A0A087XS21_POEFO Loading...

Protein O-glucosyltransferase 3

AlphaFold DB , UniProt , Accession A0A087XS21, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 519 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	25.3	Very low	28.9	Very low	240 Å²	240	134.4 Å²	134.4	100%	1.182	81%	0.81	S	S	*	*				0	138.3	0	-82.7	177.6	168.2	0	0	108.1
2	P	42.6	Very low	28.8	Very low	109 Å²	109	130.8 Å²	130.8	71%	0.708	81%	0.805	S	S	*	*			cis	-134.8	173.1	-45.8	39.6	-25.5	0	0	0	112.1
3	C	27.5	Very low	28.8	Very low	106 Å²	106	133.9 Å²	133.9	72%	0.716	81%	0.809	S	S	*	*			trans	66.2	155.5	145	-72.1	0	0	0	0	118.6
4	K	31.4	Very low	29	Very low	195 Å²	195	138.1 Å²	138.1	85%	0.848	82%	0.815	S	S	*	*			cis	-175.8	151.5	-15.3	-112.4	177.3	176.2	178.3	0	103.5
5	G	27.8	Very low	29	Very low	69 Å²	69	144.2 Å²	144.2	71%	0.711	82%	0.819	S	S	*	*			trans	87.8	107.1	133.4	0	0	0	0	0	119.1
6	S	27.5	Very low	29.1	Very low	119 Å²	119	144.1 Å²	144.1	83%	0.832	81%	0.813	S	S	*	*				62	111.6	107.2	179.9	0	0	0	0	119.8
7	A	27.2	Very low	29	Very low	78 Å²	78	143.8 Å²	143.8	65%	0.645	81%	0.808	S	S	*	*			trans	88.7	125.6	130.1	0	0	0	0	0	120.4
8	D	28.7	Very low	29	Very low	147 Å²	147	144 Å²	144	79%	0.786	81%	0.805	S	S	*	*			trans	100.8	140.3	134.6	-72.4	-25.7	0	0	0	122.4
9	L	29.5	Very low	29.1	Very low	149 Å²	149	141.3 Å²	141.3	78%	0.78	80%	0.797	S	S	*	*			trans	87.1	92.7	159.5	-69.6	124.5	0	0	0	117.6
10	L	25.4	Very low	29.3	Very low	163 Å²	163	141.3 Å²	141.3	85%	0.853	79%	0.794	S	S	*	*				72.5	105.8	77.1	-83.7	158.1	0	0	0	114.7
11	A	25.5	Very low	29.3	Very low	103 Å²	103	140.7 Å²	140.7	85%	0.851	80%	0.798	S	S	*	*			trans	136	126.3	151.7	0	0	0	0	0	108.3
12	A	26.8	Very low	29.6	Very low	91 Å²	91	135.3 Å²	135.3	75%	0.752	78%	0.779	S	S	*	*			cis	-163.4	174	19.3	0	0	0	0	0	109.4
13	M	29.4	Very low	29	Very low	172 Å²	172	137.4 Å²	137.4	85%	0.847	78%	0.783	S	S	*	*			trans	97.8	75.7	166.1	-53.4	-173	72.9	0	0	117.4	R15	M13-R15 PolarHBondContact O-N 3.32Å
14	Q	30.8	Very low	29.2	Very low	192 Å²	192	139.3 Å²	139.3	90%	0.897	79%	0.785	S	S	*	*				32.4	83.9	123.5	-74.1	169.4	-37.6	0	0	118.6
15	R	30	Very low	29.2	Very low	230 Å²	230	134.9 Å²	134.9	87%	0.868	77%	0.774	S	S	*	*				41.5	119.4	114.1	-82	-170.7	-171.5	-159.2	2.9	121	M13	M13-R15 PolarHBondContact O-N 3.32Å
16	I	29.7	Very low	29.6	Very low	142 Å²	142	136.4 Å²	136.4	73%	0.728	77%	0.77	S	S	*	*			trans	87.4	106.6	144.6	-46.4	153.2	0	0	0	116
17	L	28	Very low	29.7	Very low	139 Å²	139	138.2 Å²	138.2	73%	0.728	77%	0.769	S	S	*	*				168.5	124.4	109.4	-108.3	108.7	0	0	0	109.7
18	I	29.8	Very low	30.1	Very low	148 Å²	148	143.8 Å²	143.8	76%	0.759	78%	0.779	S	S	*	*			trans	51.3	117.3	142	-49	-177	0	0	0	118
19	S	30.6	Very low	30.1	Very low	92 Å²	92	139.5 Å²	139.5	64%	0.643	77%	0.77	S	S	*	*				169.2	133.6	111.3	-160.3	0	0	0	0	112.9
20	N	32.1	Very low	30.4	Very low	141 Å²	141	137.4 Å²	137.4	75%	0.754	77%	0.765	S	S	*	*			trans	69.8	93.2	152.2	-63.4	-16.4	0	0	0	121.1
21	C	29.8	Very low	31	Very low	129 Å²	129	137.8 Å²	137.8	87%	0.872	77%	0.768	S	S	*	*			trans	-149.7	101	131.7	-102.6	0	0	0	0	109	L23	C21-L23 PolarHBondContact O-N 2.72Å
22	V	32.6	Very low	31.3	Very low	128 Å²	128	139 Å²	139	78%	0.776	76%	0.76	S	S	*	*			trans	-75.9	105.2	171.6	174	0	0	0	0	107.7
23	L	29.3	Very low	31.8	Very low	152 Å²	152	140.3 Å²	140.3	80%	0.796	76%	0.76	S	S	*	*			trans	-93.8	108.9	163.3	-130.8	100.5	0	0	0	107.4	C21 V25	C21-L23 PolarHBondContact O-N 2.72Å; L23-V25 HydrophobicContact CD2-CG2 4.39Å; L23-V25 PolarHBondContact O-N 2.93Å; L23-V25 VanDerWaalsContact O-N 3.11Å
24	L	30.3	Very low	31.9	Very low	146 Å²	146	137.3 Å²	137.3	76%	0.764	75%	0.752	S	S	*	*			trans	-79.9	90.2	178.2	-143.5	131.3	0	0	0	108.3	V26	L24-V26 HydrophobicContact CD2-CG2 3.94Å; L24-V26 PolarHBondContact O-N 2.79Å
25	V	32	Very low	32.3	Very low	102 Å²	102	133.7 Å²	133.7	62%	0.618	75%	0.747	S	S	*	*			trans	-81.8	102.5	170.5	-179.5	0	0	0	0	107.7	L23 L27	L23-V25 HydrophobicContact CD2-CG2 4.39Å; L23-V25 PolarHBondContact O-N 2.93Å; L23-V25 VanDerWaalsContact O-N 3.11Å; V25-L27 HydrophobicContact CG1-CG 4.2Å; V25-L27 PolarHBondContact O-N 2.79Å; V25-L27 VanDerWaalsContact O-N 3.12Å
26	V	36.1	Very low	32.8	Very low	102 Å²	102	129.5 Å²	129.5	62%	0.618	74%	0.738	S	S	*	*			trans	-71.5	99	167.1	178.5	0	0	0	0	107.5	L24 F28	L24-V26 HydrophobicContact CD2-CG2 3.94Å; L24-V26 PolarHBondContact O-N 2.79Å; V26-F28 HydrophobicContact CG1-CD2 4.12Å; V26-F28 HydrophobicContact CG1-CE2 4.07Å; V26-F28 PolarHBondContact O-N 3.04Å
27	L	30.4	Very low	33.5	Very low	156 Å²	156	128.1 Å²	128.1	82%	0.817	74%	0.74	S	S	*	*			trans	-76.8	102.6	168.4	-78.5	162.4	0	0	0	108.6	V25 G29	V25-L27 HydrophobicContact CG1-CG 4.2Å; V25-L27 PolarHBondContact O-N 2.79Å; V25-L27 VanDerWaalsContact O-N 3.12Å; L27-G29 VanDerWaalsContact C-N 3.31Å; L27-G29 PolarHBondContact O-N 2.91Å
28	F	34.7	Very low	35.1	Very low	196 Å²	196	124.3 Å²	124.3	86%	0.86	72%	0.719	S	S	*	*			trans	-67.8	94	157.4	-85.3	-87.5	0	0	0	108.1	V26	V26-F28 HydrophobicContact CG1-CD2 4.12Å; V26-F28 HydrophobicContact CG1-CE2 4.07Å; V26-F28 PolarHBondContact O-N 3.04Å
29	G	29.9	Very low	37.7	Very low	57 Å²	57	119.1 Å²	119.1	59%	0.588	70%	0.702	S	S	*	*			trans	-73.6	130.5	163.8	0	0	0	0	0	109.1	L27 N31	L27-G29 VanDerWaalsContact C-N 3.31Å; L27-G29 PolarHBondContact O-N 2.91Å; G29-N31 PolarHBondContact O-N 3.3Å
30	P	35.6	Very low	40.8	Very low	105 Å²	105	116 Å²	116	68%	0.682	68%	0.678	S	S	*	*			trans	-66.8	118.7	168	28.3	-29.5	0	0	0	107.4	L32	P30-L32 HydrophobicContact CG-CD1 4.31Å; P30-L32 PolarHBondContact O-N 3.22Å
31	N	36.9	Very low	43.8	Very low	171 Å²	171	109.7 Å²	109.7	91%	0.914	64%	0.644	S	S	*	*			trans	-66.8	78	160.4	-84.9	-26.4	0	0	0	107.7	G29	G29-N31 PolarHBondContact O-N 3.3Å
32	L	32.3	Very low	47	Very low	129 Å²	129	104.3 Å²	104.3	68%	0.675	61%	0.608	S	S	*	*			trans	-65.7	135.7	159.1	-82.5	153.7	0	0	0	107.1	P30 V34	P30-L32 HydrophobicContact CG-CD1 4.31Å; P30-L32 PolarHBondContact O-N 3.22Å; L32-V34 PolarHBondContact O-N 3.3Å
33	P	36.8	Very low	50.1	Low	117 Å²	117	104.4 Å²	104.4	76%	0.76	60%	0.6	S	S	*	*			trans	-65.4	108	166.6	28.2	-28.5	0	0	0	105.9	S35	P33-S35 PolarHBondContact O-N 3.45Å
34	V	32	Very low	53.3	Low	110 Å²	110	103.2 Å²	103.2	67%	0.667	59%	0.585	S	S	*	*			trans	-64.2	92.6	167.6	177.1	0	0	0	0	106	L32 E36	L32-V34 PolarHBondContact O-N 3.3Å; V34-E36 HydrophobicContact CG1-CB 3.82Å; V34-E36 HydrophobicContact CG1-CG 3.5Å; V34-E36 VanDerWaalsContact CG1-CG 3.5Å; V34-E36 PolarHBondContact O-N 2.95Å
35	S	40.2	Very low	56.6	Low	116 Å²	116	96.5 Å²	96.5	81%	0.811	55%	0.55	S	S	*	*			trans	-73.1	66.5	157.8	169.8	0	0	0	0	107.2	P33 S37	P33-S35 PolarHBondContact O-N 3.45Å; S35-S37 PolarHBondContact O-N 2.86Å
36	E	38.6	Very low	59.7	Low	142 Å²	142	95.4 Å²	95.4	66%	0.664	54%	0.54	S	S	*	.			trans	-73.2	113.8	154.7	-89.9	173.9	177.4	0	0	105.4	V34 E38	V34-E36 HydrophobicContact CG1-CB 3.82Å; V34-E36 HydrophobicContact CG1-CG 3.5Å; V34-E36 VanDerWaalsContact CG1-CG 3.5Å; V34-E36 PolarHBondContact O-N 2.95Å; E36-E38 PolarHBondContact O-N 3.29Å
37	S	46.4	Very low	62.7	Low	112 Å²	112	91.5 Å²	91.5	78%	0.783	52%	0.516	S	S	*	.			trans	-62.9	88	160.7	61.3	0	0	0	0	106.3	S35 G39	S35-S37 PolarHBondContact O-N 2.86Å; S37-G39 PolarHBondContact O-N 2.81Å
38	E	60	Low	65.9	Low	59 Å²	59	89.3 Å²	89.3	28%	0.276	50%	0.497	S	S	.	.			trans	-55.1	101.5	162.4	-85.4	-172.5	-155.4	0	0	105.5	E36 I40 S69 R73	E36-E38 PolarHBondContact O-N 3.29Å; E38-I40 PolarHBondContact O-N 3.08Å; E38-S69 WeakPolarHBondContact OE2-CB 3.19Å; E38-S69 PolarHBondContact OE2-OG 2.99Å; E38-R73 IonicContact OE1-CZ 2.94Å; E38-R73 IonicContact OE1-NH1 3.91Å; E38-R73 PolarHBondContact OE1-NH1 2.48Å; E38-R73 IonicContact OE1-NH2 3.47Å; E38-R73 PolarHBondContact OE1-NH2 3.41Å; E38-R73 IonicContact OE2-CZ 3.93Å; E38-R73 IonicContact OE2-NH1 2.75Å; E38-R73 IonicContact OE2-NH2 2.87Å
39	G	85.2	Confident	68.9	Low	39 Å²	39	81.2 Å²	81.2	40%	0.402	47%	0.469	S	S	.	.			trans	-57.3	134.8	-179.7	0	0	0	0	0	108.5	S37 S41 S69 S70	S37-G39 PolarHBondContact O-N 2.81Å; G39-S41 PolarHBondContact O-N 3.16Å; G39-S69 CarbonylContact O-C 3.57Å; G39-S69 WeakPolarHBondContact O-CA 3.26Å; G39-S70 PolarHBondContact O-N 2.96Å
40	I	95	Very high	72	Confident	28 Å²	28	79.5 Å²	79.5	14%	0.144	45%	0.447	C	S	.	.	B	Isolated β-bridge	trans	-69.6	133.3	175	-65.7	171.8	0	0	0	107.8	E38 P42 A67 V68 L75 P79 T83	E38-I40 PolarHBondContact O-N 3.08Å; I40-P42 WeakPolarHBondContact O-CD 3.29Å; I40-A67 HydrophobicContact CD1-CB 4.27Å; I40-A67 HydrophobicContact CG1-CB 4.47Å; I40-V68 WeakPolarHBondContact CA-O 3.36Å; I40-L75 HydrophobicContact CG1-CD2 4.3Å; I40-P79 HydrophobicContact CD1-CB 3.75Å; I40-P79 HydrophobicContact CD1-CG 3.88Å; I40-P79 HydrophobicContact CG1-CB 4.49Å; I40-T83 HydrophobicContact CD1-CG2 3.23Å
41	S	96.4	Very high	74.9	Confident	7 Å²	7	74.5 Å²	74.5	5%	0.049	42%	0.415	C	S	.	.			trans	-95.9	103.5	167.5	166.8	0	0	0	0	108.2	G39 E43 R44 C45 V68	G39-S41 PolarHBondContact O-N 3.16Å; S41-E43 VanDerWaalsContact C-N 3.29Å; S41-E43 PolarHBondContact O-N 3.41Å; S41-E43 PolarHBondContact OG-OE1 3.43Å; S41-R44 PolarHBondContact O-N 3.32Å; S41-R44 VanDerWaalsContact O-N 3.15Å; S41-R44 WeakPolarHBondContact OG-CB 3.32Å; S41-R44 WeakPolarHBondContact OG-CD 3.33Å; S41-R44 WeakPolarHBondContact OG-CG 3.47Å; S41-C45 PolarHBondContact O-N 3.44Å; S41-C45 PolarHBondContact O-SG 3.08Å; S41-V68 PolarHBondContact N-O 3.12Å
42	P	96.6	Very high	77.8	Confident	16 Å²	16	68 Å²	68	10%	0.104	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-56.4	-42.5	-175.9	-27.2	37.3	0	0	0	112.7	I40 R44 C45 H132 A135 A136 V137 A138	I40-P42 WeakPolarHBondContact O-CD 3.29Å; P42-R44 VanDerWaalsContact C-N 3.27Å; P42-R44 PolarHBondContact O-N 2.97Å; P42-C45 WeakPolarHBondContact O-CB 3.48Å; P42-C45 PolarHBondContact O-N 3.32Å; P42-H132 HydrophobicContact CB-CB 4.47Å; P42-H132 HydrophobicContact CG-CB 4.2Å; P42-A135 HydrophobicContact CB-CB 4.15Å; P42-A135 HydrophobicContact CG-CB 3.91Å; P42-A136 WeakPolarHBondContact CB-O 3.39Å; P42-V137 HydrophobicContact CB-CG2 4.4Å; P42-V137 CarbonylContact O-C 3.48Å; P42-V137 WeakPolarHBondContact O-CA 3.32Å; P42-A138 PolarHBondContact O-N 3.4Å
43	E	96.9	Very high	80.9	Confident	131 Å²	131	64.5 Å²	64.5	61%	0.612	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-67.1	-24.3	-178.7	65.1	-77.3	175	0	0	113.8	S41	S41-E43 VanDerWaalsContact C-N 3.29Å; S41-E43 PolarHBondContact O-N 3.41Å; S41-E43 PolarHBondContact OG-OE1 3.43Å
44	R	97.2	Very high	83.7	Confident	126 Å²	126	60.4 Å²	60.4	48%	0.475	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-91.8	-13	177.9	-67	-179.6	-180	-147.5	-2.5	114	S41 P42 V68 S70 E71 G72	S41-R44 PolarHBondContact O-N 3.32Å; S41-R44 VanDerWaalsContact O-N 3.15Å; S41-R44 WeakPolarHBondContact OG-CB 3.32Å; S41-R44 WeakPolarHBondContact OG-CD 3.33Å; S41-R44 WeakPolarHBondContact OG-CG 3.47Å; P42-R44 VanDerWaalsContact C-N 3.27Å; P42-R44 PolarHBondContact O-N 2.97Å; R44-V68 HydrophobicContact CB-CB 4.07Å; R44-V68 HydrophobicContact CB-CG1 3.7Å; R44-V68 VanDerWaalsContact O-CG2 3.32Å; R44-V68 WeakPolarHBondContact O-CG2 3.42Å; R44-S70 PolarHBondContact NH1-O 3.01Å; R44-E71 PolarHBondContact NH1-O 2.58Å; R44-G72 VanDerWaalsContact NH1-CA 3.3Å
45	C	98.2	Very high	86.7	Confident	6 Å²	6	58 Å²	58	4%	0.041	32%	0.319	C	S	.	.			trans	-55.9	155.2	176.1	-65.3	0	0	0	0	111.3	S41 P42 Q66 V137 A138	S41-C45 PolarHBondContact O-N 3.44Å; S41-C45 PolarHBondContact O-SG 3.08Å; P42-C45 WeakPolarHBondContact O-CB 3.48Å; P42-C45 PolarHBondContact O-N 3.32Å; C45-Q66 WeakPolarHBondContact CA-O 3.35Å; C45-Q66 WeakPolarHBondContact CB-O 3.21Å; C45-V137 HydrophobicContact CB-CG1 3.48Å; C45-V137 VanDerWaalsContact CB-CG1 3.48Å; C45-A138 VanDerWaalsContact O-CB 3.24Å; C45-A138 WeakPolarHBondContact O-CB 3.39Å
46	I	98.4	Very high	89.4	Confident	78 Å²	78	52.5 Å²	52.5	40%	0.4	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	136.4	-179.2	-46.5	172.8	0	0	0	108.5	W48 I65 Q66 V68	I46-W48 HydrophobicContact CB-CE3 4.21Å; I46-W48 HydrophobicContact CB-CZ3 4.08Å; I46-W48 HydrophobicContact CG2-CE3 3.79Å; I46-W48 HydrophobicContact CG2-CZ3 4.12Å; I46-W48 WeakPolarHBondContact O-CZ3 3.32Å; I46-I65 CarbonylContact O-C 3.58Å; I46-I65 WeakPolarHBondContact O-CA 3.17Å; I46-Q66 HydrophobicContact CB-CB 4.05Å; I46-Q66 HydrophobicContact CG1-CB 4.49Å; I46-Q66 PolarHBondContact N-O 3.21Å; I46-Q66 VanDerWaalsContact N-O 3.14Å; I46-Q66 PolarHBondContact O-N 2.88Å; I46-V68 HydrophobicContact CG1-CG2 4.3Å
47	V	98.7	Very high	92.1	Very high	20 Å²	20	46 Å²	46	12%	0.121	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	128.3	176.7	-169.1	0	0	0	0	109.9	L52 F63 F64 I65 I130 V137 A138 Y142	V47-L52 HydrophobicContact CG1-CD1 3.88Å; V47-F63 HydrophobicContact CG1-CD2 3.57Å; V47-F63 HydrophobicContact CG1-CE2 3.84Å; V47-F64 VanDerWaalsContact CA-O 3.28Å; V47-F64 WeakPolarHBondContact CA-O 3.3Å; V47-F64 WeakPolarHBondContact CG1-O 3.32Å; V47-I65 HydrophobicContact CG1-CG1 4.32Å; V47-I65 HydrophobicContact CG2-CG1 4.39Å; V47-I65 HydrophobicContact CG2-CG2 4.35Å; V47-I130 HydrophobicContact CB-CD1 4.39Å; V47-I130 HydrophobicContact CG1-CD1 3.64Å; V47-I130 HydrophobicContact CG2-CD1 3.93Å; V47-V137 HydrophobicContact CG2-CG1 4.32Å; V47-A138 HydrophobicContact CG2-CB 4.07Å; V47-Y142 HydrophobicContact CB-CE1 4.17Å; V47-Y142 HydrophobicContact CB-CE2 4.42Å; V47-Y142 VanDerWaalsContact CB-OH 3.23Å; V47-Y142 WeakPolarHBondContact CB-OH 3.4Å; V47-Y142 HydrophobicContact CG1-CE1 4.37Å; V47-Y142 HydrophobicContact CG1-CE2 4.5Å; V47-Y142 HydrophobicContact CG2-CE2 4.33Å; V47-Y142 VanDerWaalsContact CG2-OH 3.26Å; V47-Y142 WeakPolarHBondContact CG2-OH 3.22Å
48	W	97.9	Very high	94.6	Very high	111 Å²	111	40.8 Å²	40.8	42%	0.42	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	162	-177.2	72.3	101.9	0	0	0	111.5	I46 F63 F64 Q66	I46-W48 HydrophobicContact CB-CE3 4.21Å; I46-W48 HydrophobicContact CB-CZ3 4.08Å; I46-W48 HydrophobicContact CG2-CE3 3.79Å; I46-W48 HydrophobicContact CG2-CZ3 4.12Å; I46-W48 WeakPolarHBondContact O-CZ3 3.32Å; W48-F63 CarbonylContact O-C 3.58Å; W48-F63 WeakPolarHBondContact O-CA 3.34Å; W48-F63 WeakPolarHBondContact O-CB 3.42Å; W48-F64 HydrophobicContact CD2-CB 3.93Å; W48-F64 AromaticContact CE2-CD2 3.98Å; W48-F64 HydrophobicContact CE3-CB 4.14Å; W48-F64 HydrophobicContact CH2-CB 3.8Å; W48-F64 HydrophobicContact CZ2-CB 3.57Å; W48-F64 HydrophobicContact CZ2-CD2 4.4Å; W48-F64 HydrophobicContact CZ2-CG 4.11Å; W48-F64 HydrophobicContact CZ3-CB 4.07Å; W48-F64 PolarHBondContact N-O 3Å; W48-F64 VanDerWaalsContact N-O 3.16Å; W48-F64 AromaticContact NE1-CD2 3.63Å; W48-F64 PolarHBondContact O-N 3Å; W48-Q66 HydrophobicContact CH2-CB 3.8Å; W48-Q66 HydrophobicContact CZ3-CB 3.55Å
49	G	96.6	Very high	96.3	Very high	25 Å²	25	38.2 Å²	38.2	26%	0.258	20%	0.202	S	C	.	.	S	Bend	trans	134.6	165.6	172.2	0	0	0	0	0	113.2	G51 L52	G49-G51 PolarHBondContact O-N 2.96Å; G49-L52 PolarHBondContact O-N 3.08Å
50	P	96.3	Very high	96.9	Very high	21 Å²	21	36.5 Å²	36.5	14%	0.136	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-66.2	-25.3	-170	26	-34.4	0	0	0	113	L52 D53 A56 Y62	P50-L52 PolarHBondContact O-N 2.78Å; P50-D53 WeakPolarHBondContact O-CB 3.06Å; P50-D53 PolarHBondContact O-N 3.12Å; P50-A56 HydrophobicContact CB-CB 4.02Å; P50-A56 VanDerWaalsContact O-CB 3.26Å; P50-A56 WeakPolarHBondContact O-CB 3.31Å; P50-Y62 HydrophobicContact CG-CD1 4.42Å; P50-Y62 HydrophobicContact CG-CD2 4.32Å; P50-Y62 HydrophobicContact CG-CE1 3.84Å; P50-Y62 HydrophobicContact CG-CE2 3.74Å; P50-Y62 VanDerWaalsContact CG-CZ 3.45Å
51	G	97	Very high	97	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-67.4	-2.6	177.4	0	0	0	0	0	115	G49 Y62 Y116	G49-G51 PolarHBondContact O-N 2.96Å; G51-Y62 VanDerWaalsContact CA-O 3.24Å; G51-Y62 WeakPolarHBondContact CA-O 3.34Å; G51-Y62 PolarHBondContact N-O 3.34Å; G51-Y116 WeakPolarHBondContact O-CE1 3.16Å; G51-Y116 PolarHBondContact O-OH 2.9Å
52	L	97.1	Very high	97.1	Very high	34 Å²	34	35 Å²	35	18%	0.178	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-100.2	-2.9	171.3	-62.1	177.5	0	0	0	113.2	V47 G49 P50 F63 V128 Y142 I144	V47-L52 HydrophobicContact CG1-CD1 3.88Å; G49-L52 PolarHBondContact O-N 3.08Å; P50-L52 PolarHBondContact O-N 2.78Å; L52-F63 HydrophobicContact CD1-CB 4.35Å; L52-F63 HydrophobicContact CD1-CG 4.46Å; L52-F63 HydrophobicContact CD2-CD1 3.96Å; L52-F63 HydrophobicContact CD2-CE1 4.21Å; L52-F63 HydrophobicContact CD2-CG 4.17Å; L52-F63 HydrophobicContact CG-CB 4.01Å; L52-F63 HydrophobicContact CG-CD1 4.25Å; L52-F63 HydrophobicContact CG-CG 4.09Å; L52-V128 HydrophobicContact CD2-CG1 4.49Å; L52-V128 HydrophobicContact CD2-CG2 4.43Å; L52-Y142 HydrophobicContact CD1-CD1 3.94Å; L52-Y142 HydrophobicContact CD1-CE1 4.05Å; L52-Y142 HydrophobicContact CD2-CD1 4.36Å; L52-Y142 HydrophobicContact CD2-CG 4.42Å; L52-I144 HydrophobicContact CD2-CD1 4.37Å
