBondContact O-N 3.46Å
485	A	42.3	Very low	63.9	Low	90 Å²	90	78.7 Å²	78.7	74%	0.744	44%	0.435	S	S	*	.			trans	-49.4	155.1	-160	0	0	0	0	0	122.7	L481 S487	L481-A485 WeakPolarHBondContact CD2-O 3.39Å; A485-S487 PolarHBondContact O-N 2.93Å
486	A	48.7	Very low	61.9	Low	69 Å²	69	82.5 Å²	82.5	57%	0.57	45%	0.454	S	S	*	.	S	Bend	trans	-78	25.3	-156.2	0	0	0	0	0	121.4	F488	A486-F488 PolarHBondContact O-N 3.46Å
487	S	51.2	Low	60.2	Low	91 Å²	91	86.9 Å²	86.9	64%	0.636	47%	0.473	S	S	*	.			trans	-75.9	-19.7	-172.6	58.6	0	0	0	0	115.9	A485	A485-S487 PolarHBondContact O-N 2.93Å
488	F	52.1	Low	58.8	Low	41 Å²	41	94.6 Å²	94.6	18%	0.18	50%	0.502	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-22.6	-170.6	-98.9	-99	0	0	0	116.1	L311 F477 A486 R490 E491	L311-F488 HydrophobicContact CD2-CD1 4.49Å; L311-F488 HydrophobicContact CD2-CE1 3.75Å; L311-F488 HydrophobicContact CG-CE1 4.26Å; F477-F488 HydrophobicContact CD1-CB 4.5Å; F477-F488 HydrophobicContact CD1-CD1 4.46Å; F477-F488 HydrophobicContact CE1-CD1 4.03Å; F477-F488 HydrophobicContact CE1-CE1 4.42Å; A486-F488 PolarHBondContact O-N 3.46Å; F488-R490 PolarHBondContact O-N 3.21Å; F488-E491 PolarHBondContact O-N 2.92Å
489	Q	49.9	Very low	57.8	Low	91 Å²	91	91.7 Å²	91.7	43%	0.425	49%	0.488	S	S	.	.	H	α-helix	trans	-63.2	-25.7	-176.7	-77.5	-178	-15.3	0	0	113.4	L481	L481-Q489 HydrophobicContact CD1-CG 4.43Å
490	R	50.3	Low	57	Low	218 Å²	218	97 Å²	97	82%	0.823	51%	0.51	S	S	*	.	H	α-helix	trans	-73.9	-25.7	178.9	-63	-174.8	-152	159.9	6.5	113.4	F488	F488-R490 PolarHBondContact O-N 3.21Å
491	E	51.1	Low	56.6	Low	71 Å²	71	97.2 Å²	97.2	33%	0.332	51%	0.511	S	S	.	.	H	α-helix	trans	-81.9	-31.8	-175.8	-154	-167.4	144.7	0	0	112.7	R315 F488 N493 K497	R315-E491 IonicContact CZ-OE1 2.61Å; R315-E491 IonicContact CZ-OE2 2.73Å; R315-E491 IonicContact NH1-OE1 3.53Å; R315-E491 IonicContact NH1-OE2 3.94Å; R315-E491 PolarHBondContact NH1-OE2 3.3Å; R315-E491 IonicContact NH2-OE1 3.94Å; R315-E491 PolarHBondContact NH2-OE1 3.2Å; R315-E491 IonicContact NH2-OE2 2.73Å; R315-E491 PolarHBondContact NH2-OE2 2.94Å; F488-E491 PolarHBondContact O-N 2.92Å; E491-N493 VanDerWaalsContact C-N 3.28Å; E491-N493 PolarHBondContact O-N 3.42Å; E491-K497 IonicContact OE1-NZ 3.74Å; E491-K497 PolarHBondContact OE1-NZ 2.68Å
492	L	45.4	Very low	56.4	Low	87 Å²	87	102.5 Å²	102.5	46%	0.455	54%	0.535	S	S	.	.	H	α-helix	trans	-65.8	-30.6	175.1	-86.5	152.6	0	0	0	112.5	F477	F477-L492 HydrophobicContact CD2-CD1 4.41Å; F477-L492 HydrophobicContact CG-CD1 4.48Å
493	N	45.3	Very low	56.9	Low	136 Å²	136	101 Å²	101	73%	0.727	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	12.6	-177.5	-72.9	-11	0	0	0	114.2	E491 P495	E491-N493 VanDerWaalsContact C-N 3.28Å; E491-N493 PolarHBondContact O-N 3.42Å; N493-P495 WeakPolarHBondContact O-CD 3.35Å
494	N	52.9	Low	57.7	Low	65 Å²	65	98 Å²	98	35%	0.348	49%	0.489	S	S	.	.			trans	-72.4	111.1	-179.7	-172.5	-9.8	0	0	0	111.2	L496 K497	N494-L496 PolarHBondContact O-N 3.49Å; N494-L496 WeakPolarHBondContact OD1-CB 3.41Å; N494-L496 PolarHBondContact OD1-N 3.4Å; N494-L496 VanDerWaalsContact OD1-N 3.14Å; N494-K497 PolarHBondContact O-N 2.85Å