53	D	96.5	Very high	97.2	Very high	57 Å²	57	34.3 Å²	34.3	31%	0.305	17%	0.17	S	C	.	.	S	Bend	trans	-98.4	127.4	177.3	-169.8	-51.1	0	0	0	109.6	P50 D55 A56 R61	P50-D53 WeakPolarHBondContact O-CB 3.06Å; P50-D53 PolarHBondContact O-N 3.12Å; D53-D55 VanDerWaalsContact C-N 3.26Å; D53-D55 PolarHBondContact O-N 3.27Å; D53-D55 PolarHBondContact OD1-N 3.35Å; D53-A56 HydrophobicContact CB-CB 4.03Å; D53-A56 PolarHBondContact O-N 3.27Å; D53-R61 PolarHBondContact O-NH1 2.96Å
54	P	96.3	Very high	97.3	Very high	30 Å²	30	28.9 Å²	28.9	20%	0.195	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-36.5	-180	24.6	-32.5	0	0	0	112.8	R61 I144 K145 V148	P54-R61 PolarHBondContact O-NH1 3.32Å; P54-R61 PolarHBondContact O-NH2 3.06Å; P54-I144 HydrophobicContact CB-CG2 3.8Å; P54-I144 HydrophobicContact CG-CG2 4.29Å; P54-K145 WeakPolarHBondContact CB-O 3.48Å; P54-V148 HydrophobicContact CB-CG2 4.03Å
55	D	95.6	Very high	97.4	Very high	61 Å²	61	22.9 Å²	22.9	33%	0.326	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-13.1	-171.6	-72.8	-54.2	0	0	0	113.7	D53 V57 V166 R507	D53-D55 VanDerWaalsContact C-N 3.26Å; D53-D55 PolarHBondContact O-N 3.27Å; D53-D55 PolarHBondContact OD1-N 3.35Å; D55-V57 VanDerWaalsContact C-N 3.29Å; D55-V57 PolarHBondContact O-N 2.89Å; D55-V166 HydrophobicContact CB-CG1 3.8Å; D55-V166 HydrophobicContact CB-CG2 3.98Å; D55-R507 IonicContact OD1-NH2 2.88Å; D55-R507 PolarHBondContact OD1-NH2 2.97Å
56	A	96.2	Very high	97.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.125	C	C	.	.			trans	-74.4	78	174.4	0	0	0	0	0	111.7	P50 D53 L58 R61 V166 L167	P50-A56 HydrophobicContact CB-CB 4.02Å; P50-A56 VanDerWaalsContact O-CB 3.26Å; P50-A56 WeakPolarHBondContact O-CB 3.31Å; D53-A56 HydrophobicContact CB-CB 4.03Å; D53-A56 PolarHBondContact O-N 3.27Å; A56-L58 PolarHBondContact O-N 3.46Å; A56-R61 PolarHBondContact O-NH1 3.29Å; A56-R61 PolarHBondContact O-NH2 2.98Å; A56-V166 HydrophobicContact CB-CG1 4.01Å; A56-L167 HydrophobicContact CB-CD2 4.09Å
57	V	96.4	Very high	97.4	Very high	4 Å²	4	20 Å²	20	2%	0.024	11%	0.106	C	C	.	.			trans	-78.6	110.7	179.6	-172.1	0	0	0	0	110.4	D55 Y149 K240	D55-V57 VanDerWaalsContact C-N 3.29Å; D55-V57 PolarHBondContact O-N 2.89Å; V57-Y149 HydrophobicContact CG2-CD2 4.37Å; V57-K240 HydrophobicContact CB-CG 4.23Å; V57-K240 HydrophobicContact CG1-CG 4.08Å; V57-K240 VanDerWaalsContact O-CD 3.28Å; V57-K240 WeakPolarHBondContact O-CD 2.84Å; V57-K240 WeakPolarHBondContact O-CE 3.11Å
58	L	97.2	Very high	97.3	Very high	4 Å²	4	19.2 Å²	19.2	2%	0.021	10%	0.102	C	C	.	.			trans	-135.2	154.7	178	-67.2	171.9	0	0	0	110.6	A56 V60 Y62 L167 P462 Y466	A56-L58 PolarHBondContact O-N 3.46Å; L58-V60 PolarHBondContact O-N 3.19Å; L58-Y62 HydrophobicContact CD1-CD1 4.32Å; L58-Y62 HydrophobicContact CD1-CE1 3.75Å; L58-L167 HydrophobicContact CD2-CD2 4.46Å; L58-P462 HydrophobicContact CD1-CB 4.35Å; L58-P462 HydrophobicContact CD2-CB 4.4Å; L58-Y466 HydrophobicContact CD2-CD2 3.61Å; L58-Y466 HydrophobicContact CD2-CE2 3.79Å; L58-Y466 HydrophobicContact CD2-CG 4.49Å
59	P	96.6	Very high	97.2	Very high	4 Å²	4	14 Å²	14	3%	0.026	8%	0.082	C	C	.	.	S	Bend	trans	-54.7	-42.9	176.7	-24	29.7	0	0	0	112.9	E151 L291 Y466	P59-E151 WeakPolarHBondContact CA-OE2 3.38Å; P59-E151 HydrophobicContact CB-CG 4.17Å; P59-E151 VanDerWaalsContact CD-OE2 3.29Å; P59-E151 WeakPolarHBondContact CD-OE2 3.37Å; P59-E151 HydrophobicContact CG-CG 4.36Å; P59-E151 VanDerWaalsContact CG-OE2 3.29Å; P59-E151 WeakPolarHBondContact CG-OE2 3.39Å; P59-L291 HydrophobicContact CG-CD2 4.01Å; P59-Y466 VanDerWaalsContact CD-OH 3.27Å; P59-Y466 WeakPolarHBondContact CD-OH 3.4Å; P59-Y466 HydrophobicContact CG-CE2 4.3Å; P59-Y466 WeakPolarHBondContact CG-OH 3.38Å
60	V	97.6	Very high	96.9	Very high	3 Å²	3	16.2 Å²	16.2	2%	0.018	9%	0.094	C	C	.	.	S	Bend	trans	-126.9	123.8	170.2	172.6	0	0	0	0	107.6	L58 R115 R117 T293 M294 L302	L58-V60 PolarHBondContact O-N 3.19Å; V60-R115 HydrophobicContact CG1-CB 3.88Å; V60-R117 HydrophobicContact CG2-CB 4.29Å; V60-T293 HydrophobicContact CB-CG2 4.22Å; V60-T293 HydrophobicContact CG1-CG2 4.23Å; V60-T293 HydrophobicContact CG2-CG2 3.88Å; V60-T293 WeakPolarHBondContact CG2-O 3.27Å; V60-M294 HydrophobicContact CG1-SD 3.61Å; V60-M294 HydrophobicContact CG2-CB 4.17Å; V60-M294 HydrophobicContact CG2-CG 4.41Å; V60-M294 HydrophobicContact CG2-SD 4.13Å; V60-L302 HydrophobicContact CG1-CD1 4.05Å
61	R	97.9	Very high	96.7	Very high	4 Å²	4	20.8 Å²	20.8	2%	0.015	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	144.3	175.2	-69.4	-179.9	176.6	-112.2	5.3	108.7	D53 P54 A56 R115 Y116 V148 Y149	D53-R61 PolarHBondContact O-NH1 2.96Å; P54-R61 PolarHBondContact O-NH1 3.32Å; P54-R61 PolarHBondContact O-NH2 3.06Å; A56-R61 PolarHBondContact O-NH1 3.29Å; A56-R61 PolarHBondContact O-NH2 2.98Å; R61-R115 CarbonylContact O-C 3.49Å; R61-R115 WeakPolarHBondContact O-CA 3.09Å; R61-Y116 HydrophobicContact CB-CD1 3.95Å; R61-Y116 HydrophobicContact CB-CD2 4.25Å; R61-Y116 HydrophobicContact CB-CE1 3.45Å; R61-Y116 VanDerWaalsContact CB-CE1 3.45Å; R61-Y116 HydrophobicContact CB-CE2 3.79Å; R61-Y116 HydrophobicContact CB-CG 4.33Å; R61-Y116 WeakPolarHBondContact CD-OH 3.39Å; R61-Y116 HydrophobicContact CG-CE2 4.29Å; R61-Y116 PolarHBondContact N-O 2.82Å; R61-Y116 PolarHBondContact O-N 3.45Å; R61-V148 VanDerWaalsContact CZ-CG1 3.44Å; R61-Y149 PolarHBondContact NH2-O 3.36Å
62	Y	98.3	Very high	96.6	Very high	1 Å²	1	22.5 Å²	22.5	0%	0.004	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	150.7	-176	66.2	-84.5	0	0	0	112.7	P50 G51 L58 F64 L113 M114 L302 Q461 P462 S463	P50-Y62 HydrophobicContact CG-CD1 4.42Å; P50-Y62 HydrophobicContact CG-CD2 4.32Å; P50-Y62 HydrophobicContact CG-CE1 3.84Å; P50-Y62 HydrophobicContact CG-CE2 3.74Å; P50-Y62 VanDerWaalsContact CG-CZ 3.45Å; G51-Y62 VanDerWaalsContact CA-O 3.24Å; G51-Y62 WeakPolarHBondContact CA-O 3.34Å; G51-Y62 PolarHBondContact N-O 3.34Å; L58-Y62 HydrophobicContact CD1-CD1 4.32Å; L58-Y62 HydrophobicContact CD1-CE1 3.75Å; Y62-F64 HydrophobicContact CD2-CE2 4.11Å; Y62-F64 HydrophobicContact CD2-CZ 4.03Å; Y62-F64 AromaticContact CE2-CE2 3.97Å; Y62-F64 HydrophobicContact CE2-CE2 3.97Å; Y62-F64 AromaticContact CE2-CZ 3.97Å; Y62-F64 HydrophobicContact CE2-CZ 3.97Å; Y62-L113 HydrophobicContact CD2-CD1 3.93Å; Y62-L113 HydrophobicContact CG-CD1 4.26Å; Y62-M114 CarbonylContact C-O 3.58Å; Y62-M114 WeakPolarHBondContact CA-O 3.18Å; Y62-M114 VanDerWaalsContact CB-O 3.27Å; Y62-M114 WeakPolarHBondContact CB-O 3.43Å; Y62-L302 HydrophobicContact CD1-CD1 4.33Å; Y62-L302 HydrophobicContact CG-CD1 4.49Å; Y62-Q461 WeakPolarHBondContact OH-CB 3.41Å; Y62-Q461 PolarHBondContact OH-OE1 3.04Å; Y62-P462 HydrophobicContact CD1-CG 4.23Å; Y62-P462 HydrophobicContact CE1-CB 4Å; Y62-P462 HydrophobicContact CE1-CG 3.78Å; Y62-S463 PolarHBondContact OH-OG 2.82Å
63	F	98.6	Very high	96.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	166.5	173.1	64.3	-95.7	0	0	0	109.6	V47 W48 L52 I65 V86 M114 Y116 V128 I130	V47-F63 HydrophobicContact CG1-CD2 3.57Å; V47-F63 HydrophobicContact CG1-CE2 3.84Å; W48-F63 CarbonylContact O-C 3.58Å; W48-F63 WeakPolarHBondContact O-CA 3.34Å; W48-F63 WeakPolarHBondContact O-CB 3.42Å; L52-F63 HydrophobicContact CD1-CB 4.35Å; L52-F63 HydrophobicContact CD1-CG 4.46Å; L52-F63 HydrophobicContact CD2-CD1 3.96Å; L52-F63 HydrophobicContact CD2-CE1 4.21Å; L52-F63 HydrophobicContact CD2-CG 4.17Å; L52-F63 HydrophobicContact CG-CB 4.01Å; L52-F63 HydrophobicContact CG-CD1 4.25Å; L52-F63 HydrophobicContact CG-CG 4.09Å; F63-I65 HydrophobicContact CD2-CG1 4.26Å; F63-I65 HydrophobicContact CE2-CD1 4.11Å; F63-I65 HydrophobicContact CE2-CG1 3.94Å; F63-V86 HydrophobicContact CZ-CG1 4.07Å; F63-M114 HydrophobicContact CD1-CB 4.16Å; F63-M114 HydrophobicContact CD1-CG 4.15Å; F63-M114 HydrophobicContact CD2-CB 3.9Å; F63-M114 HydrophobicContact CE1-CB 3.87Å; F63-M114 HydrophobicContact CE1-CG 3.46Å; F63-M114 VanDerWaalsContact CE1-CG 3.46Å; F63-M114 HydrophobicContact CE2-CB 3.58Å; F63-M114 HydrophobicContact CE2-CG 3.86Å; F63-M114 HydrophobicContact CG-CB 4.18Å; F63-M114 HydrophobicContact CZ-CB 3.59Å; F63-M114 HydrophobicContact CZ-CG 3.31Å; F63-M114 PolarHBondContact N-O 3.31Å; F63-M114 PolarHBondContact O-N 3.07Å; F63-Y116 HydrophobicContact CD1-CE1 4.33Å; F63-Y116 HydrophobicContact CE1-CD1 4.48Å; F63-Y116 HydrophobicContact CE1-CE1 4.39Å; F63-V128 HydrophobicContact CE1-CG1 4.01Å; F63-V128 HydrophobicContact CZ-CG1 3.8Å; F63-I130 HydrophobicContact CE2-CD1 3.56Å; F63-I130 HydrophobicContact CE2-CG1 4.36Å; F63-I130 HydrophobicContact CZ-CD1 3.96Å; F63-I130 HydrophobicContact CZ-CG1 4.36Å
64	F	98.6	Very high	96.6	Very high	18 Å²	18	27.9 Å²	27.9	8%	0.079	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	149.6	-176.2	-55.7	-80.5	0	0	0	111	V47 W48 Y62 F112 L113	V47-F64 VanDerWaalsContact CA-O 3.28Å; V47-F64 WeakPolarHBondContact CA-O 3.3Å; V47-F64 WeakPolarHBondContact CG1-O 3.32Å; W48-F64 HydrophobicContact CD2-CB 3.93Å; W48-F64 AromaticContact CE2-CD2 3.98Å; W48-F64 HydrophobicContact CE3-CB 4.14Å; W48-F64 HydrophobicContact CH2-CB 3.8Å; W48-F64 HydrophobicContact CZ2-CB 3.57Å; W48-F64 HydrophobicContact CZ2-CD2 4.4Å; W48-F64 HydrophobicContact CZ2-CG 4.11Å; W48-F64 HydrophobicContact CZ3-CB 4.07Å; W48-F64 PolarHBondContact N-O 3Å; W48-F64 VanDerWaalsContact N-O 3.16Å; W48-F64 AromaticContact NE1-CD2 3.63Å; W48-F64 PolarHBondContact O-N 3Å; Y62-F64 HydrophobicContact CD2-CE2 4.11Å; Y62-F64 HydrophobicContact CD2-CZ 4.03Å; Y62-F64 AromaticContact CE2-CE2 3.97Å; Y62-F64 HydrophobicContact CE2-CE2 3.97Å; Y62-F64 AromaticContact CE2-CZ 3.97Å; Y62-F64 HydrophobicContact CE2-CZ 3.97Å; F64-F112 CarbonylContact C-O 3.48Å; F64-F112 VanDerWaalsContact CA-O 3.23Å; F64-F112 WeakPolarHBondContact CA-O 3.4Å; F64-L113 HydrophobicContact CD1-CB 4.4Å; F64-L113 HydrophobicContact CD1-CD1 4.06Å; F64-L113 HydrophobicContact CE1-CB 4.4Å; F64-L113 HydrophobicContact CE1-CD1 3.64Å; F64-L113 HydrophobicContact CZ-CD1 4.19Å
65	I	98.8	Very high	96.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	119.4	171.5	-52.5	163.6	0	0	0	106.9	I46 V47 F63 F84 V86 S111 F112 I130 V137	I46-I65 CarbonylContact O-C 3.58Å; I46-I65 WeakPolarHBondContact O-CA 3.17Å; V47-I65 HydrophobicContact CG1-CG1 4.32Å; V47-I65 HydrophobicContact CG2-CG1 4.39Å; V47-I65 HydrophobicContact CG2-CG2 4.35Å; F63-I65 HydrophobicContact CD2-CG1 4.26Å; F63-I65 HydrophobicContact CE2-CD1 4.11Å; F63-I65 HydrophobicContact CE2-CG1 3.94Å; I65-F84 HydrophobicContact CB-CD2 4.28Å; I65-F84 HydrophobicContact CB-CE2 4.3Å; I65-F84 HydrophobicContact CD1-CB 4.09Å; I65-F84 HydrophobicContact CD1-CD2 4.29Å; I65-F84 HydrophobicContact CD1-CG 4.18Å; I65-F84 HydrophobicContact CG2-CD1 4.28Å; I65-F84 HydrophobicContact CG2-CD2 3.78Å; I65-F84 HydrophobicContact CG2-CE1 4.03Å; I65-F84 HydrophobicContact CG2-CE2 3.51Å; I65-F84 HydrophobicContact CG2-CG 4.15Å; I65-F84 HydrophobicContact CG2-CZ 3.64Å; I65-V86 HydrophobicContact CD1-CG2 4.17Å; I65-S111 CarbonylContact O-C 3.58Å; I65-S111 VanDerWaalsContact O-CA 3.31Å; I65-S111 WeakPolarHBondContact O-CA 3.43Å; I65-F112 HydrophobicContact CB-CB 4.3Å; I65-F112 PolarHBondContact N-O 2.87Å; I65-F112 PolarHBondContact O-N 3.2Å; I65-I130 HydrophobicContact CD1-CD1 4.46Å; I65-I130 HydrophobicContact CD1-CG2 3.74Å; I65-I130 HydrophobicContact CG1-CD1 4.49Å; I65-V137 HydrophobicContact CG2-CG1 4.22Å
66	Q	98.4	Very high	96.5	Very high	22 Å²	22	29.9 Å²	29.9	10%	0.103	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	121.3	170.8	177.7	62.2	55.4	0	0	108.6	C45 I46 W48 V68 N74 L75 G110	C45-Q66 WeakPolarHBondContact CA-O 3.35Å; C45-Q66 WeakPolarHBondContact CB-O 3.21Å; I46-Q66 HydrophobicContact CB-CB 4.05Å; I46-Q66 HydrophobicContact CG1-CB 4.49Å; I46-Q66 PolarHBondContact N-O 3.21Å; I46-Q66 VanDerWaalsContact N-O 3.14Å; I46-Q66 PolarHBondContact O-N 2.88Å; W48-Q66 HydrophobicContact CH2-CB 3.8Å; W48-Q66 HydrophobicContact CZ3-CB 3.55Å; Q66-V68 HydrophobicContact CG-CG2 4.26Å; Q66-N74 HydrophobicContact CG-CB 4.15Å; Q66-L75 PolarHBondContact NE2-O 2.77Å; Q66-G110 PolarHBondContact NE2-O 3.09Å
67	A	98.3	Very high	96.4	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.196	C	C	.	.			trans	-72.8	136.9	170.1	0	0	0	0	0	109.9	I40 L75 P79 F84 G110	I40-A67 HydrophobicContact CD1-CB 4.27Å; I40-A67 HydrophobicContact CG1-CB 4.47Å; A67-L75 HydrophobicContact CB-CB 4.27Å; A67-L75 HydrophobicContact CB-CD1 4.49Å; A67-L75 HydrophobicContact CB-CD2 3.93Å; A67-L75 HydrophobicContact CB-CG 4.47Å; A67-L75 PolarHBondContact O-N 3.01Å; A67-P79 HydrophobicContact CB-CG 4.23Å; A67-F84 HydrophobicContact CB-CE2 4.18Å; A67-F84 HydrophobicContact CB-CZ 4.08Å; A67-G110 WeakPolarHBondContact CB-O 3.46Å; A67-G110 PolarHBondContact N-O 2.87Å
68	V	97.8	Very high	96.3	Very high	5 Å²	5	38.3 Å²	38.3	3%	0.03	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-128.1	135.8	-179.3	178.7	0	0	0	0	108.8	I40 S41 R44 I46 Q66 R73 N74	I40-V68 WeakPolarHBondContact CA-O 3.36Å; S41-V68 PolarHBondContact N-O 3.12Å; R44-V68 HydrophobicContact CB-CB 4.07Å; R44-V68 HydrophobicContact CB-CG1 3.7Å; R44-V68 VanDerWaalsContact O-CG2 3.32Å; R44-V68 WeakPolarHBondContact O-CG2 3.42Å; I46-V68 HydrophobicContact CG1-CG2 4.3Å; Q66-V68 HydrophobicContact CG-CG2 4.26Å; V68-R73 WeakPolarHBondContact CA-O 3.4Å; V68-N74 WeakPolarHBondContact CG2-OD1 3.48Å
69	S	95.4	Very high	96.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-74.6	166.3	-178.9	63.9	0	0	0	0	112.2	E38 G39 E71 G72 R73	E38-S69 WeakPolarHBondContact OE2-CB 3.19Å; E38-S69 PolarHBondContact OE2-OG 2.99Å; G39-S69 CarbonylContact O-C 3.57Å; G39-S69 WeakPolarHBondContact O-CA 3.26Å; S69-E71 PolarHBondContact O-N 2.99Å; S69-E71 VanDerWaalsContact O-N 3.15Å; S69-G72 WeakPolarHBondContact O-CA 3.1Å; S69-G72 PolarHBondContact O-N 2.9Å; S69-R73 PolarHBondContact N-O 3.04Å; S69-R73 PolarHBondContact OG-N 3.05Å; S69-R73 PolarHBondContact OG-O 3.42Å
70	S	91.1	Very high	96	Very high	72 Å²	72	41.5 Å²	41.5	50%	0.503	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-30.5	171.4	51.4	0	0	0	0	113.1	G39 R44 G72	G39-S70 PolarHBondContact O-N 2.96Å; R44-S70 PolarHBondContact NH1-O 3.01Å; S70-G72 VanDerWaalsContact C-N 3.28Å; S70-G72 PolarHBondContact O-N 2.9Å
71	E	92.1	Very high	95.6	Very high	117 Å²	117	49.8 Å²	49.8	55%	0.547	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-9.1	176.1	-64	-178.7	-166.7	0	0	113.7	R44 S69 R73	R44-E71 PolarHBondContact NH1-O 2.58Å; S69-E71 PolarHBondContact O-N 2.99Å; S69-E71 VanDerWaalsContact O-N 3.15Å; E71-R73 IonicContact OE1-NH2 3.96Å; E71-R73 IonicContact OE2-CZ 2.77Å; E71-R73 IonicContact OE2-NE 3.97Å; E71-R73 PolarHBondContact OE2-NE 3.34Å; E71-R73 IonicContact OE2-NH2 3.77Å; E71-R73 PolarHBondContact OE2-NH2 2.79Å
72	G	93.3	Very high	95.3	Very high	37 Å²	37	52.2 Å²	52.2	38%	0.381	30%	0.3	S	S	.	.	S	Bend	trans	85.7	17.5	-177.8	0	0	0	0	0	114.5	R44 S69 S70	R44-G72 VanDerWaalsContact NH1-CA 3.3Å; S69-G72 WeakPolarHBondContact O-CA 3.1Å; S69-G72 PolarHBondContact O-N 2.9Å; S70-G72 VanDerWaalsContact C-N 3.28Å; S70-G72 PolarHBondContact O-N 2.9Å
73	R	96.3	Very high	95.2	Very high	119 Å²	119	52.9 Å²	52.9	45%	0.449	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-92.7	137.5	175.9	-62	-174	-81.4	121.3	-7.7	109.9	E38 V68 S69 E71 L75	E38-R73 IonicContact OE1-CZ 2.94Å; E38-R73 IonicContact OE1-NH1 3.91Å; E38-R73 PolarHBondContact OE1-NH1 2.48Å; E38-R73 IonicContact OE1-NH2 3.47Å; E38-R73 PolarHBondContact OE1-NH2 3.41Å; E38-R73 IonicContact OE2-CZ 3.93Å; E38-R73 IonicContact OE2-NH1 2.75Å; E38-R73 IonicContact OE2-NH2 2.87Å; V68-R73 WeakPolarHBondContact CA-O 3.4Å; S69-R73 PolarHBondContact N-O 3.04Å; S69-R73 PolarHBondContact OG-N 3.05Å; S69-R73 PolarHBondContact OG-O 3.42Å; E71-R73 IonicContact OE1-NH2 3.96Å; E71-R73 IonicContact OE2-CZ 2.77Å; E71-R73 IonicContact OE2-NE 3.97Å; E71-R73 PolarHBondContact OE2-NE 3.34Å; E71-R73 IonicContact OE2-NH2 3.77Å; E71-R73 PolarHBondContact OE2-NH2 2.79Å; R73-L75 PolarHBondContact O-N 2.84Å
74	N	97.7	Very high	95.2	Very high	85 Å²	85	53.1 Å²	53.1	46%	0.455	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-64.3	126.7	171.4	-74	-5.7	0	0	0	108.9	Q66 V68 T76	Q66-N74 HydrophobicContact CG-CB 4.15Å; V68-N74 WeakPolarHBondContact CG2-OD1 3.48Å; N74-T76 PolarHBondContact O-N 3.13Å
75	L	96.9	Very high	95.1	Very high	22 Å²	22	58.4 Å²	58.4	12%	0.115	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-63.4	137.4	171.4	-84.3	64.1	0	0	0	108.8	I40 Q66 A67 R73 P79 D109 G110	I40-L75 HydrophobicContact CG1-CD2 4.3Å; Q66-L75 PolarHBondContact NE2-O 2.77Å; A67-L75 HydrophobicContact CB-CB 4.27Å; A67-L75 HydrophobicContact CB-CD1 4.49Å; A67-L75 HydrophobicContact CB-CD2 3.93Å; A67-L75 HydrophobicContact CB-CG 4.47Å; A67-L75 PolarHBondContact O-N 3.01Å; R73-L75 PolarHBondContact O-N 2.84Å; L75-P79 HydrophobicContact CD2-CB 3.87Å; L75-P79 HydrophobicContact CD2-CG 4.08Å; L75-D109 VanDerWaalsContact O-O 3.05Å; L75-G110 WeakPolarHBondContact O-CA 3.37Å
76	T	93.9	Very high	95.1	Very high	111 Å²	111	59.5 Å²	59.5	68%	0.681	34%	0.335	S	S	*	.			trans	-108.4	0.8	176.1	59.1	0	0	0	0	112.4	N74 D109	N74-T76 PolarHBondContact O-N 3.13Å; T76-D109 VanDerWaalsContact C-C 3.48Å; T76-D109 CarbonylContact C-O 3.54Å; T76-D109 WeakPolarHBondContact CA-O 3.39Å; T76-D109 CarbonylContact O-C 3.42Å; T76-D109 WeakPolarHBondContact O-CA 3.45Å
77	L	93	Very high	95.1	Very high	128 Å²	128	64.7 Å²	64.7	67%	0.67	36%	0.358	S	S	*	.	S	Bend	trans	-131.2	152.1	179.4	-64.4	175.8	0	0	0	109.2	P79 G110	L77-P79 WeakPolarHBondContact O-CD 3.39Å; L77-G110 VanDerWaalsContact O-CA 3.28Å; L77-G110 WeakPolarHBondContact O-CA 3.33Å; L77-G110 PolarHBondContact O-N 2.91Å
78	S	94.6	Very high	95.1	Very high	52 Å²	52	65.4 Å²	65.4	36%	0.364	36%	0.361	S	S	.	.			trans	-57.1	125.6	174.9	164.7	0	0	0	0	111.8	G80 D106 G108	S78-G80 PolarHBondContact O-N 3.13Å; S78-G80 WeakPolarHBondContact OG-CA 3.47Å; S78-G80 PolarHBondContact OG-N 3.37Å; S78-D106 VanDerWaalsContact CB-OD2 3.24Å; S78-D106 WeakPolarHBondContact CB-OD2 3.34Å; S78-D106 PolarHBondContact OG-OD2 3.14Å; S78-G108 PolarHBondContact N-O 3.3Å
79	P	94.1	Very high	95.1	Very high	49 Å²	49	66.5 Å²	66.5	32%	0.318	37%	0.369	S	S	.	.			trans	-83.4	11.1	166.3	33.8	-32.9	0	0	0	113.1	I40 A67 L75 L77 T83 F112	I40-P79 HydrophobicContact CD1-CB 3.75Å; I40-P79 HydrophobicContact CD1-CG 3.88Å; I40-P79 HydrophobicContact CG1-CB 4.49Å; A67-P79 HydrophobicContact CB-CG 4.23Å; L75-P79 HydrophobicContact CD2-CB 3.87Å; L75-P79 HydrophobicContact CD2-CG 4.08Å; L77-P79 WeakPolarHBondContact O-CD 3.39Å; P79-T83 HydrophobicContact CB-CG2 4.49Å; P79-T83 HydrophobicContact CG-CG2 3.95Å; P79-T83 PolarHBondContact O-OG1 3.01Å; P79-F112 HydrophobicContact CG-CE2 3.79Å; P79-F112 HydrophobicContact CG-CZ 3.78Å
80	G	92.6	Very high	95.2	Very high	27 Å²	27	67.6 Å²	67.6	28%	0.278	38%	0.376	S	S	.	.			trans	107.1	161.3	179.5	0	0	0	0	0	114.4	S78 T83 F112	S78-G80 PolarHBondContact O-N 3.13Å; S78-G80 WeakPolarHBondContact OG-CA 3.47Å; S78-G80 PolarHBondContact OG-N 3.37Å; G80-T83 PolarHBondContact O-OG1 3.35Å; G80-F112 WeakPolarHBondContact O-CZ 3.39Å
81	K	89.3	Confident	95.4	Very high	176 Å²	176	67 Å²	67	77%	0.765	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	144.2	172.2	-64.8	-176.6	179.9	-176	0	109.8	T83 D106	K81-T83 VanDerWaalsContact C-N 3.29Å; K81-T83 PolarHBondContact O-N 2.82Å; K81-D106 HydrophobicContact CG-CB 4.46Å
82	G	91.8	Very high	95.5	Very high	55 Å²	55	63.3 Å²	63.3	57%	0.567	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	10	177.9	0	0	0	0	0	114.7	F84	G82-F84 PolarHBondContact O-N 2.76Å
83	T	96.4	Very high	95.3	Very high	16 Å²	16	70.5 Å²	70.5	10%	0.098	37%	0.372	C	S	.	.	S	Bend	trans	-52.2	-40.9	172.5	-61.8	0	0	0	0	112.5	I40 P79 G80 K81 F112 H132	I40-T83 HydrophobicContact CD1-CG2 3.23Å; P79-T83 HydrophobicContact CB-CG2 4.49Å; P79-T83 HydrophobicContact CG-CG2 3.95Å; P79-T83 PolarHBondContact O-OG1 3.01Å; G80-T83 PolarHBondContact O-OG1 3.35Å; K81-T83 VanDerWaalsContact C-N 3.29Å; K81-T83 PolarHBondContact O-N 2.82Å; T83-F112 HydrophobicContact CG2-CE2 4.44Å; T83-F112 HydrophobicContact CG2-CZ 4.2Å; T83-H132 PolarHBondContact O-ND1 3.18Å
84	F	98.1	Very high	95.1	Very high	5 Å²	5	72.5 Å²	72.5	2%	0.022	39%	0.386	C	S	.	.			trans	-115	134.9	179.8	-61.4	-65	0	0	0	111	I65 A67 G82 P104 F112 L131 H132 V137	I65-F84 HydrophobicContact CB-CD2 4.28Å; I65-F84 HydrophobicContact CB-CE2 4.3Å; I65-F84 HydrophobicContact CD1-CB 4.09Å; I65-F84 HydrophobicContact CD1-CD2 4.29Å; I65-F84 HydrophobicContact CD1-CG 4.18Å; I65-F84 HydrophobicContact CG2-CD1 4.28Å; I65-F84 HydrophobicContact CG2-CD2 3.78Å; I65-F84 HydrophobicContact CG2-CE1 4.03Å; I65-F84 HydrophobicContact CG2-CE2 3.51Å; I65-F84 HydrophobicContact CG2-CG 4.15Å; I65-F84 HydrophobicContact CG2-CZ 3.64Å; A67-F84 HydrophobicContact CB-CE2 4.18Å; A67-F84 HydrophobicContact CB-CZ 4.08Å; G82-F84 PolarHBondContact O-N 2.76Å; F84-P104 HydrophobicContact CB-CG 4.31Å; F84-F112 HydrophobicContact CD2-CB 4.39Å; F84-F112 HydrophobicContact CD2-CD1 4.22Å; F84-F112 AromaticContact CD2-CD2 3.55Å; F84-F112 HydrophobicContact CD2-CD2 3.55Å; F84-F112 HydrophobicContact CD2-CE1 4.42Å; F84-F112 AromaticContact CD2-CE2 3.8Å; F84-F112 HydrophobicContact CD2-CE2 3.8Å; F84-F112 AromaticContact CD2-CG 3.8Å; F84-F112 HydrophobicContact CD2-CG 3.8Å; F84-F112 HydrophobicContact CD2-CZ 4.23Å; F84-F112 AromaticContact CE2-CD2 3.46Å; F84-F112 HydrophobicContact CE2-CD2 3.46Å; F84-F112 VanDerWaalsContact CE2-CD2 3.46Å; F84-F112 AromaticContact CE2-CE2 3.57Å; F84-F112 HydrophobicContact CE2-CE2 3.57Å; F84-F112 HydrophobicContact CE2-CG 4.19Å; F84-F112 HydrophobicContact CE2-CZ 4.34Å; F84-L131 WeakPolarHBondContact CA-O 3.41Å; F84-H132 HydrophobicContact CD1-CB 4.01Å; F84-H132 HydrophobicContact CE1-CB 3.99Å; F84-V137 HydrophobicContact CD1-CG1 4.38Å; F84-V137 HydrophobicContact CD1-CG2 3.71Å; F84-V137 HydrophobicContact CE1-CG1 3.96Å; F84-V137 HydrophobicContact CE1-CG2 3.72Å
85	K	98.1	Very high	94.6	Very high	129 Å²	129	70 Å²	70	56%	0.561	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104	130.8	168.1	-63.6	178	-174	169.5	0	108.3	I130 L131	K85-I130 WeakPolarHBondContact O-CA 3.38Å; K85-L131 HydrophobicContact CB-CB 4.49Å; K85-L131 PolarHBondContact N-O 2.75Å; K85-L131 PolarHBondContact O-N 3.46Å
86	V	98.6	Very high	94.1	Very high	22 Å²	22	79.7 Å²	79.7	13%	0.133	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	130.4	177.5	-178.7	0	0	0	0	109.6	F63 I65 I88 V101 P104 M114 V128 E129 I130	F63-V86 HydrophobicContact CZ-CG1 4.07Å; I65-V86 HydrophobicContact CD1-CG2 4.17Å; V86-I88 HydrophobicContact CG1-CD1 4.35Å; V86-I88 HydrophobicContact CG1-CG1 4.02Å; V86-V101 HydrophobicContact CG1-CG1 4.36Å; V86-P104 HydrophobicContact CB-CG 4.5Å; V86-P104 HydrophobicContact CG2-CG 3.68Å; V86-M114 HydrophobicContact CB-CE 4.06Å; V86-M114 HydrophobicContact CB-CG 4.29Å; V86-M114 HydrophobicContact CB-SD 3.87Å; V86-M114 HydrophobicContact CG1-CE 3.9Å; V86-M114 HydrophobicContact CG1-CG 4.06Å; V86-M114 HydrophobicContact CG1-SD 4.12Å; V86-M114 HydrophobicContact CG2-CG 4.05Å; V86-M114 HydrophobicContact CG2-SD 3.92Å; V86-V128 HydrophobicContact CG1-CG1 4.15Å; V86-E129 CarbonylContact C-O 3.54Å; V86-E129 VanDerWaalsContact CA-O 3.28Å; V86-E129 WeakPolarHBondContact CA-O 3.41Å; V86-I130 HydrophobicContact CG2-CG1 4.27Å; V86-I130 HydrophobicContact CG2-CG2 4.19Å
87	K	98.1	Very high	94	Very high	132 Å²	132	75.8 Å²	75.8	57%	0.574	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.2	133.7	171.9	-177.5	-179.7	178.5	-176.8	0	109	E129	K87-E129 HydrophobicContact CB-CB 4.29Å; K87-E129 PolarHBondContact N-O 3.47Å; K87-E129 PolarHBondContact O-N 2.8Å
88	I	98.3	Very high	94	Very high	14 Å²	14	78.2 Å²	78.2	7%	0.072	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	130.1	177.7	-52.1	-179.3	0	0	0	108.3	V86 I99 V101 M114 Y116 L126 K127 V128	V86-I88 HydrophobicContact CG1-CD1 4.35Å; V86-I88 HydrophobicContact CG1-CG1 4.02Å; I88-I99 HydrophobicContact CG2-CD1 4.08Å; I88-I99 HydrophobicContact CG2-CG2 4.48Å; I88-V101 HydrophobicContact CB-CG2 3.91Å; I88-V101 HydrophobicContact CD1-CG1 4.19Å; I88-V101 HydrophobicContact CD1-CG2 4.32Å; I88-V101 HydrophobicContact CG1-CG1 4.05Å; I88-V101 HydrophobicContact CG1-CG2 4.19Å; I88-M114 HydrophobicContact CD1-CE 4.48Å; I88-Y116 HydrophobicContact CD1-CD1 3.47Å; I88-Y116 VanDerWaalsContact CD1-CD1 3.47Å; I88-Y116 HydrophobicContact CD1-CD2 3.89Å; I88-Y116 HydrophobicContact CD1-CE1 3.93Å; I88-Y116 HydrophobicContact CD1-CE2 4.31Å; I88-Y116 HydrophobicContact CD1-CG 3.44Å; I88-Y116 VanDerWaalsContact CD1-CG 3.44Å; I88-L126 HydrophobicContact CG2-CB 4.34Å; I88-L126 HydrophobicContact CG2-CD1 4.21Å; I88-L126 HydrophobicContact CG2-CD2 4.42Å; I88-K127 WeakPolarHBondContact CA-O 2.96Å; I88-V128 HydrophobicContact CD1-CG1 4.46Å; I88-V128 HydrophobicContact CD1-CG2 4.29Å; I88-V128 HydrophobicContact CG1-CB 4.47Å; I88-V128 HydrophobicContact CG1-CG1 4.16Å; I88-V128 HydrophobicContact CG1-CG2 4.12Å; I88-V128 HydrophobicContact CG2-CG2 4.17Å
89	S	97.2	Very high	94.1	Very high	28 Å²	28	77.3 Å²	77.3	20%	0.196	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	154.7	-179.9	58.6	0	0	0	0	110.6	L126 K127	S89-L126 WeakPolarHBondContact O-CA 3.48Å; S89-K127 PolarHBondContact N-O 2.86Å; S89-K127 PolarHBondContact O-N 3Å
90	P	96.9	Very high	94.3	Very high	24 Å²	24	78.8 Å²	78.8	16%	0.156	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	152.2	169.8	27.7	-33.9	0	0	0	111.4	N92 E95 I97 G125	P90-N92 WeakPolarHBondContact CB-O 3.48Å; P90-E95 HydrophobicContact CB-CB 4.09Å; P90-E95 HydrophobicContact CG-CB 4.41Å; P90-E95 WeakPolarHBondContact CG-O 3.35Å; P90-I97 HydrophobicContact CB-CD1 4.3Å; P90-G125 WeakPolarHBondContact CA-O 3.15Å
91	L	96.6	Very high	94.5	Very high	60 Å²	60	79.3 Å²	79.3	31%	0.314	38%	0.375	S	S	.	.	S	Bend	trans	-69.6	-44	174.6	-72	171.4	0	0	0	111.1	G125 K127 V143	L91-G125 PolarHBondContact N-O 3.34Å; L91-K127 HydrophobicContact CD2-CB 3.89Å; L91-V143 HydrophobicContact CD1-CG1 3.79Å; L91-V143 HydrophobicContact CD2-CG1 3.92Å; L91-V143 HydrophobicContact CD2-CG2 4.46Å
92	N	94.4	Very high	94.9	Very high	38 Å²	38	71.9 Å²	71.9	20%	0.203	34%	0.344	C	S	.	.	S	Bend	trans	-83.6	119.7	169.9	-173.3	-15.4	0	0	0	109.9	P90 E94 E95 E124	P90-N92 WeakPolarHBondContact CB-O 3.48Å; N92-E94 PolarHBondContact O-N 3.08Å; N92-E94 WeakPolarHBondContact OD1-CB 3.2Å; N92-E94 PolarHBondContact OD1-N 3.44Å; N92-E95 HydrophobicContact CB-CG 4.01Å; N92-E95 WeakPolarHBondContact O-CB 3.38Å; N92-E95 PolarHBondContact O-N 2.67Å; N92-E124 HydrophobicContact CB-CB 4.28Å; N92-E124 HydrophobicContact CB-CG 4.27Å; N92-E124 PolarHBondContact ND2-OE1 2.97Å
93	K	88.7	Confident	95.1	Very high	189 Å²	189	74.2 Å²	74.2	82%	0.822	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-14.8	-178.5	-65.9	-179	-178.3	174.5	0	113.5	E95	K93-E95 VanDerWaalsContact C-N 3.32Å
94	E	91.3	Very high	95.2	Very high	161 Å²	161	74.2 Å²	74.2	75%	0.752	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-16.6	175.4	-57.3	-179.5	174.9	0	0	111.6	N92 Y96	N92-E94 PolarHBondContact O-N 3.08Å; N92-E94 WeakPolarHBondContact OD1-CB 3.2Å; N92-E94 PolarHBondContact OD1-N 3.44Å; E94-Y96 WeakPolarHBondContact O-CD2 3.17Å; E94-Y96 PolarHBondContact O-N 2.77Å
95	E	88.4	Confident	95.2	Very high	31 Å²	31	75 Å²	75	15%	0.145	35%	0.354	C	S	.	.			trans	-74	109.4	171.3	-68.9	179.6	-161.7	0	0	110.4	P90 N92 K93 I97 A122 V123 E124	P90-E95 HydrophobicContact CB-CB 4.09Å; P90-E95 HydrophobicContact CG-CB 4.41Å; P90-E95 WeakPolarHBondContact CG-O 3.35Å; N92-E95 HydrophobicContact CB-CG 4.01Å; N92-E95 WeakPolarHBondContact O-CB 3.38Å; N92-E95 PolarHBondContact O-N 2.67Å; K93-E95 VanDerWaalsContact C-N 3.32Å; E95-I97 HydrophobicContact CB-CD1 3.96Å; E95-I97 HydrophobicContact CB-CG1 4.32Å; E95-I97 PolarHBondContact O-N 2.94Å; E95-I97 WeakPolarHBondContact OE2-CD1 3.41Å; E95-A122 WeakPolarHBondContact OE2-CA 3.44Å; E95-V123 VanDerWaalsContact OE1-CB 3.32Å; E95-V123 WeakPolarHBondContact OE1-CB 3.37Å; E95-V123 PolarHBondContact OE1-N 3.42Å; E95-V123 PolarHBondContact OE2-N 3.11Å; E95-E124 PolarHBondContact OE1-N 3.3Å
96	Y	86.4	Confident	95.2	Very high	226 Å²	226	69.8 Å²	69.8	89%	0.886	33%	0.332	S	S	*	.			trans	-85.9	92.1	173.8	-69.7	-81	0	0	0	111	E94	E94-Y96 WeakPolarHBondContact O-CD2 3.17Å; E94-Y96 PolarHBondContact O-N 2.77Å
97	I	91	Very high	95.1	Very high	29 Å²	29	70.4 Å²	70.4	15%	0.149	33%	0.332	C	S	.	.			trans	-117.9	124.4	179.8	-58.9	162.1	0	0	0	109.9	P90 E95 I99 G120 S121 A122	P90-I97 HydrophobicContact CB-CD1 4.3Å; E95-I97 HydrophobicContact CB-CD1 3.96Å; E95-I97 HydrophobicContact CB-CG1 4.32Å; E95-I97 PolarHBondContact O-N 2.94Å; E95-I97 WeakPolarHBondContact OE2-CD1 3.41Å; I97-I99 HydrophobicContact CG2-CG1 3.97Å; I97-I99 PolarHBondContact O-N 3.04Å; I97-G120 VanDerWaalsContact CG2-O 3.31Å; I97-G120 WeakPolarHBondContact CG2-O 3.45Å; I97-S121 VanDerWaalsContact CD1-O 3.26Å; I97-S121 WeakPolarHBondContact CD1-O 3.24Å; I97-A122 HydrophobicContact CD1-CB 3.6Å
98	R	93.9	Very high	94.9	Very high	180 Å²	180	66 Å²	66	68%	0.679	32%	0.323	S	S	*	.			trans	-76.1	119.7	171.2	179.4	-176.3	-179.7	-169.7	-0.4	109.5	Y119	R98-Y119 HydrophobicContact CG-CD2 3.95Å; R98-Y119 HydrophobicContact CG-CG 4.39Å; R98-Y119 WeakPolarHBondContact O-CB 3.17Å; R98-Y119 PolarHBondContact O-N 2.97Å
99	I	96.3	Very high	94.7	Very high	32 Å²	32	67.5 Å²	67.5	16%	0.164	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	125.3	175.5	-45.8	-177.3	0	0	0	108.4	I88 I97 V101 Y116 R117 L118 L126	I88-I99 HydrophobicContact CG2-CD1 4.08Å; I88-I99 HydrophobicContact CG2-CG2 4.48Å; I97-I99 HydrophobicContact CG2-CG1 3.97Å; I97-I99 PolarHBondContact O-N 3.04Å; I99-V101 HydrophobicContact CB-CG2 4.2Å; I99-V101 HydrophobicContact CG2-CG2 3.54Å; I99-Y116 HydrophobicContact CG2-CD2 4.15Å; I99-R117 WeakPolarHBondContact CA-O 3.4Å; I99-L118 HydrophobicContact CB-CD2 4.4Å; I99-L118 HydrophobicContact CD1-CD2 3.85Å; I99-L118 HydrophobicContact CG1-CD2 3.77Å; I99-L118 HydrophobicContact CG2-CD2 3.96Å; I99-L126 HydrophobicContact CD1-CD2 3.76Å
100	H	97.3	Very high	94.6	Very high	80 Å²	80	66.2 Å²	66.2	37%	0.37	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	116.1	172.1	-179.9	-150.8	0	0	0	109.7	Y116 R117 Y119 M294	H100-Y116 VanDerWaalsContact O-CA 3.25Å; H100-Y116 WeakPolarHBondContact O-CA 3.36Å; H100-Y116 WeakPolarHBondContact O-CB 3.01Å; H100-R117 HydrophobicContact CB-CB 4.49Å; H100-R117 PolarHBondContact N-O 3.41Å; H100-R117 PolarHBondContact O-N 2.98Å; H100-Y119 HydrophobicContact CB-CE2 3.85Å; H100-M294 HydrophobicContact CB-CE 4.3Å; H100-M294 VanDerWaalsContact ND1-CE 3.34Å; H100-M294 WeakPolarHBondContact ND1-CE 3.42Å
101	V	97.8	Very high	94.7	Very high	39 Å²	39	65.2 Å²	65.2	24%	0.236	32%	0.317	C	S	.	.			trans	-126.6	80	-172.8	-169.8	0	0	0	0	108.9	V86 I88 I99 M114	V86-V101 HydrophobicContact CG1-CG1 4.36Å; I88-V101 HydrophobicContact CB-CG2 3.91Å; I88-V101 HydrophobicContact CD1-CG1 4.19Å; I88-V101 HydrophobicContact CD1-CG2 4.32Å; I88-V101 HydrophobicContact CG1-CG1 4.05Å; I88-V101 HydrophobicContact CG1-CG2 4.19Å; I99-V101 HydrophobicContact CB-CG2 4.2Å; I99-V101 HydrophobicContact CG2-CG2 3.54Å; V101-M114 HydrophobicContact CB-CE 4.36Å; V101-M114 HydrophobicContact CG1-CE 3.25Å
102	P	96.7	Very high	94.8	Very high	20 Å²	20	62.4 Å²	62.4	13%	0.13	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-67.2	163.5	174.6	30.4	-38	0	0	0	111.4	M114 R115 M294	P102-M114 WeakPolarHBondContact O-CE 3.24Å; P102-R115 VanDerWaalsContact CD-O 3.31Å; P102-R115 WeakPolarHBondContact CD-O 3.32Å; P102-R115 HydrophobicContact CG-CG 3.82Å; P102-M294 HydrophobicContact CG-CE 3.57Å; P102-M294 HydrophobicContact CG-SD 4.11Å
103	P	97.3	Very high	95	Very high	103 Å²	103	60.6 Å²	60.6	67%	0.669	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-56.2	145.8	172.4	-24.9	34.8	0	0	0	112.3	L105	P103-L105 PolarHBondContact O-N 3.47Å
104	P	98.2	Very high	95.4	Very high	16 Å²	16	51.6 Å²	51.6	10%	0.104	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-54.7	138.7	172.6	-24.2	32.5	0	0	0	112.1	F84 V86 D106 F112 M114	F84-P104 HydrophobicContact CB-CG 4.31Å; V86-P104 HydrophobicContact CB-CG 4.5Å; V86-P104 HydrophobicContact CG2-CG 3.68Å; P104-D106 PolarHBondContact O-N 3.49Å; P104-F112 HydrophobicContact CB-CB 4.07Å; P104-F112 HydrophobicContact CB-CD1 4.23Å; P104-M114 HydrophobicContact CB-SD 4.31Å; P104-M114 HydrophobicContact CG-SD 3.76Å
105	L	97.8	Very high	95.7	Very high	21 Å²	21	45.6 Å²	45.6	11%	0.11	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	115.3	175.4	-67.4	176.8	0	0	0	109.5	P103 R107 F112 L113 L302	P103-L105 PolarHBondContact O-N 3.47Å; L105-R107 PolarHBondContact O-N 3.07Å; L105-F112 CarbonylContact O-C 3.54Å; L105-F112 VanDerWaalsContact O-CA 3.24Å; L105-F112 WeakPolarHBondContact O-CA 3.3Å; L105-L113 HydrophobicContact CB-CB 4.24Å; L105-L113 HydrophobicContact CD1-CD2 4.32Å; L105-L113 PolarHBondContact N-O 3.29Å; L105-L113 PolarHBondContact O-N 3.27Å; L105-L302 WeakPolarHBondContact CD1-O 3.24Å
106	D	97.4	Very high	96.2	Very high	20 Å²	20	44.1 Å²	44.1	11%	0.107	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	119.4	170.4	176.3	3.3	0	0	0	110.2	S78 K81 P104 G108 F112 G306	S78-D106 VanDerWaalsContact CB-OD2 3.24Å; S78-D106 WeakPolarHBondContact CB-OD2 3.34Å; S78-D106 PolarHBondContact OG-OD2 3.14Å; K81-D106 HydrophobicContact CG-CB 4.46Å; P104-D106 PolarHBondContact O-N 3.49Å; D106-G108 VanDerWaalsContact C-N 3.33Å; D106-G108 PolarHBondContact OD1-N 3.5Å; D106-F112 HydrophobicContact CB-CD1 3.95Å; D106-F112 HydrophobicContact CB-CE1 3.63Å; D106-F112 HydrophobicContact CB-CZ 4.34Å; D106-G306 WeakPolarHBondContact O-CA 3.5Å