495	P	48.2	Very low	58.8	Low	105 Å²	105	90.5 Å²	90.5	68%	0.682	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-61.5	-30.3	-176.4	-19.4	32.5	0	0	0	112.7	N493 K497 R498	N493-P495 WeakPolarHBondContact O-CD 3.35Å; P495-K497 PolarHBondContact O-N 2.87Å; P495-R498 PolarHBondContact O-N 2.94Å
496	L	50.5	Low	60.7	Low	91 Å²	91	91 Å²	91	48%	0.476	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-63.8	-23.5	179.2	-64.2	167.9	0	0	0	112.1	R433 N494 R498 M499	R433-L496 PolarHBondContact NE-O 3.18Å; R433-L496 PolarHBondContact NH1-O 2.87Å; R433-L496 PolarHBondContact NH2-O 3.23Å; N494-L496 PolarHBondContact O-N 3.49Å; N494-L496 WeakPolarHBondContact OD1-CB 3.41Å; N494-L496 PolarHBondContact OD1-N 3.4Å; N494-L496 VanDerWaalsContact OD1-N 3.14Å; L496-R498 PolarHBondContact O-N 3.29Å; L496-M499 HydrophobicContact CD2-SD 3.92Å
497	K	57	Low	62.3	Low	96 Å²	96	90.3 Å²	90.3	42%	0.417	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-68.2	-17	177.8	-89.7	-171.9	-178	177.5	0	114	R433 E491 N494 P495	R433-K497 VanDerWaalsContact NH2-CA 3.26Å; R433-K497 PolarHBondContact NH2-O 3.41Å; E491-K497 IonicContact OE1-NZ 3.74Å; E491-K497 PolarHBondContact OE1-NZ 2.68Å; N494-K497 PolarHBondContact O-N 2.85Å; P495-K497 PolarHBondContact O-N 2.87Å
498	R	58.3	Low	63.7	Low	177 Å²	177	86.8 Å²	86.8	67%	0.668	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-104.4	0.7	-172.4	-67.2	-178.2	170.8	-177.2	-8	115.2	E470 P495 L496	E470-R498 IonicContact OE1-NH2 2.63Å; E470-R498 IonicContact OE2-NH2 3.7Å; E470-R498 PolarHBondContact OE2-NH2 3.13Å; P495-R498 PolarHBondContact O-N 2.94Å; L496-R498 PolarHBondContact O-N 3.29Å
499	M	67.3	Low	65.2	Low	34 Å²	34	89.7 Å²	89.7	17%	0.167	43%	0.428	C	S	.	.			trans	-69.9	137.9	-177.3	-65.7	-174.9	72.5	0	0	113.1	L496 D503 I504 L507	L496-M499 HydrophobicContact CD2-SD 3.92Å; M499-D503 HydrophobicContact CE-CB 3.89Å; M499-I504 HydrophobicContact CB-CD1 4.14Å; M499-I504 HydrophobicContact CB-CG1 3.88Å; M499-I504 HydrophobicContact CE-CG1 3.85Å; M499-I504 HydrophobicContact SD-CG1 4.28Å; M499-L507 HydrophobicContact CE-CD1 3.32Å; M499-L507 HydrophobicContact CE-CG 4.1Å; M499-L507 HydrophobicContact SD-CD1 4.32Å
500	K	72.3	Confident	66.7	Low	136 Å²	136	89.3 Å²	89.3	59%	0.591	43%	0.426	S	S	*	.			trans	-81.4	164.1	171.9	-62.2	178.6	179.7	176.8	0	111.1	E502 D503 I504	K500-E502 VanDerWaalsContact C-N 3.25Å; K500-E502 PolarHBondContact O-N 3.26Å; K500-D503 WeakPolarHBondContact CB-OD2 3.41Å; K500-D503 PolarHBondContact N-OD2 3.48Å; K500-D503 PolarHBondContact O-N 3.43Å; K500-I504 WeakPolarHBondContact O-CD1 3.36Å; K500-I504 WeakPolarHBondContact O-CG1 3.44Å; K500-I504 PolarHBondContact O-N 3.19Å; K500-I504 VanDerWaalsContact O-N 3.16Å