107	R	96.5	Very high	96.7	Very high	36 Å²	36	33.4 Å²	33.4	14%	0.136	17%	0.174	C	C	.	.			trans	-86.9	-2	-176.1	-74.4	176	44.1	-178.7	-12.9	113.8	L105 D109 S111 L113 Q305 R457	L105-R107 PolarHBondContact O-N 3.07Å; R107-D109 WeakPolarHBondContact CB-OD1 3.33Å; R107-D109 IonicContact CZ-OD2 2.93Å; R107-D109 IonicContact NE-OD2 3.6Å; R107-D109 IonicContact NH2-OD2 3.86Å; R107-D109 PolarHBondContact NH2-OD2 2.93Å; R107-D109 PolarHBondContact O-N 3.05Å; R107-S111 WeakPolarHBondContact CB-O 3.35Å; R107-S111 WeakPolarHBondContact CD-OG 3.44Å; R107-S111 VanDerWaalsContact CZ-OG 3.29Å; R107-S111 PolarHBondContact N-O 3.24Å; R107-S111 PolarHBondContact NE-OG 3.34Å; R107-S111 VanDerWaalsContact NE-OG 3.15Å; R107-L113 HydrophobicContact CG-CB 4.26Å; R107-Q305 HydrophobicContact CG-CB 4.38Å; R107-R457 VanDerWaalsContact NE-CZ 3.3Å; R107-R457 PolarHBondContact O-NH2 2.91Å; R107-R457 VanDerWaalsContact O-NH2 3.15Å
108	G	94.5	Very high	97	Very high	38 Å²	38	32.5 Å²	32.5	39%	0.392	17%	0.17	S	C	.	.	S	Bend	trans	81	-8.5	179.1	0	0	0	0	0	115	S78 D106	S78-G108 PolarHBondContact N-O 3.3Å; D106-G108 VanDerWaalsContact C-N 3.33Å; D106-G108 PolarHBondContact OD1-N 3.5Å
109	D	94.2	Very high	97	Very high	47 Å²	47	27.7 Å²	27.7	25%	0.251	15%	0.152	S	C	.	.	S	Bend	trans	-110.6	18	-173.2	59.7	8.1	0	0	0	112.5	L75 T76 R107 S111 R457	L75-D109 VanDerWaalsContact O-O 3.05Å; T76-D109 VanDerWaalsContact C-C 3.48Å; T76-D109 CarbonylContact C-O 3.54Å; T76-D109 WeakPolarHBondContact CA-O 3.39Å; T76-D109 CarbonylContact O-C 3.42Å; T76-D109 WeakPolarHBondContact O-CA 3.45Å; R107-D109 WeakPolarHBondContact CB-OD1 3.33Å; R107-D109 IonicContact CZ-OD2 2.93Å; R107-D109 IonicContact NE-OD2 3.6Å; R107-D109 IonicContact NH2-OD2 3.86Å; R107-D109 PolarHBondContact NH2-OD2 2.93Å; R107-D109 PolarHBondContact O-N 3.05Å; D109-S111 PolarHBondContact O-N 2.96Å; D109-S111 VanDerWaalsContact OD1-CB 3.32Å; D109-S111 WeakPolarHBondContact OD1-CB 3.26Å; D109-S111 PolarHBondContact OD1-N 3.02Å; D109-S111 PolarHBondContact OD1-OG 3.23Å; D109-R457 IonicContact OD2-CZ 3.8Å; D109-R457 IonicContact OD2-NH1 3.28Å; D109-R457 PolarHBondContact OD2-NH1 2.95Å
110	G	95.8	Very high	96.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	79.3	-3.7	-174.2	0	0	0	0	0	114.4	Q66 A67 L75 L77	Q66-G110 PolarHBondContact NE2-O 3.09Å; A67-G110 WeakPolarHBondContact CB-O 3.46Å; A67-G110 PolarHBondContact N-O 2.87Å; L75-G110 WeakPolarHBondContact O-CA 3.37Å; L77-G110 VanDerWaalsContact O-CA 3.28Å; L77-G110 WeakPolarHBondContact O-CA 3.33Å; L77-G110 PolarHBondContact O-N 2.91Å
111	S	97.6	Very high	96.8	Very high	4 Å²	4	24 Å²	24	3%	0.028	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	157.3	170.6	80.4	0	0	0	0	112.4	I65 R107 D109	I65-S111 CarbonylContact O-C 3.58Å; I65-S111 VanDerWaalsContact O-CA 3.31Å; I65-S111 WeakPolarHBondContact O-CA 3.43Å; R107-S111 WeakPolarHBondContact CB-O 3.35Å; R107-S111 WeakPolarHBondContact CD-OG 3.44Å; R107-S111 VanDerWaalsContact CZ-OG 3.29Å; R107-S111 PolarHBondContact N-O 3.24Å; R107-S111 PolarHBondContact NE-OG 3.34Å; R107-S111 VanDerWaalsContact NE-OG 3.15Å; D109-S111 PolarHBondContact O-N 2.96Å; D109-S111 VanDerWaalsContact OD1-CB 3.32Å; D109-S111 WeakPolarHBondContact OD1-CB 3.26Å; D109-S111 PolarHBondContact OD1-N 3.02Å; D109-S111 PolarHBondContact OD1-OG 3.23Å
112	F	98.6	Very high	96.7	Very high	1 Å²	1	22.1 Å²	22.1	0%	0.004	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	140.1	177.6	-65.6	-106.1	0	0	0	109.7	F64 I65 P79 G80 T83 F84 P104 L105 D106	F64-F112 CarbonylContact C-O 3.48Å; F64-F112 VanDerWaalsContact CA-O 3.23Å; F64-F112 WeakPolarHBondContact CA-O 3.4Å; I65-F112 HydrophobicContact CB-CB 4.3Å; I65-F112 PolarHBondContact N-O 2.87Å; I65-F112 PolarHBondContact O-N 3.2Å; P79-F112 HydrophobicContact CG-CE2 3.79Å; P79-F112 HydrophobicContact CG-CZ 3.78Å; G80-F112 WeakPolarHBondContact O-CZ 3.39Å; T83-F112 HydrophobicContact CG2-CE2 4.44Å; T83-F112 HydrophobicContact CG2-CZ 4.2Å; F84-F112 HydrophobicContact CD2-CB 4.39Å; F84-F112 HydrophobicContact CD2-CD1 4.22Å; F84-F112 AromaticContact CD2-CD2 3.55Å; F84-F112 HydrophobicContact CD2-CD2 3.55Å; F84-F112 HydrophobicContact CD2-CE1 4.42Å; F84-F112 AromaticContact CD2-CE2 3.8Å; F84-F112 HydrophobicContact CD2-CE2 3.8Å; F84-F112 AromaticContact CD2-CG 3.8Å; F84-F112 HydrophobicContact CD2-CG 3.8Å; F84-F112 HydrophobicContact CD2-CZ 4.23Å; F84-F112 AromaticContact CE2-CD2 3.46Å; F84-F112 HydrophobicContact CE2-CD2 3.46Å; F84-F112 VanDerWaalsContact CE2-CD2 3.46Å; F84-F112 AromaticContact CE2-CE2 3.57Å; F84-F112 HydrophobicContact CE2-CE2 3.57Å; F84-F112 HydrophobicContact CE2-CG 4.19Å; F84-F112 HydrophobicContact CE2-CZ 4.34Å; P104-F112 HydrophobicContact CB-CB 4.07Å; P104-F112 HydrophobicContact CB-CD1 4.23Å; L105-F112 CarbonylContact O-C 3.54Å; L105-F112 VanDerWaalsContact O-CA 3.24Å; L105-F112 WeakPolarHBondContact O-CA 3.3Å; D106-F112 HydrophobicContact CB-CD1 3.95Å; D106-F112 HydrophobicContact CB-CE1 3.63Å; D106-F112 HydrophobicContact CB-CZ 4.34Å
113	L	98.5	Very high	96.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	108.6	173.1	170.1	62.5	0	0	0	109.1	Y62 F64 L105 R107 L302 Q305	Y62-L113 HydrophobicContact CD2-CD1 3.93Å; Y62-L113 HydrophobicContact CG-CD1 4.26Å; F64-L113 HydrophobicContact CD1-CB 4.4Å; F64-L113 HydrophobicContact CD1-CD1 4.06Å; F64-L113 HydrophobicContact CE1-CB 4.4Å; F64-L113 HydrophobicContact CE1-CD1 3.64Å; F64-L113 HydrophobicContact CZ-CD1 4.19Å; L105-L113 HydrophobicContact CB-CB 4.24Å; L105-L113 HydrophobicContact CD1-CD2 4.32Å; L105-L113 PolarHBondContact N-O 3.29Å; L105-L113 PolarHBondContact O-N 3.27Å; R107-L113 HydrophobicContact CG-CB 4.26Å; L113-L302 HydrophobicContact CD2-CB 4Å; L113-L302 HydrophobicContact CD2-CD2 4.05Å; L113-Q305 HydrophobicContact CD2-CB 4.28Å
114	M	98.4	Very high	96.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	135.9	171.2	-176.8	53	-156.9	0	0	110	Y62 F63 V86 I88 V101 P102 P104	Y62-M114 CarbonylContact C-O 3.58Å; Y62-M114 WeakPolarHBondContact CA-O 3.18Å; Y62-M114 VanDerWaalsContact CB-O 3.27Å; Y62-M114 WeakPolarHBondContact CB-O 3.43Å; F63-M114 HydrophobicContact CD1-CB 4.16Å; F63-M114 HydrophobicContact CD1-CG 4.15Å; F63-M114 HydrophobicContact CD2-CB 3.9Å; F63-M114 HydrophobicContact CE1-CB 3.87Å; F63-M114 HydrophobicContact CE1-CG 3.46Å; F63-M114 VanDerWaalsContact CE1-CG 3.46Å; F63-M114 HydrophobicContact CE2-CB 3.58Å; F63-M114 HydrophobicContact CE2-CG 3.86Å; F63-M114 HydrophobicContact CG-CB 4.18Å; F63-M114 HydrophobicContact CZ-CB 3.59Å; F63-M114 HydrophobicContact CZ-CG 3.31Å; F63-M114 PolarHBondContact N-O 3.31Å; F63-M114 PolarHBondContact O-N 3.07Å; V86-M114 HydrophobicContact CB-CE 4.06Å; V86-M114 HydrophobicContact CB-CG 4.29Å; V86-M114 HydrophobicContact CB-SD 3.87Å; V86-M114 HydrophobicContact CG1-CE 3.9Å; V86-M114 HydrophobicContact CG1-CG 4.06Å; V86-M114 HydrophobicContact CG1-SD 4.12Å; V86-M114 HydrophobicContact CG2-CG 4.05Å; V86-M114 HydrophobicContact CG2-SD 3.92Å; I88-M114 HydrophobicContact CD1-CE 4.48Å; V101-M114 HydrophobicContact CB-CE 4.36Å; V101-M114 HydrophobicContact CG1-CE 3.25Å; P102-M114 WeakPolarHBondContact O-CE 3.24Å; P104-M114 HydrophobicContact CB-SD 4.31Å; P104-M114 HydrophobicContact CG-SD 3.76Å
115	R	98	Very high	96.4	Very high	34 Å²	34	22.6 Å²	22.6	13%	0.128	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	139	-178.6	58.1	179.2	-175.7	164.7	-6.7	110.7	V60 R61 P102 M294 D300 S303	V60-R115 HydrophobicContact CG1-CB 3.88Å; R61-R115 CarbonylContact O-C 3.49Å; R61-R115 WeakPolarHBondContact O-CA 3.09Å; P102-R115 VanDerWaalsContact CD-O 3.31Å; P102-R115 WeakPolarHBondContact CD-O 3.32Å; P102-R115 HydrophobicContact CG-CG 3.82Å; R115-M294 HydrophobicContact CB-SD 3.88Å; R115-M294 VanDerWaalsContact CD-SD 3.57Å; R115-M294 HydrophobicContact CG-SD 3.6Å; R115-D300 IonicContact NH1-OD2 2.69Å; R115-S303 PolarHBondContact NH1-OG 2.87Å; R115-S303 PolarHBondContact NH2-OG 3.45Å
116	Y	98.1	Very high	96.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	149.8	177.3	69.4	-83.7	0	0	0	111.9	G51 R61 F63 I88 I99 H100 L118 L126	G51-Y116 WeakPolarHBondContact O-CE1 3.16Å; G51-Y116 PolarHBondContact O-OH 2.9Å; R61-Y116 HydrophobicContact CB-CD1 3.95Å; R61-Y116 HydrophobicContact CB-CD2 4.25Å; R61-Y116 HydrophobicContact CB-CE1 3.45Å; R61-Y116 VanDerWaalsContact CB-CE1 3.45Å; R61-Y116 HydrophobicContact CB-CE2 3.79Å; R61-Y116 HydrophobicContact CB-CG 4.33Å; R61-Y116 WeakPolarHBondContact CD-OH 3.39Å; R61-Y116 HydrophobicContact CG-CE2 4.29Å; R61-Y116 PolarHBondContact N-O 2.82Å; R61-Y116 PolarHBondContact O-N 3.45Å; F63-Y116 HydrophobicContact CD1-CE1 4.33Å; F63-Y116 HydrophobicContact CE1-CD1 4.48Å; F63-Y116 HydrophobicContact CE1-CE1 4.39Å; I88-Y116 HydrophobicContact CD1-CD1 3.47Å; I88-Y116 VanDerWaalsContact CD1-CD1 3.47Å; I88-Y116 HydrophobicContact CD1-CD2 3.89Å; I88-Y116 HydrophobicContact CD1-CE1 3.93Å; I88-Y116 HydrophobicContact CD1-CE2 4.31Å; I88-Y116 HydrophobicContact CD1-CG 3.44Å; I88-Y116 VanDerWaalsContact CD1-CG 3.44Å; I99-Y116 HydrophobicContact CG2-CD2 4.15Å; H100-Y116 VanDerWaalsContact O-CA 3.25Å; H100-Y116 WeakPolarHBondContact O-CA 3.36Å; H100-Y116 WeakPolarHBondContact O-CB 3.01Å; Y116-L118 HydrophobicContact CD2-CD2 4.45Å; Y116-L118 HydrophobicContact CD2-CG 4.43Å; Y116-L118 HydrophobicContact CE2-CD2 4.34Å; Y116-L118 HydrophobicContact CE2-CG 4.24Å; Y116-L126 HydrophobicContact CE2-CD1 4.05Å
117	R	97.4	Very high	96.4	Very high	1 Å²	1	23.5 Å²	23.5	0%	0.004	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	131	179	-173.3	165.2	-172.4	121.9	5.1	110.6	V60 I99 H100 Y119 Y152 L291 T293 M294	V60-R117 HydrophobicContact CG2-CB 4.29Å; I99-R117 WeakPolarHBondContact CA-O 3.4Å; H100-R117 HydrophobicContact CB-CB 4.49Å; H100-R117 PolarHBondContact N-O 3.41Å; H100-R117 PolarHBondContact O-N 2.98Å; R117-Y119 HydrophobicContact CB-CE2 4.39Å; R117-Y119 HydrophobicContact CG-CE2 4.18Å; R117-Y152 PolarHBondContact NH2-OH 2.92Å; R117-L291 PolarHBondContact NH1-O 3.13Å; R117-L291 VanDerWaalsContact NH1-O 3.1Å; R117-T293 PolarHBondContact NH1-O 3.37Å; R117-M294 HydrophobicContact CB-CE 4.16Å
118	L	96.1	Very high	96.5	Very high	10 Å²	10	21.8 Å²	21.8	5%	0.052	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	134.8	173.1	-63	171.4	0	0	0	109.5	I99 Y116 L126 V148 H150	I99-L118 HydrophobicContact CB-CD2 4.4Å; I99-L118 HydrophobicContact CD1-CD2 3.85Å; I99-L118 HydrophobicContact CG1-CD2 3.77Å; I99-L118 HydrophobicContact CG2-CD2 3.96Å; Y116-L118 HydrophobicContact CD2-CD2 4.45Å; Y116-L118 HydrophobicContact CD2-CG 4.43Å; Y116-L118 HydrophobicContact CE2-CD2 4.34Å; Y116-L118 HydrophobicContact CE2-CG 4.24Å; L118-L126 HydrophobicContact CD1-CD1 4.39Å; L118-L126 HydrophobicContact CD2-CD1 4.1Å; L118-L126 HydrophobicContact CD2-CD2 4.47Å; L118-V148 HydrophobicContact CD1-CG1 3.78Å; L118-H150 HydrophobicContact CB-CB 3.67Å
119	Y	94.6	Very high	96.7	Very high	80 Å²	80	22.4 Å²	22.4	31%	0.314	11%	0.111	S	C	.	.	S	Bend	trans	-109.5	15	171.2	-66.2	-89.3	0	0	0	112.1	R98 H100 R117	R98-Y119 HydrophobicContact CG-CD2 3.95Å; R98-Y119 HydrophobicContact CG-CG 4.39Å; R98-Y119 WeakPolarHBondContact O-CB 3.17Å; R98-Y119 PolarHBondContact O-N 2.97Å; H100-Y119 HydrophobicContact CB-CE2 3.85Å; R117-Y119 HydrophobicContact CB-CE2 4.39Å; R117-Y119 HydrophobicContact CG-CE2 4.18Å
120	G	94.5	Very high	96.9	Very high	15 Å²	15	20.1 Å²	20.1	16%	0.155	10%	0.099	C	C	.	.	S	Bend	trans	-170.6	155.5	175	0	0	0	0	0	109	I97	I97-G120 VanDerWaalsContact CG2-O 3.31Å; I97-G120 WeakPolarHBondContact CG2-O 3.45Å
121	S	95.1	Very high	97.1	Very high	19 Å²	19	22.8 Å²	22.8	13%	0.133	11%	0.113	C	C	.	.			trans	-82.4	135.8	-179.6	-61.1	0	0	0	0	111	I97 V148 H150	I97-S121 VanDerWaalsContact CD1-O 3.26Å; I97-S121 WeakPolarHBondContact CD1-O 3.24Å; S121-V148 WeakPolarHBondContact CA-O 3.3Å; S121-H150 PolarHBondContact N-ND1 3.05Å; S121-H150 PolarHBondContact OG-N 3.07Å; S121-H150 PolarHBondContact OG-ND1 3.03Å
122	A	95.4	Very high	97.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-87.5	123.9	171.3	0	0	0	0	0	110.1	E95 I97 L126 P147 V148	E95-A122 WeakPolarHBondContact OE2-CA 3.44Å; I97-A122 HydrophobicContact CD1-CB 3.6Å; A122-L126 HydrophobicContact CB-CD2 3.63Å; A122-L126 HydrophobicContact CB-CG 4.08Å; A122-P147 CarbonylContact O-C 3.45Å; A122-P147 WeakPolarHBondContact O-CA 3.27Å; A122-V148 HydrophobicContact CB-CB 4.29Å; A122-V148 PolarHBondContact N-O 2.66Å; A122-V148 PolarHBondContact O-N 3.31Å
123	V	94.4	Very high	96.9	Very high	45 Å²	45	30.7 Å²	30.7	27%	0.273	15%	0.153	S	C	.	.	S	Bend	trans	-84.7	-47.8	-170.3	173.5	0	0	0	0	110.3	E95 P147	E95-V123 VanDerWaalsContact OE1-CB 3.32Å; E95-V123 WeakPolarHBondContact OE1-CB 3.37Å; E95-V123 PolarHBondContact OE1-N 3.42Å; E95-V123 PolarHBondContact OE2-N 3.11Å; V123-P147 WeakPolarHBondContact O-CA 3.48Å
124	E	94.8	Very high	96.6	Very high	103 Å²	103	36.7 Å²	36.7	48%	0.481	19%	0.185	S	C	.	.	S	Bend	trans	-83.9	-21.7	176.5	-69.7	-175.1	-148.8	0	0	113.3	N92 E95 G146	N92-E124 HydrophobicContact CB-CB 4.28Å; N92-E124 HydrophobicContact CB-CG 4.27Å; N92-E124 PolarHBondContact ND2-OE1 2.97Å; E95-E124 PolarHBondContact OE1-N 3.3Å; E124-G146 PolarHBondContact O-N 2.91Å
125	G	96.5	Very high	96.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	124.1	-167.9	175.5	0	0	0	0	0	114.2	P90 L91 I144	P90-G125 WeakPolarHBondContact CA-O 3.15Å; L91-G125 PolarHBondContact N-O 3.34Å; G125-I144 CarbonylContact C-O 3.54Å; G125-I144 WeakPolarHBondContact CA-O 3.42Å
126	L	98	Very high	96.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	145.6	-174.5	-61.1	175.9	0	0	0	111.9	I88 S89 I99 Y116 L118 A122 I144 V148	I88-L126 HydrophobicContact CG2-CB 4.34Å; I88-L126 HydrophobicContact CG2-CD1 4.21Å; I88-L126 HydrophobicContact CG2-CD2 4.42Å; S89-L126 WeakPolarHBondContact O-CA 3.48Å; I99-L126 HydrophobicContact CD1-CD2 3.76Å; Y116-L126 HydrophobicContact CE2-CD1 4.05Å; L118-L126 HydrophobicContact CD1-CD1 4.39Å; L118-L126 HydrophobicContact CD2-CD1 4.1Å; L118-L126 HydrophobicContact CD2-CD2 4.47Å; A122-L126 HydrophobicContact CB-CD2 3.63Å; A122-L126 HydrophobicContact CB-CG 4.08Å; L126-I144 HydrophobicContact CB-CB 4.3Å; L126-I144 HydrophobicContact CB-CD1 4.42Å; L126-I144 PolarHBondContact N-O 2.98Å; L126-I144 PolarHBondContact O-N 3.32Å; L126-V148 HydrophobicContact CD1-CB 4.33Å; L126-V148 HydrophobicContact CD1-CG1 3.86Å; L126-V148 HydrophobicContact CD1-CG2 4.43Å; L126-V148 HydrophobicContact CG-CB 4.38Å; L126-V148 HydrophobicContact CG-CG1 4.44Å; L126-V148 HydrophobicContact CG-CG2 4.22Å
127	K	98.1	Very high	96.5	Very high	61 Å²	61	39.4 Å²	39.4	27%	0.265	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	125.8	164.2	-171.7	-177.5	62.4	154.7	0	109	I88 S89 L91 E129 P141 Y142	I88-K127 WeakPolarHBondContact CA-O 2.96Å; S89-K127 PolarHBondContact N-O 2.86Å; S89-K127 PolarHBondContact O-N 3Å; L91-K127 HydrophobicContact CD2-CB 3.89Å; K127-E129 HydrophobicContact CD-CG 4.21Å; K127-E129 VanDerWaalsContact CE-CD 3.42Å; K127-E129 VanDerWaalsContact CE-OE2 3.26Å; K127-E129 WeakPolarHBondContact CE-OE2 3.39Å; K127-E129 HydrophobicContact CG-CG 4.3Å; K127-E129 IonicContact NZ-OE1 2.75Å; K127-E129 PolarHBondContact NZ-OE1 2.81Å; K127-E129 IonicContact NZ-OE2 2.99Å; K127-E129 PolarHBondContact NZ-OE2 3.5Å; K127-P141 HydrophobicContact CD-CB 4.2Å; K127-P141 HydrophobicContact CG-CB 3.93Å; K127-Y142 WeakPolarHBondContact CA-O 3.2Å
128	V	98.6	Very high	96.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	110.9	175.8	-178.9	0	0	0	0	109	L52 F63 V86 I88 I130 P141 Y142 I144	L52-V128 HydrophobicContact CD2-CG1 4.49Å; L52-V128 HydrophobicContact CD2-CG2 4.43Å; F63-V128 HydrophobicContact CE1-CG1 4.01Å; F63-V128 HydrophobicContact CZ-CG1 3.8Å; V86-V128 HydrophobicContact CG1-CG1 4.15Å; I88-V128 HydrophobicContact CD1-CG1 4.46Å; I88-V128 HydrophobicContact CD1-CG2 4.29Å; I88-V128 HydrophobicContact CG1-CB 4.47Å; I88-V128 HydrophobicContact CG1-CG1 4.16Å; I88-V128 HydrophobicContact CG1-CG2 4.12Å; I88-V128 HydrophobicContact CG2-CG2 4.17Å; V128-I130 HydrophobicContact CG1-CD1 4.45Å; V128-I130 HydrophobicContact CG1-CG1 4.09Å; V128-P141 CarbonylContact O-C 3.51Å; V128-P141 WeakPolarHBondContact O-CA 3.33Å; V128-Y142 PolarHBondContact N-O 2.77Å; V128-Y142 PolarHBondContact O-N 2.82Å; V128-I144 HydrophobicContact CG2-CD1 3.82Å; V128-I144 HydrophobicContact CG2-CG1 4.43Å