501	E	78.7	Confident	68.2	Low	49 Å²	49	79 Å²	79	23%	0.229	39%	0.387	C	S	.	.	H	α-helix	trans	-54.7	-43.8	175	171.8	160.8	-162.1	0	0	111.6	L434 V437 R438 I441 I504 L505	L434-E501 HydrophobicContact CD1-CB 4.49Å; L434-E501 HydrophobicContact CD1-CG 3.72Å; V437-E501 HydrophobicContact CG1-CB 4.01Å; R438-E501 IonicContact CZ-OE1 2.66Å; R438-E501 VanDerWaalsContact CZ-OE1 3.29Å; R438-E501 IonicContact NE-OE1 2.83Å; R438-E501 PolarHBondContact NE-OE1 2.93Å; R438-E501 IonicContact NH2-OE1 2.74Å; R438-E501 PolarHBondContact NH2-OE1 3.18Å; I441-E501 HydrophobicContact CD1-CB 4.47Å; I441-E501 WeakPolarHBondContact CD1-OE2 3.42Å; E501-I504 PolarHBondContact O-N 2.96Å; E501-L505 HydrophobicContact CG-CD1 3.83Å; E501-L505 HydrophobicContact CG-CG 4.34Å; E501-L505 VanDerWaalsContact O-CG 3.31Å; E501-L505 WeakPolarHBondContact O-CG 3.49Å; E501-L505 PolarHBondContact O-N 2.96Å
502	E	77.4	Confident	69.6	Low	138 Å²	138	79.7 Å²	79.7	65%	0.645	39%	0.391	S	S	*	.	H	α-helix	trans	-58.4	-50.1	177.9	-62.9	171.9	-171.9	0	0	111.6	K500 I504 L505 D506	K500-E502 VanDerWaalsContact C-N 3.25Å; K500-E502 PolarHBondContact O-N 3.26Å; E502-I504 VanDerWaalsContact C-N 3.27Å; E502-I504 PolarHBondContact O-N 2.84Å; E502-L505 PolarHBondContact O-N 3.29Å; E502-L505 VanDerWaalsContact O-N 3.14Å; E502-D506 PolarHBondContact O-N 3.42Å
503	D	80.7	Confident	71.4	Confident	70 Å²	70	78.1 Å²	78.1	37%	0.374	38%	0.382	S	S	.	.	H	α-helix	trans	-60	-36.5	179.5	-50.7	-40.4	0	0	0	112.4	M499 K500 L507	M499-D503 HydrophobicContact CE-CB 3.89Å; K500-D503 WeakPolarHBondContact CB-OD2 3.41Å; K500-D503 PolarHBondContact N-OD2 3.48Å; K500-D503 PolarHBondContact O-N 3.43Å; D503-L507 WeakPolarHBondContact O-CG 3.43Å; D503-L507 PolarHBondContact O-N 2.83Å; D503-L507 VanDerWaalsContact O-N 3.12Å
504	I	75.6	Confident	73	Confident	0 Å²	0	74 Å²	74	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-72.6	-39.3	179.1	-63.1	158.2	0	0	0	110.7	L430 R433 L434 V437 M499 K500 E501 E502 L507 L508	L430-I504 HydrophobicContact CB-CG2 4.31Å; L430-I504 HydrophobicContact CD2-CG2 4.14Å; L430-I504 WeakPolarHBondContact O-CG2 3.31Å; R433-I504 HydrophobicContact CB-CD1 4.44Å; R433-I504 HydrophobicContact CG-CD1 3.54Å; R433-I504 HydrophobicContact CG-CG1 4.14Å; L434-I504 HydrophobicContact CB-CG2 3.92Å; V437-I504 HydrophobicContact CB-CD1 4.43Å; V437-I504 HydrophobicContact CG2-CD1 3.7Å; M499-I504 HydrophobicContact CB-CD1 4.14Å; M499-I504 HydrophobicContact CB-CG1 3.88Å; M499-I504 HydrophobicContact CE-CG1 3.85Å; M499-I504 HydrophobicContact SD-CG1 4.28Å; K500-I504 WeakPolarHBondContact O-CD1 3.36Å; K500-I504 WeakPolarHBondContact O-CG1 3.44Å; K500-I504 PolarHBondContact O-N 3.19Å; K500-I504 VanDerWaalsContact O-N 3.16Å; E501-I504 PolarHBondContact O-N 2.96Å; E502-I504 VanDerWaalsContact C-N 3.27Å; E502-I504 PolarHBondContact O-N 2.84Å; I504-L507 PolarHBondContact O-N 3.47Å; I504-L508 HydrophobicContact CG2-CD1 4.22Å; I504-L508 WeakPolarHBondContact O-CB 3.47Å; I504-L508 WeakPolarHBondContact O-CG 3.5Å; I504-L508 PolarHBondContact O-N 3.28Å
505	L	79.2	Confident	74.3	Confident	46 Å²	46	72.4 Å²	72.4	24%	0.241	35%	0.352	C	S	.	.	H	α-helix	trans	-64.5	-43	176.3	-71.2	171	0	0	0	111	L434 E501 E502 L507 L508 E509	L434-L505 HydrophobicContact CD1-CD2 4.21Å; L434-L505 HydrophobicContact CD1-CG 4.26Å; L434-L505 HydrophobicContact CD2-CD2 3.72Å; E501-L505 HydrophobicContact CG-CD1 3.83Å; E501-L505 HydrophobicContact CG-CG 4.34Å; E501-L505 VanDerWaalsContact O-CG 3.31Å; E501-L505 WeakPolarHBondContact O-CG 3.49Å; E501-L505 PolarHBondContact O-N 2.96Å; E502-L505 PolarHBondContact O-N 3.29Å; E502-L505 VanDerWaalsContact O-N 3.14Å; L505-L507 PolarHBondContact O-N 3.15Å; L505-L508 WeakPolarHBondContact O-CB 3.4Å; L505-L508 PolarHBondContact O-N 3.47Å; L505-E509 PolarHBondContact O-N 3.32Å
506	D	82.7	Confident	75.9	Confident	101 Å²	101	72.2 Å²	72.2	54%	0.54	34%	0.341	S	S	.	.	H	α-helix	trans	-62.1	-42.4	176.2	-71	-7.2	0	0	0	111.4	E502 L508 E509 Q510	E502-D506 PolarHBondContact O-N 3.42Å; D506-L508 PolarHBondContact O-N 2.99Å; D506-E509 PolarHBondContact O-N 2.91Å; D506-Q510 PolarHBondContact O-N 2.84Å
507	L	82	Confident	77.2	Confident	53 Å²	53	73.3 Å²	73.3	28%	0.277	34%	0.342	S	S	.	.	H	α-helix	trans	-66.8	-34	174.8	-74.5	-170.3	0	0	0	113.3	L430 M499 D503 I504 L505 Q510 C511	L430-L507 HydrophobicContact CD1-CB 3.79Å; L430-L507 HydrophobicContact CD2-CB 4.08Å; L430-L507 HydrophobicContact CD2-CD1 3.99Å; M499-L507 HydrophobicContact CE-CD1 3.32Å; M499-L507 HydrophobicContact CE-CG 4.1Å; M499-L507 HydrophobicContact SD-CD1 4.32Å; D503-L507 WeakPolarHBondContact O-CG 3.43Å; D503-L507 PolarHBondContact O-N 2.83Å; D503-L507 VanDerWaalsContact O-N 3.12Å; I504-L507 PolarHBondContact O-N 3.47Å; L505-L507 PolarHBondContact O-N 3.15Å; L507-Q510 PolarHBondContact O-N 3.35Å; L507-C511 PolarHBondContact O-N 3.48Å; L507-C511 PolarHBondContact O-SG 3.32Å
508	L	80.6	Confident	78	Confident	17 Å²	17	70.5 Å²	70.5	9%	0.089	33%	0.332	C	S	.	.	H	α-helix	trans	-66.9	-43.4	174.8	-80.8	169.4	0	0	0	111	L430 K431 L434 I504 L505 D506 Q510 C511 E512	L430-L508 HydrophobicContact CB-CD1 4.37Å; L430-L508 HydrophobicContact CB-CD2 3.46Å; L430-L508 VanDerWaalsContact CB-CD2 3.46Å; L430-L508 HydrophobicContact CB-CG 3.73Å; L430-L508 HydrophobicContact CD1-CD2 4.03Å; L430-L508 HydrophobicContact CD1-CG 4.15Å; L430-L508 HydrophobicContact CG-CD2 4.41Å; K431-L508 HydrophobicContact CG-CD2 4.13Å; L434-L508 HydrophobicContact CD2-CD1 4.1Å; I504-L508 HydrophobicContact CG2-CD1 4.22Å; I504-L508 WeakPolarHBondContact O-CB 3.47Å; I504-L508 WeakPolarHBondContact O-CG 3.5Å; I504-L508 PolarHBondContact O-N 3.28Å; L505-L508 WeakPolarHBondContact O-CB 3.4Å; L505-L508 PolarHBondContact O-N 3.47Å; D506-L508 PolarHBondContact O-N 2.99Å; L508-Q510 VanDerWaalsContact C-N 3.34Å; L508-C511 WeakPolarHBondContact O-CB 3.32Å; L508-C511 PolarHBondContact O-N 3.44Å; L508-C511 VanDerWaalsContact O-N 3.17Å; L508-E512 PolarHBondContact O-N 3.21Å