129	E	98.6	Very high	96.6	Very high	50 Å²	50	47.7 Å²	47.7	23%	0.234	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	119.4	177.4	-71.7	170.1	129.7	0	0	109.1	V86 K87 K127 P141	V86-E129 CarbonylContact C-O 3.54Å; V86-E129 VanDerWaalsContact CA-O 3.28Å; V86-E129 WeakPolarHBondContact CA-O 3.41Å; K87-E129 HydrophobicContact CB-CB 4.29Å; K87-E129 PolarHBondContact N-O 3.47Å; K87-E129 PolarHBondContact O-N 2.8Å; K127-E129 HydrophobicContact CD-CG 4.21Å; K127-E129 VanDerWaalsContact CE-CD 3.42Å; K127-E129 VanDerWaalsContact CE-OE2 3.26Å; K127-E129 WeakPolarHBondContact CE-OE2 3.39Å; K127-E129 HydrophobicContact CG-CG 4.3Å; K127-E129 IonicContact NZ-OE1 2.75Å; K127-E129 PolarHBondContact NZ-OE1 2.81Å; K127-E129 IonicContact NZ-OE2 2.99Å; K127-E129 PolarHBondContact NZ-OE2 3.5Å; E129-P141 HydrophobicContact CG-CB 3.96Å
130	I	98.7	Very high	96.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	124.7	176.2	-48.4	173	0	0	0	108.1	V47 F63 I65 K85 V86 V128 V137 S140 Y142	V47-I130 HydrophobicContact CB-CD1 4.39Å; V47-I130 HydrophobicContact CG1-CD1 3.64Å; V47-I130 HydrophobicContact CG2-CD1 3.93Å; F63-I130 HydrophobicContact CE2-CD1 3.56Å; F63-I130 HydrophobicContact CE2-CG1 4.36Å; F63-I130 HydrophobicContact CZ-CD1 3.96Å; F63-I130 HydrophobicContact CZ-CG1 4.36Å; I65-I130 HydrophobicContact CD1-CD1 4.46Å; I65-I130 HydrophobicContact CD1-CG2 3.74Å; I65-I130 HydrophobicContact CG1-CD1 4.49Å; K85-I130 WeakPolarHBondContact O-CA 3.38Å; V86-I130 HydrophobicContact CG2-CG1 4.27Å; V86-I130 HydrophobicContact CG2-CG2 4.19Å; V128-I130 HydrophobicContact CG1-CD1 4.45Å; V128-I130 HydrophobicContact CG1-CG1 4.09Å; I130-V137 HydrophobicContact CB-CB 4.06Å; I130-V137 HydrophobicContact CG2-CB 3.69Å; I130-V137 HydrophobicContact CG2-CG1 4.03Å; I130-V137 HydrophobicContact CG2-CG2 3.92Å; I130-V137 PolarHBondContact O-N 2.82Å; I130-S140 PolarHBondContact N-OG 2.72Å; I130-S140 VanDerWaalsContact O-CB 3.3Å; I130-S140 WeakPolarHBondContact O-CB 3.3Å; I130-S140 PolarHBondContact O-OG 3.16Å; I130-Y142 HydrophobicContact CD1-CD2 4.05Å; I130-Y142 HydrophobicContact CD1-CE2 3.75Å; I130-Y142 HydrophobicContact CG1-CE2 4.49Å
131	L	98.3	Very high	96.9	Very high	56 Å²	56	47.2 Å²	47.2	29%	0.293	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	142.3	-174.7	-57.5	174.5	0	0	0	111.6	F84 K85 A135	F84-L131 WeakPolarHBondContact CA-O 3.41Å; K85-L131 HydrophobicContact CB-CB 4.49Å; K85-L131 PolarHBondContact N-O 2.75Å; K85-L131 PolarHBondContact O-N 3.46Å; L131-A135 CarbonylContact C-O 3.53Å; L131-A135 VanDerWaalsContact CA-O 3.25Å; L131-A135 WeakPolarHBondContact CA-O 3.44Å
132	H	97.6	Very high	97	Very high	27 Å²	27	47.1 Å²	47.1	13%	0.125	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	117.8	165.1	177.4	67.2	0	0	0	107.9	P42 T83 F84 D134 A135 V137	P42-H132 HydrophobicContact CB-CB 4.47Å; P42-H132 HydrophobicContact CG-CB 4.2Å; T83-H132 PolarHBondContact O-ND1 3.18Å; F84-H132 HydrophobicContact CD1-CB 4.01Å; F84-H132 HydrophobicContact CE1-CB 3.99Å; H132-D134 PolarHBondContact O-N 3.24Å; H132-A135 PolarHBondContact N-O 3.05Å; H132-A135 WeakPolarHBondContact O-CB 3.39Å; H132-A135 PolarHBondContact O-N 3.39Å; H132-V137 HydrophobicContact CB-CG2 3.83Å
133	L	94.3	Very high	97.2	Very high	144 Å²	144	51 Å²	51	75%	0.754	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.1	45.6	-175.3	-57.8	176.3	0	0	0	112.7	A135	L133-A135 PolarHBondContact O-N 3.44Å; L133-A135 VanDerWaalsContact O-N 3.07Å
134	D	92.9	Very high	97.3	Very high	126 Å²	126	49.1 Å²	49.1	67%	0.674	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.5	-0.5	-178.1	-51.9	-40.2	0	0	0	116.2	H132	H132-D134 PolarHBondContact O-N 3.24Å
135	A	97.1	Very high	97.3	Very high	43 Å²	43	52.1 Å²	52.1	36%	0.355	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	141.6	168.9	0	0	0	0	0	111.5	P42 L131 H132 L133 V137	P42-A135 HydrophobicContact CB-CB 4.15Å; P42-A135 HydrophobicContact CG-CB 3.91Å; L131-A135 CarbonylContact C-O 3.53Å; L131-A135 VanDerWaalsContact CA-O 3.25Å; L131-A135 WeakPolarHBondContact CA-O 3.44Å; H132-A135 PolarHBondContact N-O 3.05Å; H132-A135 WeakPolarHBondContact O-CB 3.39Å; H132-A135 PolarHBondContact O-N 3.39Å; L133-A135 PolarHBondContact O-N 3.44Å; L133-A135 VanDerWaalsContact O-N 3.07Å; A135-V137 PolarHBondContact O-N 3.35Å
136	A	98	Very high	96.7	Very high	48 Å²	48	53.4 Å²	53.4	40%	0.397	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	131.5	176.1	0	0	0	0	0	111.2	P42 S140	P42-A136 WeakPolarHBondContact CB-O 3.39Å; A136-S140 WeakPolarHBondContact CB-O 3.46Å
137	V	98.3	Very high	96.6	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-90.6	126	178.4	177.8	0	0	0	0	109.7	P42 C45 V47 I65 F84 I130 H132 A135 K139 S140	P42-V137 HydrophobicContact CB-CG2 4.4Å; P42-V137 CarbonylContact O-C 3.48Å; P42-V137 WeakPolarHBondContact O-CA 3.32Å; C45-V137 HydrophobicContact CB-CG1 3.48Å; C45-V137 VanDerWaalsContact CB-CG1 3.48Å; V47-V137 HydrophobicContact CG2-CG1 4.32Å; I65-V137 HydrophobicContact CG2-CG1 4.22Å; F84-V137 HydrophobicContact CD1-CG1 4.38Å; F84-V137 HydrophobicContact CD1-CG2 3.71Å; F84-V137 HydrophobicContact CE1-CG1 3.96Å; F84-V137 HydrophobicContact CE1-CG2 3.72Å; I130-V137 HydrophobicContact CB-CB 4.06Å; I130-V137 HydrophobicContact CG2-CB 3.69Å; I130-V137 HydrophobicContact CG2-CG1 4.03Å; I130-V137 HydrophobicContact CG2-CG2 3.92Å; I130-V137 PolarHBondContact O-N 2.82Å; H132-V137 HydrophobicContact CB-CG2 3.83Å; A135-V137 PolarHBondContact O-N 3.35Å; V137-K139 PolarHBondContact O-N 2.98Å; V137-S140 WeakPolarHBondContact O-CB 3.31Å; V137-S140 PolarHBondContact O-N 2.93Å
138	A	97.3	Very high	96.5	Very high	29 Å²	29	52.2 Å²	52.2	24%	0.24	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	51	-126.8	-176.8	0	0	0	0	0	111.1	P42 C45 V47 S140 Y142	P42-A138 PolarHBondContact O-N 3.4Å; C45-A138 VanDerWaalsContact O-CB 3.24Å; C45-A138 WeakPolarHBondContact O-CB 3.39Å; V47-A138 HydrophobicContact CG2-CB 4.07Å; A138-S140 VanDerWaalsContact C-N 3.29Å; A138-S140 PolarHBondContact O-N 3.23Å; A138-Y142 VanDerWaalsContact CB-OH 3.3Å; A138-Y142 WeakPolarHBondContact CB-OH 3.38Å
139	K	97.2	Very high	96.4	Very high	156 Å²	156	52.4 Å²	52.4	68%	0.678	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	19.3	177.4	66.8	174.7	179.2	-177.4	0	114.9	V137 P141 Y142	V137-K139 PolarHBondContact O-N 2.98Å; K139-P141 CarbonylContact O-C 3.59Å; K139-P141 VanDerWaalsContact O-O 3.1Å; K139-Y142 HydrophobicContact CD-CD1 4.3Å; K139-Y142 HydrophobicContact CD-CE1 3.9Å; K139-Y142 VanDerWaalsContact CE-CD1 3.4Å; K139-Y142 HydrophobicContact CG-CD1 4.05Å; K139-Y142 HydrophobicContact CG-CE1 3.46Å; K139-Y142 VanDerWaalsContact CG-CE1 3.46Å; K139-Y142 HydrophobicContact CG-CE2 4.08Å; K139-Y142 VanDerWaalsContact CG-CZ 3.4Å; K139-Y142 WeakPolarHBondContact CG-OH 3.2Å
140	S	97.6	Very high	96.3	Very high	14 Å²	14	50.1 Å²	50.1	10%	0.098	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-57.7	136.2	178.4	176.6	0	0	0	0	111.3	I130 A136 V137 A138	I130-S140 PolarHBondContact N-OG 2.72Å; I130-S140 VanDerWaalsContact O-CB 3.3Å; I130-S140 WeakPolarHBondContact O-CB 3.3Å; I130-S140 PolarHBondContact O-OG 3.16Å; A136-S140 WeakPolarHBondContact CB-O 3.46Å; V137-S140 WeakPolarHBondContact O-CB 3.31Å; V137-S140 PolarHBondContact O-N 2.93Å; A138-S140 VanDerWaalsContact C-N 3.29Å; A138-S140 PolarHBondContact O-N 3.23Å
141	P	97.9	Very high	96.1	Very high	71 Å²	71	50.5 Å²	50.5	46%	0.461	28%	0.284	S	S	.	.	S	Bend	cis	-76.9	145.1	2.4	31	-35	0	0	0	113.8	K127 V128 E129 K139	K127-P141 HydrophobicContact CD-CB 4.2Å; K127-P141 HydrophobicContact CG-CB 3.93Å; V128-P141 CarbonylContact O-C 3.51Å; V128-P141 WeakPolarHBondContact O-CA 3.33Å; E129-P141 HydrophobicContact CG-CB 3.96Å; K139-P141 CarbonylContact O-C 3.59Å; K139-P141 VanDerWaalsContact O-O 3.1Å
142	Y	98.3	Very high	96	Very high	17 Å²	17	49.7 Å²	49.7	7%	0.067	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	127.3	169.8	-61.2	-114.1	0	0	0	108.8	V47 L52 K127 V128 I130 A138 K139	V47-Y142 HydrophobicContact CB-CE1 4.17Å; V47-Y142 HydrophobicContact CB-CE2 4.42Å; V47-Y142 VanDerWaalsContact CB-OH 3.23Å; V47-Y142 WeakPolarHBondContact CB-OH 3.4Å; V47-Y142 HydrophobicContact CG1-CE1 4.37Å; V47-Y142 HydrophobicContact CG1-CE2 4.5Å; V47-Y142 HydrophobicContact CG2-CE2 4.33Å; V47-Y142 VanDerWaalsContact CG2-OH 3.26Å; V47-Y142 WeakPolarHBondContact CG2-OH 3.22Å; L52-Y142 HydrophobicContact CD1-CD1 3.94Å; L52-Y142 HydrophobicContact CD1-CE1 4.05Å; L52-Y142 HydrophobicContact CD2-CD1 4.36Å; L52-Y142 HydrophobicContact CD2-CG 4.42Å; K127-Y142 WeakPolarHBondContact CA-O 3.2Å; V128-Y142 PolarHBondContact N-O 2.77Å; V128-Y142 PolarHBondContact O-N 2.82Å; I130-Y142 HydrophobicContact CD1-CD2 4.05Å; I130-Y142 HydrophobicContact CD1-CE2 3.75Å; I130-Y142 HydrophobicContact CG1-CE2 4.49Å; A138-Y142 VanDerWaalsContact CB-OH 3.3Å; A138-Y142 WeakPolarHBondContact CB-OH 3.38Å; K139-Y142 HydrophobicContact CD-CD1 4.3Å; K139-Y142 HydrophobicContact CD-CE1 3.9Å; K139-Y142 VanDerWaalsContact CE-CD1 3.4Å; K139-Y142 HydrophobicContact CG-CD1 4.05Å; K139-Y142 HydrophobicContact CG-CE1 3.46Å; K139-Y142 VanDerWaalsContact CG-CE1 3.46Å; K139-Y142 HydrophobicContact CG-CE2 4.08Å; K139-Y142 VanDerWaalsContact CG-CZ 3.4Å; K139-Y142 WeakPolarHBondContact CG-OH 3.2Å
143	V	98.1	Very high	95.9	Very high	82 Å²	82	48.6 Å²	48.6	50%	0.497	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	109.4	176	176.4	0	0	0	0	108.4	L91 K145	L91-V143 HydrophobicContact CD1-CG1 3.79Å; L91-V143 HydrophobicContact CD2-CG1 3.92Å; L91-V143 HydrophobicContact CD2-CG2 4.46Å; V143-K145 HydrophobicContact CG1-CG 4.07Å
144	I	97.1	Very high	96	Very high	5 Å²	5	45.7 Å²	45.7	3%	0.026	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	99.4	174.2	-52.5	177.1	0	0	0	106.4	L52 P54 G125 L126 V128 G146 V148	L52-I144 HydrophobicContact CD2-CD1 4.37Å; P54-I144 HydrophobicContact CB-CG2 3.8Å; P54-I144 HydrophobicContact CG-CG2 4.29Å; G125-I144 CarbonylContact C-O 3.54Å; G125-I144 WeakPolarHBondContact CA-O 3.42Å; L126-I144 HydrophobicContact CB-CB 4.3Å; L126-I144 HydrophobicContact CB-CD1 4.42Å; L126-I144 PolarHBondContact N-O 2.98Å; L126-I144 PolarHBondContact O-N 3.32Å; V128-I144 HydrophobicContact CG2-CD1 3.82Å; V128-I144 HydrophobicContact CG2-CG1 4.43Å; I144-G146 PolarHBondContact O-N 3.46Å; I144-V148 HydrophobicContact CG2-CG2 3.82Å
145	K	95.4	Very high	96.1	Very high	165 Å²	165	39.8 Å²	39.8	72%	0.717	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-71.3	129.2	179.3	-67.1	-172	177.7	-177.3	0	109.8	P54 V143	P54-K145 WeakPolarHBondContact CB-O 3.48Å; V143-K145 HydrophobicContact CG1-CG 4.07Å
146	G	84.4	Confident	96.1	Very high	28 Å²	28	38.7 Å²	38.7	29%	0.289	22%	0.215	S	C	.	.	S	Bend	trans	-87	177.8	-171	0	0	0	0	0	114.7	E124 I144	E124-G146 PolarHBondContact O-N 2.91Å; I144-G146 PolarHBondContact O-N 3.46Å
147	P	94.9	Very high	96	Very high	36 Å²	36	37.8 Å²	37.8	23%	0.234	20%	0.203	C	C	.	.			cis	-75.7	146.1	14.3	30.4	-36.6	0	0	0	114.9	A122 V123 Y149 R506	A122-P147 CarbonylContact O-C 3.45Å; A122-P147 WeakPolarHBondContact O-CA 3.27Å; V123-P147 WeakPolarHBondContact O-CA 3.48Å; P147-Y149 HydrophobicContact CB-CE1 4Å; P147-Y149 HydrophobicContact CB-CE2 4.24Å; P147-Y149 HydrophobicContact CG-CE1 4.41Å; P147-Y149 HydrophobicContact CG-CE2 3.97Å; P147-Y149 VanDerWaalsContact CG-OH 3.28Å; P147-Y149 WeakPolarHBondContact CG-OH 3.49Å; P147-R506 HydrophobicContact CG-CB 4.3Å
148	V	96.6	Very high	95.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-117.5	102.8	174.5	-173.5	0	0	0	0	109.1	P54 R61 L118 S121 A122 L126 I144	P54-V148 HydrophobicContact CB-CG2 4.03Å; R61-V148 VanDerWaalsContact CZ-CG1 3.44Å; L118-V148 HydrophobicContact CD1-CG1 3.78Å; S121-V148 WeakPolarHBondContact CA-O 3.3Å; A122-V148 HydrophobicContact CB-CB 4.29Å; A122-V148 PolarHBondContact N-O 2.66Å; A122-V148 PolarHBondContact O-N 3.31Å; L126-V148 HydrophobicContact CD1-CB 4.33Å; L126-V148 HydrophobicContact CD1-CG1 3.86Å; L126-V148 HydrophobicContact CD1-CG2 4.43Å; L126-V148 HydrophobicContact CG-CB 4.38Å; L126-V148 HydrophobicContact CG-CG1 4.44Å; L126-V148 HydrophobicContact CG-CG2 4.22Å; I144-V148 HydrophobicContact CG2-CG2 3.82Å
149	Y	96.8	Very high	95.8	Very high	4 Å²	4	43 Å²	43	2%	0.016	23%	0.232	C	C	.	.			trans	-78.8	142.9	-175.2	-59.1	-63.3	0	0	0	113	V57 R61 P147 C153 C155 R506 R507	V57-Y149 HydrophobicContact CG2-CD2 4.37Å; R61-Y149 PolarHBondContact NH2-O 3.36Å; P147-Y149 HydrophobicContact CB-CE1 4Å; P147-Y149 HydrophobicContact CB-CE2 4.24Å; P147-Y149 HydrophobicContact CG-CE1 4.41Å; P147-Y149 HydrophobicContact CG-CE2 3.97Å; P147-Y149 VanDerWaalsContact CG-OH 3.28Å; P147-Y149 WeakPolarHBondContact CG-OH 3.49Å; Y149-C153 HydrophobicContact CD1-CB 4.3Å; Y149-C153 WeakPolarHBondContact CD1-SG 3.41Å; Y149-C155 HydrophobicContact CD1-CB 4.45Å; Y149-C155 HydrophobicContact CE1-CB 4.31Å; Y149-C155 HydrophobicContact CE2-CB 4.36Å; Y149-C155 VanDerWaalsContact CZ-SG 3.52Å; Y149-R506 WeakPolarHBondContact OH-CA 3.34Å; Y149-R506 WeakPolarHBondContact OH-CB 3.47Å; Y149-R506 PolarHBondContact OH-N 3.38Å; Y149-R507 HydrophobicContact CE2-CG 4.24Å
150	H	95.8	Very high	95.7	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.009	21%	0.21	C	C	.	.			trans	-88.2	167	169	77.4	-77.9	0	0	0	111.5	L118 S121 Y152 C153 T500	L118-H150 HydrophobicContact CB-CB 3.67Å; S121-H150 PolarHBondContact N-ND1 3.05Å; S121-H150 PolarHBondContact OG-N 3.07Å; S121-H150 PolarHBondContact OG-ND1 3.03Å; H150-Y152 VanDerWaalsContact C-N 3.32Å; H150-Y152 PolarHBondContact CD2-N 2.93Å; H150-Y152 PolarHBondContact O-N 2.76Å; H150-C153 WeakPolarHBondContact O-CB 3.27Å; H150-C153 PolarHBondContact O-N 3.12Å; H150-C153 VanDerWaalsContact O-N 3.14Å; H150-T500 PolarHBondContact NE2-O 2.77Å; H150-T500 VanDerWaalsContact NE2-O 3.1Å
151	E	95.1	Very high	95.7	Very high	8 Å²	8	40 Å²	40	4%	0.037	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-38.2	-171	175.7	45.1	-142.6	0	0	116.1	P59 S236 R239 K240	P59-E151 WeakPolarHBondContact CA-OE2 3.38Å; P59-E151 HydrophobicContact CB-CG 4.17Å; P59-E151 VanDerWaalsContact CD-OE2 3.29Å; P59-E151 WeakPolarHBondContact CD-OE2 3.37Å; P59-E151 HydrophobicContact CG-CG 4.36Å; P59-E151 VanDerWaalsContact CG-OE2 3.29Å; P59-E151 WeakPolarHBondContact CG-OE2 3.39Å; E151-S236 WeakPolarHBondContact OE1-CB 3.12Å; E151-S236 PolarHBondContact OE1-OG 3.19Å; E151-R239 PolarHBondContact O-NE 3.33Å; E151-R239 IonicContact OE1-CZ 3.84Å; E151-R239 IonicContact OE1-NH2 3.37Å; E151-R239 PolarHBondContact OE1-NH2 2.92Å; E151-K240 IonicContact OE1-NZ 2.82Å; E151-K240 PolarHBondContact OE1-NZ 2.93Å; E151-K240 WeakPolarHBondContact OE2-CE 3.43Å; E151-K240 IonicContact OE2-NZ 2.94Å; E151-K240 PolarHBondContact OE2-NZ 3.19Å
152	Y	95.5	Very high	95.6	Very high	39 Å²	39	39.9 Å²	39.9	15%	0.153	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-0.6	-173.8	-57.2	-63.2	0	0	0	113	R117 H150 D154 R295 P496	R117-Y152 PolarHBondContact NH2-OH 2.92Å; H150-Y152 VanDerWaalsContact C-N 3.32Å; H150-Y152 PolarHBondContact CD2-N 2.93Å; H150-Y152 PolarHBondContact O-N 2.76Å; Y152-D154 PolarHBondContact O-N 2.94Å; Y152-R295 PolarHBondContact OH-NH1 2.75Å; Y152-R295 VanDerWaalsContact OH-NH1 3.08Å; Y152-P496 HydrophobicContact CD1-CG 4.43Å
153	C	95.6	Very high	95.6	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.02	23%	0.228	C	C	.	.			trans	-69.6	117.5	173.9	-175.7	0	0	0	0	110.4	Y149 H150 C155 C503	Y149-C153 HydrophobicContact CD1-CB 4.3Å; Y149-C153 WeakPolarHBondContact CD1-SG 3.41Å; H150-C153 WeakPolarHBondContact O-CB 3.27Å; H150-C153 PolarHBondContact O-N 3.12Å; H150-C153 VanDerWaalsContact O-N 3.14Å; C153-C155 PolarHBondContact O-N 2.99Å; C153-C155 VanDerWaalsContact O-N 3.11Å; C153-C503 WeakPolarHBondContact CA-SG 3.44Å; C153-C503 HydrophobicContact CB-CB 3.69Å; C153-C503 WeakPolarHBondContact CB-SG 3.44Å; C153-C503 WeakPolarHBondContact SG-CB 3.5Å; C153-C503 CovalentContact SG-SG 2.03Å; C153-C503 PolarHBondContact SG-SG 2.83Å
154	D	95.3	Very high	95.5	Very high	83 Å²	83	36.4 Å²	36.4	44%	0.444	21%	0.209	S	C	.	.			trans	-79.1	90.1	172	-169.7	11.7	0	0	0	109.9	Y152 P156 R239	Y152-D154 PolarHBondContact O-N 2.94Å; D154-P156 WeakPolarHBondContact OD1-CD 3.27Å; D154-R239 HydrophobicContact CB-CG 4.2Å
155	C	95.8	Very high	95.5	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.014	24%	0.238	C	C	.	.			trans	-146.7	67.5	178.6	-166.7	0	0	0	0	110.4	Y149 C153 R239 C505 R507	Y149-C155 HydrophobicContact CD1-CB 4.45Å; Y149-C155 HydrophobicContact CE1-CB 4.31Å; Y149-C155 HydrophobicContact CE2-CB 4.36Å; Y149-C155 VanDerWaalsContact CZ-SG 3.52Å; C153-C155 PolarHBondContact O-N 2.99Å; C153-C155 VanDerWaalsContact O-N 3.11Å; C155-R239 CarbonylContact C-O 3.47Å; C155-R239 PolarHBondContact N-O 3.42Å; C155-C505 WeakPolarHBondContact CA-SG 3.32Å; C155-C505 HydrophobicContact CB-CB 3.56Å; C155-C505 WeakPolarHBondContact CB-SG 3.26Å; C155-C505 WeakPolarHBondContact SG-CA 3.16Å; C155-C505 WeakPolarHBondContact SG-CB 3.37Å; C155-C505 CovalentContact SG-SG 2.04Å; C155-C505 PolarHBondContact SG-SG 3.43Å; C155-R507 WeakPolarHBondContact O-CD 3.37Å; C155-R507 PolarHBondContact O-NH1 2.86Å