509	E	83	Confident	78.6	Confident	103 Å²	103	66.6 Å²	66.6	48%	0.481	32%	0.322	S	S	.	.	H	α-helix	trans	-61.3	-42.8	174.6	-175.9	169.4	-165.5	0	0	111	L505 D506 C511 E512 I513	L505-E509 PolarHBondContact O-N 3.32Å; D506-E509 PolarHBondContact O-N 2.91Å; E509-C511 VanDerWaalsContact C-N 3.31Å; E509-C511 PolarHBondContact O-N 2.89Å; E509-E512 WeakPolarHBondContact O-CB 3.47Å; E509-E512 PolarHBondContact O-N 3.5Å; E509-E512 VanDerWaalsContact O-N 3.08Å; E509-I513 HydrophobicContact CG-CD1 4.25Å; E509-I513 WeakPolarHBondContact O-CG1 3.04Å; E509-I513 PolarHBondContact O-N 3.16Å
510	Q	81.5	Confident	78.3	Confident	83 Å²	83	68.2 Å²	68.2	39%	0.388	35%	0.348	S	S	.	.	H	α-helix	trans	-59.9	-41.2	173.8	-172.6	59.4	50.8	0	0	111.9	D506 L507 L508 E512 I513 D514	D506-Q510 PolarHBondContact O-N 2.84Å; L507-Q510 PolarHBondContact O-N 3.35Å; L508-Q510 VanDerWaalsContact C-N 3.34Å; Q510-E512 VanDerWaalsContact C-N 3.29Å; Q510-E512 PolarHBondContact O-N 2.88Å; Q510-I513 PolarHBondContact O-N 3.5Å; Q510-D514 PolarHBondContact NE2-OD1 3.41Å; Q510-D514 WeakPolarHBondContact O-CB 2.98Å; Q510-D514 VanDerWaalsContact O-CG 3.23Å; Q510-D514 PolarHBondContact O-N 2.95Å
511	C	81.9	Confident	77.5	Confident	1 Å²	1	68.3 Å²	68.3	1%	0.007	35%	0.348	C	S	.	.	H	α-helix	trans	-66.6	-29.8	176	-66.2	0	0	0	0	112.6	L423 K427 L507 L508 E509 D515	L423-C511 HydrophobicContact CD1-CB 3.82Å; K427-C511 HydrophobicContact CD-CB 4.32Å; K427-C511 VanDerWaalsContact CE-C 3.45Å; K427-C511 WeakPolarHBondContact CE-O 3.36Å; K427-C511 HydrophobicContact CG-CB 3.6Å; L507-C511 PolarHBondContact O-N 3.48Å; L507-C511 PolarHBondContact O-SG 3.32Å; L508-C511 WeakPolarHBondContact O-CB 3.32Å; L508-C511 PolarHBondContact O-N 3.44Å; L508-C511 VanDerWaalsContact O-N 3.17Å; E509-C511 VanDerWaalsContact C-N 3.31Å; E509-C511 PolarHBondContact O-N 2.89Å; C511-D515 WeakPolarHBondContact O-CB 3.23Å; C511-D515 PolarHBondContact O-N 2.98Å
512	E	82	Confident	75.7	Confident	86 Å²	86	72.4 Å²	72.4	40%	0.402	38%	0.377	S	S	.	.	H	α-helix	trans	-69.9	-43.2	172.8	-70.6	-178.7	163.2	0	0	111.2	L508 E509 Q510 D514 D515 E516 Y535	L508-E512 PolarHBondContact O-N 3.21Å; E509-E512 WeakPolarHBondContact O-CB 3.47Å; E509-E512 PolarHBondContact O-N 3.5Å; E509-E512 VanDerWaalsContact O-N 3.08Å; Q510-E512 VanDerWaalsContact C-N 3.29Å; Q510-E512 PolarHBondContact O-N 2.88Å; E512-D514 PolarHBondContact O-N 2.81Å; E512-D515 WeakPolarHBondContact O-CB 3.15Å; E512-D515 PolarHBondContact O-N 3.32Å; E512-E516 WeakPolarHBondContact O-CG 3.47Å; E512-E516 PolarHBondContact O-N 2.98Å; E512-Y535 PolarHBondContact OE2-OH 3.07Å
513	I	81.8	Confident	74.2	Confident	54 Å²	54	69.6 Å²	69.6	28%	0.277	37%	0.369	S	S	.	.	H	α-helix	trans	-61.6	-43.8	175.8	-66.5	165.9	0	0	0	111.1	E509 Q510 D515 E516 K517	E509-I513 HydrophobicContact CG-CD1 4.25Å; E509-I513 WeakPolarHBondContact O-CG1 3.04Å; E509-I513 PolarHBondContact O-N 3.16Å; Q510-I513 PolarHBondContact O-N 3.5Å; I513-D515 VanDerWaalsContact C-N 3.31Å; I513-D515 PolarHBondContact O-N 2.96Å; I513-E516 PolarHBondContact O-N 3.38Å; I513-K517 HydrophobicContact CG2-CD 4.36Å; I513-K517 WeakPolarHBondContact O-CG 3.36Å; I513-K517 PolarHBondContact O-N 2.97Å