156	P	96.9	Very high	95.6	Very high	20 Å²	20	34 Å²	34	13%	0.13	21%	0.212	C	C	.	.			trans	-66	141.6	-174.7	24.6	-33.1	0	0	0	111.6	D154 S158 T238 R239 R242	D154-P156 WeakPolarHBondContact OD1-CD 3.27Å; P156-S158 PolarHBondContact O-N 3.45Å; P156-T238 WeakPolarHBondContact CB-O 3.33Å; P156-R239 VanDerWaalsContact CA-O 3.31Å; P156-R239 WeakPolarHBondContact CA-O 3.36Å; P156-R239 VanDerWaalsContact N-O 3.1Å; P156-R242 HydrophobicContact CB-CG 4.35Å; P156-R242 HydrophobicContact CG-CG 4.5Å
157	E	96.9	Very high	96.2	Very high	29 Å²	29	32.9 Å²	32.9	14%	0.136	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-65.7	129.8	164.8	179.5	49.1	-109.1	0	0	109.2	D159 V162 W163 K240 V241 R242 R507	E157-D159 VanDerWaalsContact CG-O 3.27Å; E157-D159 WeakPolarHBondContact CG-O 3.43Å; E157-D159 PolarHBondContact OE1-N 2.74Å; E157-V162 HydrophobicContact CG-CB 4.31Å; E157-V162 HydrophobicContact CG-CG1 4.46Å; E157-W163 HydrophobicContact CB-CB 3.97Å; E157-W163 HydrophobicContact CB-CG 4.5Å; E157-W163 HydrophobicContact CG-CB 3.92Å; E157-K240 PolarHBondContact N-O 3.35Å; E157-V241 WeakPolarHBondContact O-CA 3.35Å; E157-R242 PolarHBondContact O-N 2.98Å; E157-R507 VanDerWaalsContact N-NH1 3.18Å; E157-R507 IonicContact OE2-NE 2.84Å
158	S	95.1	Very high	96.2	Very high	65 Å²	65	38.8 Å²	38.8	46%	0.455	22%	0.224	S	C	.	.	S	Bend	trans	-77.2	-33.3	-178.5	64.2	0	0	0	0	112.6	P156	P156-S158 PolarHBondContact O-N 3.45Å
159	D	95.4	Very high	96.3	Very high	74 Å²	74	39.7 Å²	39.7	40%	0.396	23%	0.23	S	C	.	.			trans	-98.5	103.2	175.6	-172.8	-15.6	0	0	0	110.6	E157 S161 V162 W163	E157-D159 VanDerWaalsContact CG-O 3.27Å; E157-D159 WeakPolarHBondContact CG-O 3.43Å; E157-D159 PolarHBondContact OE1-N 2.74Å; D159-S161 PolarHBondContact O-N 3.38Å; D159-S161 VanDerWaalsContact O-N 3.09Å; D159-S161 WeakPolarHBondContact OD1-CA 3.15Å; D159-S161 WeakPolarHBondContact OD1-CB 3.49Å; D159-S161 PolarHBondContact OD1-N 3.24Å; D159-S161 PolarHBondContact OD1-OG 3.24Å; D159-S161 VanDerWaalsContact OD1-OG 3.13Å; D159-V162 HydrophobicContact CB-CB 4.23Å; D159-V162 HydrophobicContact CB-CG2 3.88Å; D159-V162 WeakPolarHBondContact O-CB 3.39Å; D159-V162 PolarHBondContact O-N 2.85Å; D159-W163 PolarHBondContact O-N 2.9Å
160	A	95.6	Very high	96.2	Very high	26 Å²	26	40.6 Å²	40.6	22%	0.215	24%	0.236	C	C	.	.	H	α-helix	trans	-56.8	-26.7	178.2	0	0	0	0	0	113.2	Q164 V241	A160-Q164 VanDerWaalsContact O-CB 3.3Å; A160-Q164 WeakPolarHBondContact O-CB 3.24Å; A160-Q164 WeakPolarHBondContact O-CG 3.41Å; A160-Q164 PolarHBondContact O-N 3.24Å; A160-V241 HydrophobicContact CB-CG2 3.98Å
161	S	96.3	Very high	95.9	Very high	80 Å²	80	44.3 Å²	44.3	56%	0.559	27%	0.267	S	S	*	.	H	α-helix	trans	-70	-40.1	178.1	-44.7	0	0	0	0	111.4	D159 Q164 S165	D159-S161 PolarHBondContact O-N 3.38Å; D159-S161 VanDerWaalsContact O-N 3.09Å; D159-S161 WeakPolarHBondContact OD1-CA 3.15Å; D159-S161 WeakPolarHBondContact OD1-CB 3.49Å; D159-S161 PolarHBondContact OD1-N 3.24Å; D159-S161 PolarHBondContact OD1-OG 3.24Å; D159-S161 VanDerWaalsContact OD1-OG 3.13Å; S161-Q164 PolarHBondContact O-N 2.83Å; S161-S165 WeakPolarHBondContact O-CB 3.43Å; S161-S165 PolarHBondContact O-N 3.4Å
162	V	96.8	Very high	95.7	Very high	69 Å²	69	49.5 Å²	49.5	42%	0.418	30%	0.295	S	S	.	.	H	α-helix	trans	-62.8	-49	174	174.9	0	0	0	0	109.7	E157 D159 Q164 S165 V166	E157-V162 HydrophobicContact CG-CB 4.31Å; E157-V162 HydrophobicContact CG-CG1 4.46Å; D159-V162 HydrophobicContact CB-CB 4.23Å; D159-V162 HydrophobicContact CB-CG2 3.88Å; D159-V162 WeakPolarHBondContact O-CB 3.39Å; D159-V162 PolarHBondContact O-N 2.85Å; V162-Q164 VanDerWaalsContact C-N 3.35Å; V162-Q164 PolarHBondContact O-N 3.46Å; V162-S165 WeakPolarHBondContact O-CB 3.45Å; V162-S165 PolarHBondContact O-N 2.86Å; V162-S165 VanDerWaalsContact O-N 3.16Å; V162-V166 WeakPolarHBondContact O-CG2 3.37Å; V162-V166 PolarHBondContact O-N 3.47Å
163	W	97.6	Very high	95.7	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.015	29%	0.29	C	S	.	.	H	α-helix	trans	-59.6	-43.7	177.6	-179.4	86	0	0	0	112.6	E157 D159 S165 V166 L167 L237 V241 Y466 H470	E157-W163 HydrophobicContact CB-CB 3.97Å; E157-W163 HydrophobicContact CB-CG 4.5Å; E157-W163 HydrophobicContact CG-CB 3.92Å; D159-W163 PolarHBondContact O-N 2.9Å; W163-S165 VanDerWaalsContact C-N 3.33Å; W163-S165 PolarHBondContact O-N 2.86Å; W163-V166 PolarHBondContact O-N 3.09Å; W163-L167 HydrophobicContact CD2-CD1 4.12Å; W163-L167 VanDerWaalsContact CE2-CD1 3.41Å; W163-L167 HydrophobicContact CH2-CD1 3.74Å; W163-L167 HydrophobicContact CZ2-CD1 3.22Å; W163-L167 HydrophobicContact CZ2-CG 4.42Å; W163-L167 HydrophobicContact CZ3-CD1 4.35Å; W163-L167 PolarHBondContact O-N 3.3Å; W163-L237 HydrophobicContact CH2-CD1 3.82Å; W163-L237 HydrophobicContact CZ2-CD1 3.93Å; W163-V241 HydrophobicContact CB-CB 4.22Å; W163-V241 HydrophobicContact CB-CG2 3.84Å; W163-V241 HydrophobicContact CD2-CB 3.7Å; W163-V241 HydrophobicContact CD2-CG1 3.92Å; W163-V241 HydrophobicContact CD2-CG2 3.96Å; W163-V241 HydrophobicContact CE3-CB 4.24Å; W163-V241 HydrophobicContact CE3-CG1 4.14Å; W163-V241 HydrophobicContact CE3-CG2 4.18Å; W163-V241 HydrophobicContact CG-CB 3.68Å; W163-V241 HydrophobicContact CG-CG1 4.43Å; W163-V241 HydrophobicContact CG-CG2 3.82Å; W163-V241 HydrophobicContact CH2-CG1 4.22Å; W163-V241 HydrophobicContact CZ2-CG1 4Å; W163-V241 HydrophobicContact CZ3-CG1 4.3Å; W163-Y466 HydrophobicContact CZ2-CD1 4.45Å; W163-H470 HydrophobicContact CH2-CB 3.94Å; W163-H470 HydrophobicContact CZ3-CB 3.68Å; W163-H470 AromaticContact CZ3-CD2 4Å; W163-H470 AromaticContact CZ3-CG 3.69Å
164	Q	97.4	Very high	95.7	Very high	23 Å²	23	51.5 Å²	51.5	11%	0.107	31%	0.312	C	S	.	.	H	α-helix	trans	-61.5	-41	175.8	-77.6	170.8	18.3	0	0	112	A160 S161 V162 Q168 C169 H470 R471	A160-Q164 VanDerWaalsContact O-CB 3.3Å; A160-Q164 WeakPolarHBondContact O-CB 3.24Å; A160-Q164 WeakPolarHBondContact O-CG 3.41Å; A160-Q164 PolarHBondContact O-N 3.24Å; S161-Q164 PolarHBondContact O-N 2.83Å; V162-Q164 VanDerWaalsContact C-N 3.35Å; V162-Q164 PolarHBondContact O-N 3.46Å; Q164-Q168 PolarHBondContact O-N 3.41Å; Q164-C169 HydrophobicContact CB-CB 4.01Å; Q164-C169 HydrophobicContact CG-CB 4.13Å; Q164-C169 PolarHBondContact O-N 3.4Å; Q164-H470 PolarHBondContact NE2-CE1 3.12Å; Q164-H470 PolarHBondContact NE2-ND1 3.14Å; Q164-H470 VanDerWaalsContact NE2-ND1 3.19Å; Q164-R471 VanDerWaalsContact OE1-CZ 3.32Å
165	S	97.1	Very high	95.8	Very high	91 Å²	91	48.7 Å²	48.7	64%	0.636	30%	0.296	S	S	*	.	H	α-helix	trans	-64.5	-45	177.7	-174.8	0	0	0	0	111.6	S161 V162 W163 Q168	S161-S165 WeakPolarHBondContact O-CB 3.43Å; S161-S165 PolarHBondContact O-N 3.4Å; V162-S165 WeakPolarHBondContact O-CB 3.45Å; V162-S165 PolarHBondContact O-N 2.86Å; V162-S165 VanDerWaalsContact O-N 3.16Å; W163-S165 VanDerWaalsContact C-N 3.33Å; W163-S165 PolarHBondContact O-N 2.86Å; S165-Q168 PolarHBondContact O-N 2.78Å; S165-Q168 VanDerWaalsContact O-N 3.08Å
166	V	96.5	Very high	95.9	Very high	27 Å²	27	49 Å²	49	16%	0.164	30%	0.298	C	S	.	.	H	α-helix	trans	-61.2	-45.4	178.8	168.7	0	0	0	0	111.4	D55 A56 V162 W163 Q168	D55-V166 HydrophobicContact CB-CG1 3.8Å; D55-V166 HydrophobicContact CB-CG2 3.98Å; A56-V166 HydrophobicContact CB-CG1 4.01Å; V162-V166 WeakPolarHBondContact O-CG2 3.37Å; V162-V166 PolarHBondContact O-N 3.47Å; W163-V166 PolarHBondContact O-N 3.09Å; V166-Q168 PolarHBondContact O-N 3.33Å
167	L	96.6	Very high	95.9	Very high	5 Å²	5	52.9 Å²	52.9	3%	0.026	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-0.6	176.8	-66.5	-168.8	0	0	0	114	A56 L58 W163 C169	A56-L167 HydrophobicContact CB-CD2 4.09Å; L58-L167 HydrophobicContact CD2-CD2 4.46Å; W163-L167 HydrophobicContact CD2-CD1 4.12Å; W163-L167 VanDerWaalsContact CE2-CD1 3.41Å; W163-L167 HydrophobicContact CH2-CD1 3.74Å; W163-L167 HydrophobicContact CZ2-CD1 3.22Å; W163-L167 HydrophobicContact CZ2-CG 4.42Å; W163-L167 HydrophobicContact CZ3-CD1 4.35Å; W163-L167 PolarHBondContact O-N 3.3Å; L167-C169 VanDerWaalsContact C-N 3.25Å; L167-C169 PolarHBondContact O-N 2.92Å
168	Q	96.3	Very high	95.9	Very high	160 Å²	160	53.8 Å²	53.8	75%	0.748	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	43.7	-177.4	-56.1	176.2	7.5	0	0	111.8	Q164 S165 V166	Q164-Q168 PolarHBondContact O-N 3.41Å; S165-Q168 PolarHBondContact O-N 2.78Å; S165-Q168 VanDerWaalsContact O-N 3.08Å; V166-Q168 PolarHBondContact O-N 3.33Å
169	C	97.3	Very high	96.1	Very high	19 Å²	19	51.2 Å²	51.2	13%	0.128	31%	0.311	C	S	.	.			trans	-61.2	134.4	178.4	-64	0	0	0	0	110.4	Q164 L167 C467	Q164-C169 HydrophobicContact CB-CB 4.01Å; Q164-C169 HydrophobicContact CG-CB 4.13Å; Q164-C169 PolarHBondContact O-N 3.4Å; L167-C169 VanDerWaalsContact C-N 3.25Å; L167-C169 PolarHBondContact O-N 2.92Å; C169-C467 WeakPolarHBondContact CA-SG 3.11Å; C169-C467 HydrophobicContact CB-CB 3.59Å; C169-C467 WeakPolarHBondContact CB-SG 3.45Å; C169-C467 VanDerWaalsContact SG-CA 3.55Å; C169-C467 WeakPolarHBondContact SG-CB 3.26Å; C169-C467 CovalentContact SG-SG 2.03Å; C169-C467 PolarHBondContact SG-SG 3.29Å
170	P	94.9	Very high	96.2	Very high	23 Å²	23	47.9 Å²	47.9	15%	0.149	29%	0.293	C	S	.	.			trans	-61	145.2	174.9	31.1	-39.2	0	0	0	110.3	N172 E173 R464 R471	P170-N172 VanDerWaalsContact C-N 3.31Å; P170-E173 VanDerWaalsContact CG-CD 3.47Å; P170-E173 HydrophobicContact CG-CG 3.84Å; P170-E173 WeakPolarHBondContact CG-OE1 3.33Å; P170-R464 VanDerWaalsContact CG-CZ 3.48Å; P170-R471 PolarHBondContact O-NE 2.81Å; P170-R471 PolarHBondContact O-NH2 2.78Å
171	A	90.2	Very high	96.2	Very high	80 Å²	80	54.2 Å²	54.2	66%	0.661	32%	0.318	S	S	*	.	S	Bend	trans	-68.2	-35.7	172.6	0	0	0	0	0	111.4
172	N	90.1	Very high	96.1	Very high	118 Å²	118	52.2 Å²	52.2	63%	0.631	30%	0.304	S	S	*	.			trans	-124.4	133.9	-177	-64.1	-44.6	0	0	0	111	P170	P170-N172 VanDerWaalsContact C-N 3.31Å
173	E	95.6	Very high	96.1	Very high	9 Å²	9	49.2 Å²	49.2	4%	0.042	29%	0.285	C	S	.	.			trans	-122.9	99.8	171.6	-70.9	-74.2	-153.1	0	0	108.7	P170 Q175 I176 L177 H414 R464 Y468	P170-E173 VanDerWaalsContact CG-CD 3.47Å; P170-E173 HydrophobicContact CG-CG 3.84Å; P170-E173 WeakPolarHBondContact CG-OE1 3.33Å; E173-Q175 PolarHBondContact O-N 3.47Å; E173-I176 HydrophobicContact CB-CB 3.98Å; E173-I176 HydrophobicContact CB-CD1 3.64Å; E173-I176 HydrophobicContact CB-CG1 3.75Å; E173-I176 HydrophobicContact CG-CD1 3.92Å; E173-I176 PolarHBondContact O-N 2.94Å; E173-I176 VanDerWaalsContact O-N 3.08Å; E173-L177 PolarHBondContact O-N 3.37Å; E173-H414 IonicContact OE2-NE2 3.17Å; E173-R464 IonicContact OE1-CZ 2.76Å; E173-R464 IonicContact OE1-NE 3.05Å; E173-R464 IonicContact OE1-NH2 3.12Å; E173-R464 PolarHBondContact OE1-NH2 2.48Å; E173-R464 IonicContact OE2-NH2 3.24Å; E173-R464 PolarHBondContact OE2-NH2 2.97Å; E173-Y468 HydrophobicContact CG-CD2 4.44Å
174	P	96.1	Very high	96	Very high	74 Å²	74	54.3 Å²	54.3	48%	0.481	32%	0.319	S	S	.	.	H	α-helix	trans	-54.9	-36.4	-174.3	-27.8	35.1	0	0	0	114.1	L177 A178	P174-L177 PolarHBondContact O-N 2.94Å; P174-A178 WeakPolarHBondContact O-CB 3.4Å; P174-A178 PolarHBondContact O-N 2.87Å
175	Q	97.6	Very high	96	Very high	24 Å²	24	56.6 Å²	56.6	11%	0.112	34%	0.342	C	S	.	.	H	α-helix	trans	-64.5	-46.1	177.3	-172.5	64.2	59.9	0	0	111.7	E173 L177 A178 D179 Y408 H410 Y468	E173-Q175 PolarHBondContact O-N 3.47Å; Q175-L177 VanDerWaalsContact C-N 3.32Å; Q175-L177 PolarHBondContact O-N 3.05Å; Q175-A178 PolarHBondContact O-N 2.93Å; Q175-D179 PolarHBondContact NE2-OD1 2.93Å; Q175-D179 VanDerWaalsContact O-CG 3.27Å; Q175-D179 PolarHBondContact O-N 2.76Å; Q175-Y408 VanDerWaalsContact NE2-CE2 3.26Å; Q175-H410 WeakPolarHBondContact CB-O 3.31Å; Q175-Y468 HydrophobicContact CB-CE2 4.47Å; Q175-Y468 WeakPolarHBondContact CG-OH 3.38Å
176	I	98.1	Very high	96.1	Very high	9 Å²	9	52.5 Å²	52.5	5%	0.046	31%	0.313	C	S	.	.	H	α-helix	trans	-60	-45.9	177.1	-60.6	-178	0	0	0	109.8	E173 A178 D179 F180 Y468 R471 V472 A475	E173-I176 HydrophobicContact CB-CB 3.98Å; E173-I176 HydrophobicContact CB-CD1 3.64Å; E173-I176 HydrophobicContact CB-CG1 3.75Å; E173-I176 HydrophobicContact CG-CD1 3.92Å; E173-I176 PolarHBondContact O-N 2.94Å; E173-I176 VanDerWaalsContact O-N 3.08Å; I176-A178 VanDerWaalsContact C-N 3.32Å; I176-A178 PolarHBondContact O-N 2.84Å; I176-D179 PolarHBondContact O-N 2.84Å; I176-F180 HydrophobicContact CG2-CD2 3.67Å; I176-F180 HydrophobicContact CG2-CE2 3.86Å; I176-F180 VanDerWaalsContact O-CD2 3.32Å; I176-F180 WeakPolarHBondContact O-CD2 3.44Å; I176-F180 PolarHBondContact O-N 2.81Å; I176-Y468 HydrophobicContact CD1-CD1 4.31Å; I176-Y468 HydrophobicContact CD1-CD2 3.98Å; I176-Y468 HydrophobicContact CD1-CE1 4.23Å; I176-Y468 HydrophobicContact CD1-CE2 3.9Å; I176-Y468 HydrophobicContact CD1-CG 4.2Å; I176-Y468 HydrophobicContact CG1-CD2 4.22Å; I176-Y468 HydrophobicContact CG1-CE1 4.09Å; I176-Y468 HydrophobicContact CG1-CE2 3.61Å; I176-R471 HydrophobicContact CD1-CB 3.53Å; I176-V472 HydrophobicContact CD1-CG2 3.61Å; I176-V472 HydrophobicContact CG1-CG2 3.8Å; I176-V472 HydrophobicContact CG2-CG2 4.45Å; I176-A475 HydrophobicContact CG2-CB 4.26Å
177	L	97.1	Very high	96.2	Very high	101 Å²	101	55.2 Å²	55.2	53%	0.529	33%	0.326	S	S	.	.	H	α-helix	trans	-60.6	-41.3	178.7	-65.8	174.8	0	0	0	112.3	E173 P174 Q175 Q181	E173-L177 PolarHBondContact O-N 3.37Å; P174-L177 PolarHBondContact O-N 2.94Å; Q175-L177 VanDerWaalsContact C-N 3.32Å; Q175-L177 PolarHBondContact O-N 3.05Å; L177-Q181 PolarHBondContact O-N 3.33Å
178	A	97.4	Very high	96.2	Very high	49 Å²	49	55 Å²	55	41%	0.405	33%	0.325	S	S	.	.	H	α-helix	trans	-66	-46	177.6	0	0	0	0	0	111.9	P174 Q175 I176 F180 Q181	P174-A178 WeakPolarHBondContact O-CB 3.4Å; P174-A178 PolarHBondContact O-N 2.87Å; Q175-A178 PolarHBondContact O-N 2.93Å; I176-A178 VanDerWaalsContact C-N 3.32Å; I176-A178 PolarHBondContact O-N 2.84Å; A178-F180 PolarHBondContact O-N 2.86Å; A178-Q181 WeakPolarHBondContact O-CB 3.12Å; A178-Q181 PolarHBondContact O-N 2.99Å
179	D	97.8	Very high	96.3	Very high	10 Å²	10	53.4 Å²	53.4	5%	0.053	32%	0.318	C	S	.	.	H	α-helix	trans	-63.3	-41.8	-178.8	-69.7	-6.3	0	0	0	111.6	Q175 I176 Q181 F183 I279 V280	Q175-D179 PolarHBondContact NE2-OD1 2.93Å; Q175-D179 VanDerWaalsContact O-CG 3.27Å; Q175-D179 PolarHBondContact O-N 2.76Å; I176-D179 PolarHBondContact O-N 2.84Å; D179-Q181 VanDerWaalsContact C-N 3.29Å; D179-Q181 PolarHBondContact O-N 3.01Å; D179-F183 WeakPolarHBondContact O-CD2 3.41Å; D179-I279 HydrophobicContact CB-CB 4.18Å; D179-I279 HydrophobicContact CB-CG1 4.01Å; D179-I279 HydrophobicContact CB-CG2 4.08Å; D179-V280 PolarHBondContact OD2-N 3.33Å
180	F	97.7	Very high	96.3	Very high	5 Å²	5	56.1 Å²	56.1	2%	0.022	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-78.6	-5.1	178	-79.7	-78	0	0	0	114.6	I176 A178 S182 F183 I186 I279 V472 A475 Y476	I176-F180 HydrophobicContact CG2-CD2 3.67Å; I176-F180 HydrophobicContact CG2-CE2 3.86Å; I176-F180 VanDerWaalsContact O-CD2 3.32Å; I176-F180 WeakPolarHBondContact O-CD2 3.44Å; I176-F180 PolarHBondContact O-N 2.81Å; A178-F180 PolarHBondContact O-N 2.86Å; F180-S182 PolarHBondContact O-N 2.91Å; F180-F183 CarbonylContact O-C 3.52Å; F180-F183 PolarHBondContact O-N 3.29Å; F180-I186 HydrophobicContact CE1-CD1 4.36Å; F180-I279 HydrophobicContact CD1-CD1 4Å; F180-I279 HydrophobicContact CD2-CG2 4.45Å; F180-I279 HydrophobicContact CE1-CD1 3.57Å; F180-I279 HydrophobicContact CE2-CD1 4.3Å; F180-I279 HydrophobicContact CE2-CG2 3.87Å; F180-I279 HydrophobicContact CZ-CD1 3.75Å; F180-I279 HydrophobicContact CZ-CG2 4.19Å; F180-V472 HydrophobicContact CE2-CG1 4.31Å; F180-V472 HydrophobicContact CZ-CG1 4.4Å; F180-A475 HydrophobicContact CD2-CB 3.93Å; F180-A475 HydrophobicContact CE1-CB 4.49Å; F180-A475 HydrophobicContact CE2-CB 3.65Å; F180-A475 HydrophobicContact CG-CB 4.46Å; F180-A475 HydrophobicContact CZ-CB 3.95Å; F180-Y476 AromaticContact CE1-CD2 3.8Å; F180-Y476 HydrophobicContact CE1-CD2 3.8Å; F180-Y476 HydrophobicContact CE1-CG 4.2Å; F180-Y476 AromaticContact CZ-CD2 3.81Å; F180-Y476 HydrophobicContact CZ-CD2 3.81Å; F180-Y476 HydrophobicContact CZ-CG 4.26Å
181	Q	95.8	Very high	96.4	Very high	158 Å²	158	55.1 Å²	55.1	74%	0.738	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-57.8	-33.6	178.6	-171.7	-178.1	22.5	0	0	112	L177 A178 D179 F183	L177-Q181 PolarHBondContact O-N 3.33Å; A178-Q181 WeakPolarHBondContact O-CB 3.12Å; A178-Q181 PolarHBondContact O-N 2.99Å; D179-Q181 VanDerWaalsContact C-N 3.29Å; D179-Q181 PolarHBondContact O-N 3.01Å; Q181-F183 VanDerWaalsContact C-N 3.27Å; Q181-F183 PolarHBondContact O-N 3.19Å
182	S	94.8	Very high	96.8	Very high	39 Å²	39	54.1 Å²	54.1	27%	0.273	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-80.8	-7	-179.7	-50.3	0	0	0	0	113.2	F180 R277	F180-S182 PolarHBondContact O-N 2.91Å; S182-R277 PolarHBondContact OG-NH1 3.5Å
183	F	97.1	Very high	97.1	Very high	6 Å²	6	53.9 Å²	53.9	3%	0.026	30%	0.296	C	S	.	.			trans	-131.7	65.8	-170.4	-49	-66.7	0	0	0	111.3	D179 F180 Q181 A185 I186 A264 P266 R277 I279 R479	D179-F183 WeakPolarHBondContact O-CD2 3.41Å; F180-F183 CarbonylContact O-C 3.52Å; F180-F183 PolarHBondContact O-N 3.29Å; Q181-F183 VanDerWaalsContact C-N 3.27Å; Q181-F183 PolarHBondContact O-N 3.19Å; F183-A185 PolarHBondContact O-N 3.01Å; F183-I186 HydrophobicContact CB-CG1 4.39Å; F183-A264 HydrophobicContact CE1-CB 3.87Å; F183-A264 HydrophobicContact CZ-CB 4.27Å; F183-P266 HydrophobicContact CB-CB 4.39Å; F183-P266 HydrophobicContact CD1-CB 3.89Å; F183-P266 HydrophobicContact CD1-CG 4.22Å; F183-P266 HydrophobicContact CD2-CB 3.91Å; F183-P266 HydrophobicContact CE1-CB 4.09Å; F183-P266 HydrophobicContact CE2-CB 4.11Å; F183-P266 HydrophobicContact CG-CB 3.79Å; F183-P266 HydrophobicContact CG-CG 4.44Å; F183-P266 HydrophobicContact CZ-CB 4.19Å; F183-R277 HydrophobicContact CE2-CB 4.46Å; F183-R277 WeakPolarHBondContact CE2-O 3.35Å; F183-R277 HydrophobicContact CZ-CB 3.94Å; F183-R277 WeakPolarHBondContact CZ-O 3.45Å; F183-I279 HydrophobicContact CD2-CD1 4.05Å; F183-I279 HydrophobicContact CD2-CG1 4.24Å; F183-I279 HydrophobicContact CE2-CD1 4.24Å; F183-I279 HydrophobicContact CE2-CG1 4.11Å; F183-R479 WeakPolarHBondContact O-CD 3.07Å
184	P	95.7	Very high	97.2	Very high	111 Å²	111	55.6 Å²	55.6	72%	0.721	30%	0.304	S	S	*	.	S	Bend	trans	-65.4	-24.5	178	27.9	-35.2	0	0	0	112.9
185	A	96.9	Very high	97.3	Very high	71 Å²	71	52.1 Å²	52.1	59%	0.587	28%	0.281	S	S	*	.			trans	-144.3	149.7	172.8	0	0	0	0	0	109.8	F183 R479	F183-A185 PolarHBondContact O-N 3.01Å; A185-R479 CarbonylContact C-O 3.53Å; A185-R479 WeakPolarHBondContact CA-O 3.5Å
186	I	98.3	Very high	97.2	Very high	5 Å²	5	52.1 Å²	52.1	3%	0.026	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	100	-177.2	-54.9	177.3	0	0	0	107.8	F180 F183 L188 L191 P266 Y476 R479 Q480 A481	F180-I186 HydrophobicContact CE1-CD1 4.36Å; F183-I186 HydrophobicContact CB-CG1 4.39Å; I186-L188 PolarHBondContact O-N 2.92Å; I186-L191 HydrophobicContact CG2-CD2 4.18Å; I186-P266 HydrophobicContact CB-CG 4.47Å; I186-P266 HydrophobicContact CD1-CB 4.13Å; I186-P266 HydrophobicContact CD1-CG 3.84Å; I186-P266 HydrophobicContact CG1-CG 3.94Å; I186-P266 HydrophobicContact CG2-CG 3.79Å; I186-Y476 HydrophobicContact CD1-CD1 3.74Å; I186-Y476 HydrophobicContact CD1-CD2 4.14Å; I186-Y476 HydrophobicContact CD1-CE1 3.67Å; I186-Y476 HydrophobicContact CD1-CE2 4.09Å; I186-Y476 HydrophobicContact CD1-CG 3.98Å; I186-Y476 HydrophobicContact CG2-CE1 4.1Å; I186-R479 HydrophobicContact CD1-CB 4Å; I186-R479 HydrophobicContact CG1-CB 3.97Å; I186-R479 PolarHBondContact N-O 2.86Å; I186-Q480 CarbonylContact O-C 3.56Å; I186-Q480 WeakPolarHBondContact O-CA 3.32Å; I186-A481 PolarHBondContact O-N 2.88Å
187	D	98.3	Very high	97	Very high	83 Å²	83	57.6 Å²	57.6	44%	0.444	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	113.3	173.2	-178.2	-37.3	0	0	0	109.8	Q189 H190 L191	D187-Q189 VanDerWaalsContact C-N 3.34Å; D187-Q189 PolarHBondContact O-N 3.23Å; D187-Q189 WeakPolarHBondContact OD1-CA 3.23Å; D187-Q189 WeakPolarHBondContact OD1-CB 3.46Å; D187-Q189 PolarHBondContact OD1-N 2.82Å; D187-H190 HydrophobicContact CB-CB 3.88Å; D187-H190 PolarHBondContact O-N 2.77Å; D187-H190 PolarHBondContact OD1-N 2.86Å; D187-L191 WeakPolarHBondContact O-CB 3.49Å; D187-L191 PolarHBondContact O-N 2.66Å
188	L	98.3	Very high	97	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-65.7	-34.2	-178.2	-82.1	179.4	0	0	0	113.5	I186 L191 R192 E247 Q480 A481 P484	I186-L188 PolarHBondContact O-N 2.92Å; L188-L191 HydrophobicContact CD2-CD2 4.04Å; L188-R192 WeakPolarHBondContact O-CB 3.32Å; L188-R192 VanDerWaalsContact O-CD 3.26Å; L188-R192 WeakPolarHBondContact O-CD 3.44Å; L188-R192 WeakPolarHBondContact O-CG 3.08Å; L188-R192 PolarHBondContact O-N 3.11Å; L188-E247 HydrophobicContact CD2-CB 3.97Å; L188-E247 HydrophobicContact CD2-CG 4.16Å; L188-Q480 HydrophobicContact CD1-CB 4.3Å; L188-Q480 HydrophobicContact CG-CB 4.31Å; L188-A481 PolarHBondContact N-O 3.44Å; L188-A481 VanDerWaalsContact N-O 3.07Å; L188-P484 HydrophobicContact CD1-CG 4.09Å
189	Q	97.4	Very high	96.8	Very high	127 Å²	127	52.8 Å²	52.8	59%	0.593	28%	0.277	S	S	*	.	H	α-helix	trans	-66.1	-45.2	176.9	-177.3	176.7	0.5	0	0	110	D187 Q193	D187-Q189 VanDerWaalsContact C-N 3.34Å; D187-Q189 PolarHBondContact O-N 3.23Å; D187-Q189 WeakPolarHBondContact OD1-CA 3.23Å; D187-Q189 WeakPolarHBondContact OD1-CB 3.46Å; D187-Q189 PolarHBondContact OD1-N 2.82Å; Q189-Q193 WeakPolarHBondContact O-CG 3.46Å; Q189-Q193 PolarHBondContact O-N 3.42Å
190	H	97.6	Very high	96.5	Very high	75 Å²	75	53.8 Å²	53.8	35%	0.347	28%	0.284	S	S	.	.	H	α-helix	trans	-62.8	-45.8	176	-171.8	64.4	0	0	0	111.8	D187 R192 Q193 E194	D187-H190 HydrophobicContact CB-CB 3.88Å; D187-H190 PolarHBondContact O-N 2.77Å; D187-H190 PolarHBondContact OD1-N 2.86Å; H190-R192 PolarHBondContact O-N 3.35Å; H190-Q193 PolarHBondContact O-N 2.89Å; H190-E194 WeakPolarHBondContact CE1-CG 3.47Å; H190-E194 WeakPolarHBondContact O-CB 3.3Å; H190-E194 PolarHBondContact O-N 3.43Å
191	L	97.8	Very high	96	Very high	2 Å²	2	61 Å²	61	1%	0.01	32%	0.323	C	S	.	.	H	α-helix	trans	-57.5	-48.7	179	-171.6	76.9	0	0	0	111.9	I186 D187 L188 Q193 V195 F249 L265 P266 Y476	I186-L191 HydrophobicContact CG2-CD2 4.18Å; D187-L191 WeakPolarHBondContact O-CB 3.49Å; D187-L191 PolarHBondContact O-N 2.66Å; L188-L191 HydrophobicContact CD2-CD2 4.04Å; L191-Q193 PolarHBondContact O-N 3.43Å; L191-V195 HydrophobicContact CD1-CG2 3.56Å; L191-V195 HydrophobicContact CG-CG2 4.08Å; L191-V195 WeakPolarHBondContact O-CB 3.23Å; L191-V195 WeakPolarHBondContact O-CG2 3.27Å; L191-V195 PolarHBondContact O-N 3.12Å; L191-V195 VanDerWaalsContact O-N 3.12Å; L191-F249 HydrophobicContact CD1-CD2 4.4Å; L191-F249 HydrophobicContact CD2-CD2 4.03Å; L191-F249 HydrophobicContact CD2-CE2 4.12Å; L191-F249 HydrophobicContact CG-CD2 3.92Å; L191-F249 HydrophobicContact CG-CE2 3.83Å; L191-L265 HydrophobicContact CD1-CD2 4.45Å; L191-P266 HydrophobicContact CD1-CG 3.89Å; L191-Y476 HydrophobicContact CD2-CE1 4.45Å; L191-Y476 WeakPolarHBondContact CD2-OH 3.4Å
192	R	97.2	Very high	95.1	Very high	59 Å²	59	60.9 Å²	60.9	22%	0.223	32%	0.316	C	S	.	.	H	α-helix	trans	-61	-32.2	179.9	-72.4	163.7	-171.6	155.6	-0.8	112.8	L188 H190 P196 E247 R483 T485 Q487	L188-R192 WeakPolarHBondContact O-CB 3.32Å; L188-R192 VanDerWaalsContact O-CD 3.26Å; L188-R192 WeakPolarHBondContact O-CD 3.44Å; L188-R192 WeakPolarHBondContact O-CG 3.08Å; L188-R192 PolarHBondContact O-N 3.11Å; H190-R192 PolarHBondContact O-N 3.35Å; R192-P196 VanDerWaalsContact O-CD 3.26Å; R192-P196 WeakPolarHBondContact O-CD 3.43Å; R192-P196 WeakPolarHBondContact O-CG 3.36Å; R192-E247 WeakPolarHBondContact CG-OE1 3.39Å; R192-E247 IonicContact CZ-OE1 3.66Å; R192-E247 IonicContact CZ-OE2 2.85Å; R192-E247 IonicContact NE-OE1 2.77Å; R192-E247 PolarHBondContact NE-OE1 2.95Å; R192-E247 IonicContact NE-OE2 2.63Å; R192-E247 PolarHBondContact NE-OE2 3.08Å; R192-E247 IonicContact NH2-OE1 3.52Å; R192-E247 IonicContact NH2-OE2 3.19Å; R192-E247 PolarHBondContact NH2-OE2 3.21Å; R192-R483 PolarHBondContact NH2-O 2.83Å; R192-T485 PolarHBondContact NH2-OG1 2.83Å; R192-Q487 VanDerWaalsContact NE-NE2 3.11Å
193	Q	96.8	Very high	94.2	Very high	113 Å²	113	60 Å²	60	53%	0.528	31%	0.313	S	S	.	.	H	α-helix	trans	-83.4	-50.8	-179.1	-70.4	176.2	-6.6	0	0	111.7	Q189 H190 L191	Q189-Q193 WeakPolarHBondContact O-CG 3.46Å; Q189-Q193 PolarHBondContact O-N 3.42Å; H190-Q193 PolarHBondContact O-N 2.89Å; L191-Q193 PolarHBondContact O-N 3.43Å
194	E	97.8	Very high	93.9	Very high	46 Å²	46	59.9 Å²	59.9	22%	0.215	31%	0.313	C	S	.	.	H	α-helix	trans	-82.4	-35.2	-168.2	-70.6	-67.1	125.2	0	0	113.9	H190 L197 R198 L265	H190-E194 WeakPolarHBondContact CE1-CG 3.47Å; H190-E194 WeakPolarHBondContact O-CB 3.3Å; H190-E194 PolarHBondContact O-N 3.43Å; E194-L197 PolarHBondContact O-N 3.08Å; E194-R198 WeakPolarHBondContact O-CB 3.44Å; E194-R198 VanDerWaalsContact O-CG 3.29Å; E194-R198 WeakPolarHBondContact O-CG 3.47Å; E194-R198 PolarHBondContact O-N 3.19Å; E194-R198 IonicContact OE2-CZ 3.16Å; E194-R198 IonicContact OE2-NE 2.79Å; E194-R198 PolarHBondContact OE2-NE 2.91Å; E194-R198 IonicContact OE2-NH2 2.72Å; E194-R198 PolarHBondContact OE2-NH2 3.49Å; E194-L265 HydrophobicContact CB-CD1 3.51Å; E194-L265 HydrophobicContact CB-CD2 4.26Å
195	V	97.2	Very high	93.9	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.5	-49.1	-176.5	175.6	0	0	0	0	111.4	L191 L197 R198 F199 L205 F249 L265 I267	L191-V195 HydrophobicContact CD1-CG2 3.56Å; L191-V195 HydrophobicContact CG-CG2 4.08Å; L191-V195 WeakPolarHBondContact O-CB 3.23Å; L191-V195 WeakPolarHBondContact O-CG2 3.27Å; L191-V195 PolarHBondContact O-N 3.12Å; L191-V195 VanDerWaalsContact O-N 3.12Å; V195-L197 PolarHBondContact O-N 3.18Å; V195-R198 PolarHBondContact O-N 2.91Å; V195-F199 HydrophobicContact CG1-CD2 4.1Å; V195-F199 WeakPolarHBondContact O-CB 3.41Å; V195-F199 WeakPolarHBondContact O-CD2 3.37Å; V195-F199 PolarHBondContact O-N 3.07Å; V195-L205 HydrophobicContact CG1-CD1 4.21Å; V195-L205 HydrophobicContact CG1-CD2 3.99Å; V195-F249 HydrophobicContact CB-CD1 4.15Å; V195-F249 HydrophobicContact CB-CD2 3.96Å; V195-F249 HydrophobicContact CB-CE1 4.06Å; V195-F249 HydrophobicContact CB-CE2 3.93Å; V195-F249 HydrophobicContact CB-CG 4.08Å; V195-F249 HydrophobicContact CB-CZ 3.97Å; V195-F249 HydrophobicContact CG1-CB 3.86Å; V195-F249 HydrophobicContact CG1-CD1 3.41Å; V195-F249 VanDerWaalsContact CG1-CD1 3.41Å; V195-F249 HydrophobicContact CG1-CD2 3.84Å; V195-F249 HydrophobicContact CG1-CE1 3.76Å; V195-F249 HydrophobicContact CG1-CE2 4.2Å; V195-F249 HydrophobicContact CG1-CG 3.43Å; V195-F249 VanDerWaalsContact CG1-CG 3.43Å; V195-F249 HydrophobicContact CG1-CZ 4.15Å; V195-F249 HydrophobicContact CG2-CD2 4.08Å; V195-F249 HydrophobicContact CG2-CE2 4.26Å; V195-F249 HydrophobicContact CG2-CG 4.46Å; V195-L265 HydrophobicContact CG2-CB 3.94Å; V195-L265 HydrophobicContact CG2-CD1 3.78Å; V195-L265 HydrophobicContact CG2-CD2 4.46Å; V195-L265 HydrophobicContact CG2-CG 4.27Å; V195-I267 HydrophobicContact CG1-CD1 4.33Å; V195-I267 HydrophobicContact CG1-CG1 4.43Å
196	P	95.6	Very high	94	Very high	24 Å²	24	51.2 Å²	51.2	16%	0.156	25%	0.251	C	S	.	.	H	α-helix	trans	-58.9	-45.7	174.4	-24.1	35.4	0	0	0	112.2	R192 R198 F199 S200 L220 F249	R192-P196 VanDerWaalsContact O-CD 3.26Å; R192-P196 WeakPolarHBondContact O-CD 3.43Å; R192-P196 WeakPolarHBondContact O-CG 3.36Å; P196-R198 VanDerWaalsContact C-N 3.31Å; P196-R198 PolarHBondContact O-N 3.4Å; P196-F199 PolarHBondContact O-N 3.01Å; P196-S200 WeakPolarHBondContact O-CB 3.42Å; P196-S200 PolarHBondContact O-N 3.07Å; P196-S200 PolarHBondContact O-OG 3.13Å; P196-L220 HydrophobicContact CB-CD1 4.2Å; P196-L220 HydrophobicContact CG-CD1 3.96Å; P196-F249 HydrophobicContact CG-CE1 3.99Å; P196-F249 HydrophobicContact CG-CZ 4.04Å
197	L	95.7	Very high	94	Very high	124 Å²	124	51 Å²	51	65%	0.649	25%	0.25	S	S	*	.	H	α-helix	trans	-57.9	-42.4	-178.2	179.4	65.1	0	0	0	112.5	E194 V195	E194-L197 PolarHBondContact O-N 3.08Å; V195-L197 PolarHBondContact O-N 3.18Å
198	R	95.2	Very high	94	Very high	44 Å²	44	47 Å²	47	17%	0.166	23%	0.229	C	C	.	.	H	α-helix	trans	-84.4	-30.2	-174.8	-66.4	177.3	-169.1	-173.3	8.2	113.3	E194 V195 P196 E258 G263	E194-R198 WeakPolarHBondContact O-CB 3.44Å; E194-R198 VanDerWaalsContact O-CG 3.29Å; E194-R198 WeakPolarHBondContact O-CG 3.47Å; E194-R198 PolarHBondContact O-N 3.19Å; E194-R198 IonicContact OE2-CZ 3.16Å; E194-R198 IonicContact OE2-NE 2.79Å; E194-R198 PolarHBondContact OE2-NE 2.91Å; E194-R198 IonicContact OE2-NH2 2.72Å; E194-R198 PolarHBondContact OE2-NH2 3.49Å; V195-R198 PolarHBondContact O-N 2.91Å; P196-R198 VanDerWaalsContact C-N 3.31Å; P196-R198 PolarHBondContact O-N 3.4Å; R198-E258 IonicContact NH1-OE2 3.94Å; R198-G263 PolarHBondContact NH1-O 2.78Å
199	F	95	Very high	94	Very high	6 Å²	6	47 Å²	47	3%	0.026	23%	0.229	C	C	.	.	H	α-helix	trans	-126.2	-13.7	-162.9	-56.8	-70.1	0	0	0	115.7	V195 P196 N201 R202 L205 L257 E258 L265 I267	V195-F199 HydrophobicContact CG1-CD2 4.1Å; V195-F199 WeakPolarHBondContact O-CB 3.41Å; V195-F199 WeakPolarHBondContact O-CD2 3.37Å; V195-F199 PolarHBondContact O-N 3.07Å; P196-F199 PolarHBondContact O-N 3.01Å; F199-N201 PolarHBondContact O-N 3.22Å; F199-N201 VanDerWaalsContact O-N 3.08Å; F199-R202 PolarHBondContact O-N 3.03Å; F199-L205 HydrophobicContact CB-CD2 4.11Å; F199-L257 HydrophobicContact CB-CD1 4.16Å; F199-L257 HydrophobicContact CD1-CB 3.81Å; F199-L257 HydrophobicContact CD1-CD1 4.05Å; F199-L257 HydrophobicContact CD1-CG 4.44Å; F199-L257 HydrophobicContact CE1-CB 3.85Å; F199-L257 HydrophobicContact CG-CD1 4.26Å; F199-E258 HydrophobicContact CZ-CB 4.48Å; F199-L265 HydrophobicContact CE2-CD1 4.12Å; F199-I267 HydrophobicContact CD1-CD1 4.25Å; F199-I267 HydrophobicContact CD2-CD1 3.38Å; F199-I267 HydrophobicContact CE1-CD1 4.23Å; F199-I267 HydrophobicContact CE2-CD1 3.35Å; F199-I267 HydrophobicContact CG-CD1 3.85Å; F199-I267 HydrophobicContact CZ-CD1 3.8Å
200	S	91.1	Very high	94.1	Very high	31 Å²	31	41 Å²	41	22%	0.217	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-27.7	-178.1	68.7	0	0	0	0	113.5	P196 G221	P196-S200 WeakPolarHBondContact O-CB 3.42Å; P196-S200 PolarHBondContact O-N 3.07Å; P196-S200 PolarHBondContact O-OG 3.13Å; S200-G221 WeakPolarHBondContact O-CA 3.44Å
201	N	86.3	Confident	94.1	Very high	155 Å²	155	38.7 Å²	38.7	83%	0.829	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-6.5	179.8	-64.8	-27.1	0	0	0	113.7	F199	F199-N201 PolarHBondContact O-N 3.22Å; F199-N201 VanDerWaalsContact O-N 3.08Å
202	R	78.4	Confident	94.1	Very high	156 Å²	156	43.1 Å²	43.1	59%	0.589	22%	0.216	S	C	*	.	S	Bend	trans	-93.9	1.6	-173.8	-66.7	-166.3	179.2	-171.7	-2.7	114.6	F199 L257	F199-R202 PolarHBondContact O-N 3.03Å; R202-L257 HydrophobicContact CB-CD2 4.39Å
203	G	74.3	Confident	94.2	Very high	21 Å²	21	41 Å²	41	22%	0.216	21%	0.209	C	C	.	.	S	Bend	trans	146.1	-126.7	175.8	0	0	0	0	0	114.1	G221 K222	G203-G221 CarbonylContact O-C 3.2Å; G203-G221 WeakPolarHBondContact O-CA 3.23Å; G203-K222 PolarHBondContact O-N 3.16Å
204	G	90.9	Very high	94.3	Very high	3 Å²	3	40.4 Å²	40.4	3%	0.031	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	107.2	-179.8	0	0	0	0	0	111.6	Y223 N251 V252	G204-Y223 WeakPolarHBondContact CA-O 3.35Å; G204-N251 PolarHBondContact O-OD1 2.94Å; G204-V252 WeakPolarHBondContact O-CG2 3.45Å; G204-V252 PolarHBondContact O-N 3.43Å
205	L	96.6	Very high	94.3	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	137.2	178.8	-178.7	72.7	0	0	0	108.5	V195 F199 L220 F249	V195-L205 HydrophobicContact CG1-CD1 4.21Å; V195-L205 HydrophobicContact CG1-CD2 3.99Å; F199-L205 HydrophobicContact CB-CD2 4.11Å; L205-L220 CarbonylContact C-O 3.5Å; L205-L220 WeakPolarHBondContact CA-O 3.42Å; L205-L220 HydrophobicContact CB-CB 4.13Å; L205-L220 WeakPolarHBondContact CB-O 3.43Å; L205-L220 HydrophobicContact CD2-CB 4.06Å; L205-L220 HydrophobicContact CD2-CD1 4Å; L205-L220 HydrophobicContact CG-CB 4.29Å; L205-L220 HydrophobicContact CG-CD1 4.49Å; L205-L220 PolarHBondContact N-O 2.93Å; L205-L220 CarbonylContact O-C 3.48Å; L205-L220 WeakPolarHBondContact O-CA 3.48Å; L205-L220 PolarHBondContact O-N 2.9Å; L205-F249 HydrophobicContact CD1-CB 4.12Å; L205-F249 HydrophobicContact CD1-CD1 4.14Å; L205-F249 HydrophobicContact CD2-CD1 4.12Å; L205-F249 HydrophobicContact CG-CD1 4.06Å
206	V	97.9	Very high	94.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	126.7	179	-168.1	0	0	0	0	108.6	Y208 R217 R218 T219 T224 K227 F249 I250 V252	V206-Y208 HydrophobicContact CB-CD2 4.04Å; V206-Y208 HydrophobicContact CB-CE2 3.51Å; V206-Y208 HydrophobicContact CG1-CD2 3.75Å; V206-Y208 HydrophobicContact CG1-CE1 4.27Å; V206-Y208 HydrophobicContact CG1-CE2 3.25Å; V206-Y208 HydrophobicContact CG1-CG 4.46Å; V206-Y208 HydrophobicContact CG2-CE2 4.43Å; V206-R217 HydrophobicContact CG1-CB 4.15Å; V206-R218 WeakPolarHBondContact CG1-O 3.31Å; V206-T219 HydrophobicContact CG2-CG2 4.5Å; V206-T224 HydrophobicContact CG2-CG2 4.36Å; V206-K227 HydrophobicContact CG2-CB 3.86Å; V206-F249 CarbonylContact O-C 3.52Å; V206-F249 WeakPolarHBondContact O-CA 3.49Å; V206-I250 PolarHBondContact N-O 3.11Å; V206-I250 PolarHBondContact O-N 2.77Å; V206-V252 HydrophobicContact CG2-CG1 4.04Å; V206-V252 HydrophobicContact CG2-CG2 4.23Å