514	D	80	Confident	72.4	Confident	49 Å²	49	75.4 Å²	75.4	26%	0.262	39%	0.391	S	S	.	.	H	α-helix	trans	-67.4	-33.6	179.9	-66.6	-20.5	0	0	0	111.7	L423 Q510 E512 K517 L518	L423-D514 HydrophobicContact CD1-CB 4.21Å; L423-D514 HydrophobicContact CD2-CB 4.26Å; Q510-D514 PolarHBondContact NE2-OD1 3.41Å; Q510-D514 WeakPolarHBondContact O-CB 2.98Å; Q510-D514 VanDerWaalsContact O-CG 3.23Å; Q510-D514 PolarHBondContact O-N 2.95Å; E512-D514 PolarHBondContact O-N 2.81Å; D514-K517 PolarHBondContact O-N 3.02Å; D514-K517 IonicContact OD1-NZ 3.47Å; D514-L518 WeakPolarHBondContact O-CB 3.34Å; D514-L518 WeakPolarHBondContact O-CD1 3.39Å; D514-L518 PolarHBondContact O-N 3.44Å
515	D	80.2	Confident	70.6	Confident	32 Å²	32	82.2 Å²	82.2	17%	0.171	43%	0.433	C	S	.	.	H	α-helix	trans	-67.6	-41.4	173.9	-166.5	38.2	0	0	0	111.2	L423 K427 C511 E512 I513 K517 L518 M519	L423-D515 VanDerWaalsContact CD2-CA 3.5Å; L423-D515 HydrophobicContact CD2-CB 3.54Å; K427-D515 VanDerWaalsContact NZ-CG 3.28Å; K427-D515 IonicContact NZ-OD2 3.65Å; K427-D515 PolarHBondContact NZ-OD2 2.94Å; C511-D515 WeakPolarHBondContact O-CB 3.23Å; C511-D515 PolarHBondContact O-N 2.98Å; E512-D515 WeakPolarHBondContact O-CB 3.15Å; E512-D515 PolarHBondContact O-N 3.32Å; I513-D515 VanDerWaalsContact C-N 3.31Å; I513-D515 PolarHBondContact O-N 2.96Å; D515-K517 VanDerWaalsContact C-N 3.34Å; D515-K517 PolarHBondContact O-N 3.15Å; D515-L518 PolarHBondContact O-N 3.05Å; D515-M519 WeakPolarHBondContact O-CB 3.3Å; D515-M519 WeakPolarHBondContact O-CG 3.38Å; D515-M519 PolarHBondContact O-N 3.28Å
516	E	80.4	Confident	68.8	Low	100 Å²	100	90 Å²	90	47%	0.467	46%	0.459	S	S	.	.	H	α-helix	trans	-62.6	-40.1	174.5	-72.6	-172.4	162.8	0	0	112.3	E512 I513 M519 G520 K521	E512-E516 WeakPolarHBondContact O-CG 3.47Å; E512-E516 PolarHBondContact O-N 2.98Å; I513-E516 PolarHBondContact O-N 3.38Å; E516-M519 PolarHBondContact O-N 3.27Å; E516-G520 PolarHBondContact O-N 3.1Å; E516-K521 PolarHBondContact O-N 2.95Å; E516-K521 VanDerWaalsContact O-N 3.15Å
517	K	78.1	Confident	66.7	Low	114 Å²	114	87.6 Å²	87.6	50%	0.496	46%	0.459	S	S	.	.	H	α-helix	trans	-64.7	-44.9	173.8	-71.7	173.1	-175.9	168.7	0	111.9	I513 D514 D515 M519 G520 T523	I513-K517 HydrophobicContact CG2-CD 4.36Å; I513-K517 WeakPolarHBondContact O-CG 3.36Å; I513-K517 PolarHBondContact O-N 2.97Å; D514-K517 PolarHBondContact O-N 3.02Å; D514-K517 IonicContact OD1-NZ 3.47Å; D515-K517 VanDerWaalsContact C-N 3.34Å; D515-K517 PolarHBondContact O-N 3.15Å; K517-M519 PolarHBondContact O-N 3.41Å; K517-G520 PolarHBondContact O-N 3.07Å; K517-T523 HydrophobicContact CG-CG2 4.25Å
518	L	75.2	Confident	64.6	Low	37 Å²	37	91.8 Å²	91.8	19%	0.194	49%	0.489	C	S	.	.	H	α-helix	trans	-61	-27.4	175.4	-92.7	151.3	0	0	0	112.9	W416 Q419 L423 D514 D515 G520	W416-L518 HydrophobicContact CG-CD2 4.48Å; W416-L518 PolarHBondContact NE1-O 3.45Å; Q419-L518 HydrophobicContact CB-CD1 4.4Å; Q419-L518 HydrophobicContact CB-CD2 3.89Å; L423-L518 HydrophobicContact CD2-CD1 3.81Å; D514-L518 WeakPolarHBondContact O-CB 3.34Å; D514-L518 WeakPolarHBondContact O-CD1 3.39Å; D514-L518 PolarHBondContact O-N 3.44Å; D515-L518 PolarHBondContact O-N 3.05Å; L518-G520 VanDerWaalsContact C-N 3.3Å
519	M	70.5	Confident	62.6	Low	95 Å²	95	98.6 Å²	98.6	47%	0.468	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	8.1	177	-66.2	-71	-69.5	0	0	113.3	W416 D515 E516 K517 K521	W416-M519 HydrophobicContact CZ2-SD 4.21Å; D515-M519 WeakPolarHBondContact O-CB 3.3Å; D515-M519 WeakPolarHBondContact O-CG 3.38Å; D515-M519 PolarHBondContact O-N 3.28Å; E516-M519 PolarHBondContact O-N 3.27Å; K517-M519 PolarHBondContact O-N 3.41Å; M519-K521 PolarHBondContact O-N 3.45Å
520	G	60.7	Low	60.3	Low	69 Å²	69	97 Å²	97	71%	0.711	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.5	17.2	176.6	0	0	0	0	0	114.5	E516 K517 L518	E516-G520 PolarHBondContact O-N 3.1Å; K517-G520 PolarHBondContact O-N 3.07Å; L518-G520 VanDerWaalsContact C-N 3.3Å
521	K	54.4	Low	58.6	Low	137 Å²	137	103.9 Å²	103.9	60%	0.596	55%	0.551	S	S	*	*			trans	-83.4	120.5	176.2	-68.1	179.3	179.6	173.8	0	108.7	E516 M519 T523	E516-K521 PolarHBondContact O-N 2.95Å; E516-K521 VanDerWaalsContact O-N 3.15Å; M519-K521 PolarHBondContact O-N 3.45Å; K521-T523 PolarHBondContact O-N 3.12Å
522	T	42.8	Very low	56.8	Low	135 Å²	135	110.7 Å²	110.7	83%	0.828	59%	0.586	S	S	*	*			trans	-60.9	119.3	172.3	35.8	0	0	0	0	109.5	K524	T522-K524 PolarHBondContact O-N 3.22Å
523	T	45.5	Very low	54.8	Low	79 Å²	79	111.3 Å²	111.3	49%	0.485	60%	0.596	S	S	.	*			trans	-62	101.2	174.1	45.6	0	0	0	0	108.5	K517 K521 T525	K517-T523 HydrophobicContact CG-CG2 4.25Å; K521-T523 PolarHBondContact O-N 3.12Å; T523-T525 PolarHBondContact O-N 3.19Å; T523-T525 VanDerWaalsContact O-N 3.08Å
524	K	41.3	Very low	52.6	Low	192 Å²	192	116.1 Å²	116.1	84%	0.835	62%	0.617	S	S	*	*			trans	-61.8	112.5	163.6	-80	-173	176.6	-178.7	0	107	T522 R526	T522-K524 PolarHBondContact O-N 3.22Å; K524-R526 VanDerWaalsContact C-N 3.34Å; K524-R526 PolarHBondContact O-N 2.91Å
525	T	39.3	Very low	50.6	Low	143 Å²	143	119.6 Å²	119.6	88%	0.877	63%	0.627	S	S	*	*			trans	-52.9	97.1	167.9	24.1	0	0	0	0	108.9	T523 G527	T523-T525 PolarHBondContact O-N 3.19Å; T523-T525 VanDerWaalsContact O-N 3.08Å; T525-G527 PolarHBondContact O-N 3.07Å
526	R	41.5	Very low	48.6	Very low	210 Å²	210	122.2 Å²	122.2	79%	0.792	64%	0.644	S	S	*	*			trans	-78.9	112	162.3	-76.8	-177.7	170.1	177.4	0.8	105.8	K524	K524-R526 VanDerWaalsContact C-N 3.34Å; K524-R526 PolarHBondContact O-N 2.91Å
527	G	37.4	Very low	46.4	Very low	51 Å²	51	122.8 Å²	122.8	53%	0.526	65%	0.654	S	S	.	*			trans	-53.4	170.1	171.4	0	0	0	0	0	112.3	T525 K529	T525-G527 PolarHBondContact O-N 3.07Å; G527-K529 PolarHBondContact O-N 2.71Å
528	P	39.3	Very low	44.3	Very low	141 Å²	141	126.5 Å²	126.5	92%	0.916	67%	0.67	S	S	*	*			trans	-60.3	101.6	-163	26	-33.3	0	0	0	110.3
529	K	38.7	Very low	42.4	Very low	159 Å²	159	129.7 Å²	129.7	69%	0.691	69%	0.687	S	S	*	*			trans	-89.3	123.6	168.8	-78.7	-170.5	173.8	-171.8	0	107.5	G527 R531	G527-K529 PolarHBondContact O-N 2.71Å; K529-R531 PolarHBondContact O-N 3.11Å
530	G	34.2	Very low	40.8	Very low	69 Å²	69	133.3 Å²	133.3	71%	0.711	70%	0.7	S	S	*	*			trans	-45.4	133.6	177.2	0	0	0	0	0	112.1
531	R	45.7	Very low	39.4	Very low	229 Å²	229	139 Å²	139	86%	0.864	71%	0.705	S	S	*	*	S	Bend	trans	-42.7	145.5	175.8	-80.4	178.2	167.3	177.7	-5.3	113.3	K529	K529-R531 PolarHBondContact O-N 3.11Å
532	I	44.8	Very low	38.4	Very low	143 Å²	143	140 Å²	140	73%	0.733	72%	0.718	S	S	*	*	S	Bend	trans	90.2	-20.8	149.4	-62.6	151.4	0	0	0	120.1
533	T	40	Very low	37.9	Very low	99 Å²	99	143.2 Å²	143.2	61%	0.607	74%	0.737	S	S	*	*	S	Bend	trans	-91.9	-16.3	-165.9	47.2	0	0	0	0	118.3
534	H	35.5	Very low	37.5	Very low	156 Å²	156	146.4 Å²	146.4	72%	0.722	75%	0.75	S	S	*	*	H	α-helix	trans	-86	-22.7	-171.6	-92.2	67.2	0	0	0	115.8
535	Y	38.1	Very low	37.3	Very low	122 Å²	122	144 Å²	144	48%	0.478	75%	0.745	S	S	.	*	H	α-helix	trans	-79.5	-19.1	177.9	-101.7	-82.1	0	0	0	113.5	E512	E512-Y535 PolarHBondContact OE2-OH 3.07Å
536	V	38.2	Very low	37.2	Very low	87 Å²	87	144.1 Å²	144.1	53%	0.527	74%	0.738	S	S	.	*	H	α-helix	trans	-71.5	-33.2	178.3	-177.7	0	0	0	0	111.4	F540	V536-F540 HydrophobicContact CG1-CE2 4.44Å; V536-F540 WeakPolarHBondContact O-CD2 3.45Å
537	V	34	Very low	37	Very low	112 Å²	112	140.2 Å²	140.2	68%	0.679	73%	0.734	S	S	*	*	H	α-helix	trans	-86.3	-24	-170.3	-178	0	0	0	0	113.7
538	K	33.4	Very low	36.9	Very low	192 Å²	192	145.8 Å²	145.8	84%	0.835	75%	0.747	S	S	*	*	H	α-helix	trans	-86	-20.5	-173.9	-123.8	177.5	-178	-179.3	0	114.8
539	L	34.7	Very low	36.8	Very low	104 Å²	104	146.1 Å²	146.1	55%	0.545	74%	0.736	S	S	.	*	S	Bend	trans	-91.1	-13.5	-179.7	-86.4	158.8	0	0	0	114.4	K541	L539-K541 VanDerWaalsContact C-N 3.27Å; L539-K541 PolarHBondContact O-N 3.03Å
540	F	36.6	Very low	36.7	Very low	171 Å²	171	145.1 Å²	145.1	75%	0.75	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	2.4	179.3	-93.6	-84.7	0	0	0	115.3	V536	V536-F540 HydrophobicContact CG1-CE2 4.44Å; V536-F540 WeakPolarHBondContact O-CD2 3.45Å
541	K	31.2	Very low	36.8	Very low	188 Å²	188	151 Å²	151	82%	0.817	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102	-0.9	179.8	-82.5	-170	176.2	-177.7	0	115.8	L539	L539-K541 VanDerWaalsContact C-N 3.27Å; L539-K541 PolarHBondContact O-N 3.03Å
542	N	34.1	Very low	36.1	Very low	159 Å²	159	144.5 Å²	144.5	85%	0.85	73%	0.731	S	S	*	*			trans	-144.2	56.6	178.8	-89	-22.6	0	0	0	114
543	T	32.8	Very low	35.3	Very low	201 Å²	201	144.6 Å²	144.6	100%	1.233	73%	0.731	S	S	*	*			trans	-140.3	0	158.8	35.3	0	0	0	0	110.8

Retrieved 543 of 543 residues in 107.6 ms (Link to these results)

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