207	H	98.4	Very high	94.5	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	119.9	175.5	-175.2	-153.5	0	0	0	108	R217 R218 L220 E247 F248 F249 M490	H207-R217 CarbonylContact O-C 3.59Å; H207-R217 WeakPolarHBondContact O-CA 3.42Å; H207-R218 HydrophobicContact CB-CG 3.69Å; H207-R218 PolarHBondContact N-O 2.76Å; H207-R218 PolarHBondContact ND1-NE 2.8Å; H207-R218 VanDerWaalsContact ND1-NE 3.12Å; H207-R218 PolarHBondContact ND1-NH2 3.13Å; H207-R218 PolarHBondContact O-N 3.26Å; H207-L220 HydrophobicContact CB-CD1 4.23Å; H207-E247 IonicContact CE1-OE1 2.71Å; H207-E247 PolarHBondContact CE1-OE1 3.14Å; H207-E247 VanDerWaalsContact NE2-CG 3.3Å; H207-E247 WeakPolarHBondContact NE2-CG 3.41Å; H207-E247 IonicContact NE2-OE1 3.78Å; H207-E247 PolarHBondContact NE2-OE1 3.39Å; H207-E247 VanDerWaalsContact NE2-OE1 3.12Å; H207-F248 PolarHBondContact CD2-O 2.86Å; H207-F249 HydrophobicContact CB-CD1 3.75Å; H207-F249 HydrophobicContact CB-CE1 3.49Å; H207-F249 VanDerWaalsContact CB-CE1 3.49Å; H207-F249 HydrophobicContact CB-CG 4.5Å; H207-F249 HydrophobicContact CB-CZ 3.99Å; H207-F249 AromaticContact CD2-CD1 4Å; H207-F249 AromaticContact CD2-CD2 3.67Å; H207-F249 AromaticContact CD2-CE1 3.7Å; H207-F249 AromaticContact CD2-CE2 3.3Å; H207-F249 WeakPolarHBondContact CD2-CE2 3.47Å; H207-F249 AromaticContact CD2-CZ 3.33Å; H207-F249 WeakPolarHBondContact CD2-CZ 3.35Å; H207-F249 AromaticContact CE1-CZ 3.92Å; H207-F249 AromaticContact CG-CE1 3.55Å; H207-F249 AromaticContact CG-CE2 3.96Å; H207-F249 AromaticContact CG-CZ 3.48Å; H207-F249 VanDerWaalsContact CG-CZ 3.48Å; H207-F249 AromaticContact ND1-CZ 3.85Å; H207-F249 AromaticContact NE2-CE2 3.46Å; H207-F249 WeakPolarHBondContact NE2-CE2 3.41Å; H207-F249 AromaticContact NE2-CZ 3.62Å; H207-M490 HydrophobicContact CB-CE 4.29Å; H207-M490 WeakPolarHBondContact CE1-CE 3.4Å; H207-M490 WeakPolarHBondContact ND1-CE 3.49Å
208	Y	98.8	Very high	94.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	147.3	-179.1	-75.3	-85.7	0	0	0	110.7	V206 V215 Y216 R217 K227 S230 D231 L234 E247 F248 I250	V206-Y208 HydrophobicContact CB-CD2 4.04Å; V206-Y208 HydrophobicContact CB-CE2 3.51Å; V206-Y208 HydrophobicContact CG1-CD2 3.75Å; V206-Y208 HydrophobicContact CG1-CE1 4.27Å; V206-Y208 HydrophobicContact CG1-CE2 3.25Å; V206-Y208 HydrophobicContact CG1-CG 4.46Å; V206-Y208 HydrophobicContact CG2-CE2 4.43Å; Y208-V215 HydrophobicContact CD1-CG1 3.98Å; Y208-V215 HydrophobicContact CE1-CG1 4.29Å; Y208-Y216 CarbonylContact C-O 3.59Å; Y208-Y216 VanDerWaalsContact CA-O 3.31Å; Y208-Y216 WeakPolarHBondContact CA-O 3.07Å; Y208-R217 HydrophobicContact CD1-CB 3.59Å; Y208-R217 HydrophobicContact CE1-CB 3.64Å; Y208-R217 HydrophobicContact CE1-CG 4.36Å; Y208-R217 HydrophobicContact CG-CB 4.25Å; Y208-K227 PolarHBondContact OH-O 2.87Å; Y208-S230 PolarHBondContact OH-OG 3.34Å; Y208-D231 WeakPolarHBondContact CE1-OD1 3.31Å; Y208-D231 PolarHBondContact OH-OD1 2.97Å; Y208-L234 HydrophobicContact CD1-CD1 3.71Å; Y208-L234 HydrophobicContact CE1-CD1 3.86Å; Y208-L234 HydrophobicContact CG-CD1 4.09Å; Y208-E247 WeakPolarHBondContact O-CA 3.22Å; Y208-F248 AromaticContact CD2-CE2 3.95Å; Y208-F248 HydrophobicContact CD2-CE2 3.95Å; Y208-F248 AromaticContact CG-CE2 3.97Å; Y208-F248 HydrophobicContact CG-CE2 3.97Å; Y208-F248 HydrophobicContact CG-CZ 4.26Å; Y208-F248 PolarHBondContact N-O 2.98Å; Y208-F248 PolarHBondContact O-N 2.85Å; Y208-I250 HydrophobicContact CD2-CB 4.37Å; Y208-I250 HydrophobicContact CD2-CD1 3.94Å; Y208-I250 HydrophobicContact CD2-CG1 4.02Å; Y208-I250 HydrophobicContact CE2-CB 4.26Å; Y208-I250 HydrophobicContact CE2-CD1 3.87Å; Y208-I250 HydrophobicContact CE2-CG1 4.21Å
209	A	98.8	Very high	94.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	130.2	163.9	0	0	0	0	0	109	V211 Y216 V246 E247 M490	A209-V211 HydrophobicContact CB-CG2 4.29Å; A209-Y216 PolarHBondContact N-O 3.06Å; A209-Y216 PolarHBondContact O-N 3.23Å; A209-V246 CarbonylContact C-O 3.56Å; A209-V246 WeakPolarHBondContact CA-O 3.35Å; A209-E247 HydrophobicContact CB-CB 4.26Å; A209-E247 HydrophobicContact CB-CG 4.3Å; A209-M490 HydrophobicContact CB-CE 4.05Å; A209-M490 HydrophobicContact CB-SD 3.85Å
210	I	98.8	Very high	94.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	118.2	166.3	-55.9	174.9	0	0	0	105.9	K214 V215 L234 T238 V243 D245 V246 F248 L473	I210-K214 CarbonylContact C-O 3.6Å; I210-K214 VanDerWaalsContact CA-O 3.26Å; I210-K214 WeakPolarHBondContact CA-O 3.15Å; I210-V215 HydrophobicContact CG1-CG2 4.36Å; I210-L234 HydrophobicContact CD1-CD2 4.18Å; I210-T238 HydrophobicContact CG2-CG2 4.31Å; I210-V243 HydrophobicContact CD1-CB 4.47Å; I210-V243 HydrophobicContact CD1-CG1 3.8Å; I210-V243 HydrophobicContact CG2-CB 4.23Å; I210-V243 HydrophobicContact CG2-CG1 4.3Å; I210-D245 CarbonylContact O-C 3.54Å; I210-D245 WeakPolarHBondContact O-CA 3.34Å; I210-V246 HydrophobicContact CB-CG1 4.04Å; I210-V246 HydrophobicContact CD1-CG1 4.13Å; I210-V246 HydrophobicContact CG1-CG1 4.29Å; I210-V246 PolarHBondContact N-O 2.88Å; I210-V246 PolarHBondContact O-N 3.23Å; I210-F248 HydrophobicContact CD1-CE1 4.29Å; I210-F248 HydrophobicContact CG1-CE1 4.43Å; I210-L473 HydrophobicContact CD1-CD1 4.13Å
211	V	98.6	Very high	94.3	Very high	28 Å²	28	38.9 Å²	38.9	17%	0.17	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	126.9	-178.9	-179.6	0	0	0	0	108.1	A209 N213 K214 Y216 D245	A209-V211 HydrophobicContact CB-CG2 4.29Å; V211-N213 PolarHBondContact O-N 3.34Å; V211-K214 PolarHBondContact N-O 2.85Å; V211-K214 WeakPolarHBondContact O-CB 3.01Å; V211-K214 PolarHBondContact O-N 2.96Å; V211-Y216 HydrophobicContact CB-CD2 4.5Å; V211-Y216 HydrophobicContact CB-CE2 4.23Å; V211-D245 WeakPolarHBondContact CA-OD1 3.22Å
212	D	97.6	Very high	94.3	Very high	95 Å²	95	39.1 Å²	39.1	51%	0.508	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	42.7	-172.9	-178	32.5	0	0	0	111.5	K214 R242 D245	D212-K214 PolarHBondContact O-N 3.02Å; D212-K214 IonicContact OD2-NZ 3.58Å; D212-R242 IonicContact OD1-NH1 3.31Å; D212-D245 PolarHBondContact N-OD1 2.91Å
213	N	97.9	Very high	94.7	Very high	15 Å²	15	38.8 Å²	38.8	8%	0.08	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	17.3	-177.7	-159.4	61.3	0	0	0	115	V211 T238 V241 R242 V243	V211-N213 PolarHBondContact O-N 3.34Å; N213-T238 PolarHBondContact ND2-O 3.23Å; N213-V241 PolarHBondContact OD1-O 3.33Å; N213-R242 VanDerWaalsContact CB-NH1 3.27Å; N213-R242 WeakPolarHBondContact OD1-CA 3.17Å; N213-V243 PolarHBondContact OD1-N 2.94Å
214	K	98.6	Very high	95.6	Very high	100 Å²	100	38.5 Å²	38.5	44%	0.435	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	139.1	173.3	-67	170.5	-175.5	160.8	0	110	I210 V211 D212 Y216 L492	I210-K214 CarbonylContact C-O 3.6Å; I210-K214 VanDerWaalsContact CA-O 3.26Å; I210-K214 WeakPolarHBondContact CA-O 3.15Å; V211-K214 PolarHBondContact N-O 2.85Å; V211-K214 WeakPolarHBondContact O-CB 3.01Å; V211-K214 PolarHBondContact O-N 2.96Å; D212-K214 PolarHBondContact O-N 3.02Å; D212-K214 IonicContact OD2-NZ 3.58Å; K214-Y216 HydrophobicContact CB-CD2 4.46Å; K214-Y216 HydrophobicContact CB-CE2 3.64Å; K214-Y216 WeakPolarHBondContact O-CD2 3.34Å; K214-L492 HydrophobicContact CB-CD1 4.2Å
215	V	98.8	Very high	95.6	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.012	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	122.9	-177.4	-175.5	0	0	0	0	109.6	Y208 I210 L234 L235 T238 V493	Y208-V215 HydrophobicContact CD1-CG1 3.98Å; Y208-V215 HydrophobicContact CE1-CG1 4.29Å; I210-V215 HydrophobicContact CG1-CG2 4.36Å; V215-L234 HydrophobicContact CG1-CB 4.35Å; V215-L234 HydrophobicContact CG1-CD1 4.23Å; V215-L234 HydrophobicContact CG2-CB 4.12Å; V215-L235 HydrophobicContact CB-CD2 4.33Å; V215-L235 HydrophobicContact CG2-CD2 4.17Å; V215-T238 HydrophobicContact CG2-CG2 4.08Å; V215-V493 HydrophobicContact CB-CB 4.2Å; V215-V493 HydrophobicContact CB-CG2 4.5Å; V215-V493 HydrophobicContact CG1-CB 4.15Å; V215-V493 HydrophobicContact CG1-CG2 3.98Å; V215-V493 PolarHBondContact O-N 3.06Å
216	Y	98.8	Very high	95.5	Very high	32 Å²	32	47.8 Å²	47.8	13%	0.125	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	149.5	173.5	-58.6	-89	0	0	0	109.4	Y208 A209 V211 K214 Q486 E491 L492	Y208-Y216 CarbonylContact C-O 3.59Å; Y208-Y216 VanDerWaalsContact CA-O 3.31Å; Y208-Y216 WeakPolarHBondContact CA-O 3.07Å; A209-Y216 PolarHBondContact N-O 3.06Å; A209-Y216 PolarHBondContact O-N 3.23Å; V211-Y216 HydrophobicContact CB-CD2 4.5Å; V211-Y216 HydrophobicContact CB-CE2 4.23Å; K214-Y216 HydrophobicContact CB-CD2 4.46Å; K214-Y216 HydrophobicContact CB-CE2 3.64Å; K214-Y216 WeakPolarHBondContact O-CD2 3.34Å; Y216-Q486 HydrophobicContact CD1-CB 4.27Å; Y216-Q486 HydrophobicContact CD1-CG 3.64Å; Y216-Q486 HydrophobicContact CD2-CB 4.43Å; Y216-Q486 HydrophobicContact CE1-CG 4.08Å; Y216-Q486 HydrophobicContact CG-CB 4.21Å; Y216-Q486 HydrophobicContact CG-CG 3.94Å; Y216-E491 CarbonylContact C-O 3.54Å; Y216-E491 VanDerWaalsContact CA-O 3.25Å; Y216-E491 WeakPolarHBondContact CA-O 3.43Å; Y216-L492 HydrophobicContact CD1-CB 4.22Å; Y216-L492 HydrophobicContact CD1-CD1 4.2Å; Y216-L492 HydrophobicContact CE1-CB 4.13Å; Y216-L492 HydrophobicContact CE1-CD1 3.8Å
217	R	98.4	Very high	95.4	Very high	28 Å²	28	49.7 Å²	49.7	11%	0.106	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	162.7	177.9	71.4	176.1	-175.2	-179.4	-10.7	113.8	V206 H207 Y208 K227 D231 M490 E491 V493	V206-R217 HydrophobicContact CG1-CB 4.15Å; H207-R217 CarbonylContact O-C 3.59Å; H207-R217 WeakPolarHBondContact O-CA 3.42Å; Y208-R217 HydrophobicContact CD1-CB 3.59Å; Y208-R217 HydrophobicContact CE1-CB 3.64Å; Y208-R217 HydrophobicContact CE1-CG 4.36Å; Y208-R217 HydrophobicContact CG-CB 4.25Å; R217-K227 VanDerWaalsContact NH1-CE 3.31Å; R217-D231 IonicContact CZ-OD1 2.64Å; R217-D231 IonicContact CZ-OD2 3.42Å; R217-D231 IonicContact NE-OD1 3.19Å; R217-D231 IonicContact NH1-OD1 2.7Å; R217-D231 PolarHBondContact NH1-OD1 2.84Å; R217-D231 IonicContact NH1-OD2 3.36Å; R217-D231 PolarHBondContact NH1-OD2 3.01Å; R217-D231 IonicContact NH2-OD2 2.66Å; R217-M490 CarbonylContact O-C 3.53Å; R217-M490 WeakPolarHBondContact O-CA 3.39Å; R217-E491 HydrophobicContact CG-CG 3.95Å; R217-E491 IonicContact CZ-OE1 2.97Å; R217-E491 VanDerWaalsContact CZ-OE1 3.28Å; R217-E491 PolarHBondContact N-O 2.93Å; R217-E491 IonicContact NE-OE1 2.88Å; R217-E491 PolarHBondContact NE-OE1 2.8Å; R217-E491 IonicContact NH2-OE1 3.91Å; R217-E491 PolarHBondContact NH2-OE1 2.81Å; R217-E491 PolarHBondContact O-N 2.98Å; R217-V493 HydrophobicContact CB-CG2 4.24Å; R217-V493 HydrophobicContact CG-CG2 3.6Å
218	R	97.2	Very high	95.4	Very high	44 Å²	44	53.9 Å²	53.9	17%	0.166	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	142.2	160.4	61.6	176.8	-174.5	-173.7	-1.8	110.1	V206 H207 D489 M490	V206-R218 WeakPolarHBondContact CG1-O 3.31Å; H207-R218 HydrophobicContact CB-CG 3.69Å; H207-R218 PolarHBondContact N-O 2.76Å; H207-R218 PolarHBondContact ND1-NE 2.8Å; H207-R218 VanDerWaalsContact ND1-NE 3.12Å; H207-R218 PolarHBondContact ND1-NH2 3.13Å; H207-R218 PolarHBondContact O-N 3.26Å; R218-D489 VanDerWaalsContact CD-OD1 3.24Å; R218-D489 WeakPolarHBondContact CD-OD1 3.45Å; R218-D489 WeakPolarHBondContact CD-OD2 3.28Å; R218-D489 IonicContact CZ-OD1 2.67Å; R218-D489 IonicContact CZ-OD2 3.85Å; R218-D489 IonicContact NE-OD1 2.72Å; R218-D489 IonicContact NE-OD2 2.66Å; R218-D489 IonicContact NH1-OD1 3.52Å; R218-D489 PolarHBondContact NH1-OD1 2.89Å; R218-D489 IonicContact NH1-OD2 3.08Å; R218-D489 PolarHBondContact NH1-OD2 3.38Å; R218-M490 HydrophobicContact CB-CG 4.2Å; R218-M490 HydrophobicContact CG-CG 4.14Å
219	T	96.2	Very high	95.3	Very high	66 Å²	66	55 Å²	55	41%	0.405	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	133.8	178	51.1	0	0	0	0	111	V206 T224 K227	V206-T219 HydrophobicContact CG2-CG2 4.5Å; T219-T224 HydrophobicContact CG2-CG2 4.33Å; T219-K227 HydrophobicContact CG2-CD 3.38Å
220	L	93.2	Very high	95.2	Very high	30 Å²	30	55.1 Å²	55.1	16%	0.157	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	128.8	178.7	-59.1	172.3	0	0	0	108.8	P196 L205 H207 F249	P196-L220 HydrophobicContact CB-CD1 4.2Å; P196-L220 HydrophobicContact CG-CD1 3.96Å; L205-L220 CarbonylContact C-O 3.5Å; L205-L220 WeakPolarHBondContact CA-O 3.42Å; L205-L220 HydrophobicContact CB-CB 4.13Å; L205-L220 WeakPolarHBondContact CB-O 3.43Å; L205-L220 HydrophobicContact CD2-CB 4.06Å; L205-L220 HydrophobicContact CD2-CD1 4Å; L205-L220 HydrophobicContact CG-CB 4.29Å; L205-L220 HydrophobicContact CG-CD1 4.49Å; L205-L220 PolarHBondContact N-O 2.93Å; L205-L220 CarbonylContact O-C 3.48Å; L205-L220 WeakPolarHBondContact O-CA 3.48Å; L205-L220 PolarHBondContact O-N 2.9Å; H207-L220 HydrophobicContact CB-CD1 4.23Å; L220-F249 HydrophobicContact CD1-CD1 4.28Å; L220-F249 HydrophobicContact CD1-CE1 3.65Å
221	G	86	Confident	95.2	Very high	41 Å²	41	55.9 Å²	55.9	42%	0.423	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	93.9	-171.9	-178.2	0	0	0	0	0	114.2	S200 G203	S200-G221 WeakPolarHBondContact O-CA 3.44Å; G203-G221 CarbonylContact O-C 3.2Å; G203-G221 WeakPolarHBondContact O-CA 3.23Å
222	K	85.1	Confident	95.2	Very high	160 Å²	160	57.4 Å²	57.4	70%	0.696	28%	0.279	S	S	*	.	S	Bend	trans	-95.4	-31.5	-161	-171	177.1	178.4	-169	0	114.5	G203	G203-K222 PolarHBondContact O-N 3.16Å
223	Y	87.8	Confident	95.2	Very high	148 Å²	148	53 Å²	53	58%	0.58	26%	0.255	S	S	*	.			trans	-125.6	74	-169.9	-59.2	-66.8	0	0	0	110.8	G204	G204-Y223 WeakPolarHBondContact CA-O 3.35Å
224	T	92.1	Very high	95.2	Very high	15 Å²	15	52.4 Å²	52.4	9%	0.092	25%	0.253	C	S	.	.			trans	-104.7	9.3	-173.4	53.2	0	0	0	0	114.1	V206 T219 F226 K227	V206-T224 HydrophobicContact CG2-CG2 4.36Å; T219-T224 HydrophobicContact CG2-CG2 4.33Å; T224-F226 PolarHBondContact O-N 2.91Å; T224-K227 WeakPolarHBondContact O-CB 3.19Å; T224-K227 WeakPolarHBondContact O-CD 3.44Å; T224-K227 WeakPolarHBondContact O-CG 3.25Å; T224-K227 PolarHBondContact O-N 2.81Å
225	D	92.7	Very high	95.2	Very high	117 Å²	117	48.5 Å²	48.5	63%	0.626	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-26.7	-171.9	-66.7	-27.5	0	0	0	113.9	K227 M228	D225-K227 PolarHBondContact O-N 3.02Å; D225-K227 IonicContact OD1-NZ 3.6Å; D225-M228 WeakPolarHBondContact O-CG 3.44Å; D225-M228 PolarHBondContact O-N 2.86Å
226	F	94.4	Very high	95.2	Very high	83 Å²	83	48.4 Å²	48.4	36%	0.364	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-8.4	174.6	-81.5	-122.4	0	0	0	113.2	T224 M228 F229 V252 Y284	T224-F226 PolarHBondContact O-N 2.91Å; F226-M228 PolarHBondContact O-N 2.85Å; F226-M228 VanDerWaalsContact O-N 3.11Å; F226-F229 HydrophobicContact CB-CD2 4.22Å; F226-F229 HydrophobicContact CB-CE2 4.47Å; F226-F229 HydrophobicContact CD1-CD2 4.02Å; F226-F229 AromaticContact CD1-CE2 3.72Å; F226-F229 HydrophobicContact CD1-CE2 3.72Å; F226-F229 HydrophobicContact CE1-CE2 4.09Å; F226-F229 HydrophobicContact CG-CD2 4.3Å; F226-F229 HydrophobicContact CG-CE2 4.09Å; F226-F229 WeakPolarHBondContact O-CD2 3.43Å; F226-F229 PolarHBondContact O-N 3.48Å; F226-F229 VanDerWaalsContact O-N 3.12Å; F226-V252 HydrophobicContact CB-CB 3.94Å; F226-V252 HydrophobicContact CB-CG2 4.34Å; F226-Y284 AromaticContact CD1-CD1 3.77Å; F226-Y284 HydrophobicContact CD1-CD1 3.77Å; F226-Y284 HydrophobicContact CD1-CD2 4.29Å; F226-Y284 AromaticContact CD1-CE1 3.84Å; F226-Y284 HydrophobicContact CD1-CE1 3.84Å; F226-Y284 HydrophobicContact CD1-CE2 4.42Å; F226-Y284 HydrophobicContact CD1-CG 4.02Å; F226-Y284 HydrophobicContact CE1-CD1 4.01Å; F226-Y284 HydrophobicContact CE1-CD2 4.09Å; F226-Y284 AromaticContact CE1-CE1 3.65Å; F226-Y284 HydrophobicContact CE1-CE1 3.65Å; F226-Y284 AromaticContact CE1-CE2 3.81Å; F226-Y284 HydrophobicContact CE1-CE2 3.81Å; F226-Y284 HydrophobicContact CE1-CG 4.23Å; F226-Y284 AromaticContact CE1-CZ 3.6Å
227	K	96	Very high	95.2	Very high	39 Å²	39	47 Å²	47	17%	0.17	23%	0.23	C	C	.	.	H	α-helix	trans	-53.6	-25.9	168.1	73	-169	-174.1	-65.4	0	113.2	V206 Y208 R217 T219 T224 D225 F229 S230 D231	V206-K227 HydrophobicContact CG2-CB 3.86Å; Y208-K227 PolarHBondContact OH-O 2.87Å; R217-K227 VanDerWaalsContact NH1-CE 3.31Å; T219-K227 HydrophobicContact CG2-CD 3.38Å; T224-K227 WeakPolarHBondContact O-CB 3.19Å; T224-K227 WeakPolarHBondContact O-CD 3.44Å; T224-K227 WeakPolarHBondContact O-CG 3.25Å; T224-K227 PolarHBondContact O-N 2.81Å; D225-K227 PolarHBondContact O-N 3.02Å; D225-K227 IonicContact OD1-NZ 3.6Å; K227-F229 PolarHBondContact O-N 2.84Å; K227-S230 WeakPolarHBondContact CA-OG 3.27Å; K227-S230 PolarHBondContact O-N 2.9Å; K227-S230 VanDerWaalsContact O-N 3.14Å; K227-S230 PolarHBondContact O-OG 3.47Å; K227-D231 PolarHBondContact O-N 2.83Å
228	M	96.7	Very high	95.2	Very high	88 Å²	88	45.6 Å²	45.6	43%	0.433	23%	0.225	S	C	.	.	H	α-helix	trans	-54.4	-36.7	176.7	65.5	-178.4	-72.4	0	0	112.3	D225 F226 E232	D225-M228 WeakPolarHBondContact O-CG 3.44Å; D225-M228 PolarHBondContact O-N 2.86Å; F226-M228 PolarHBondContact O-N 2.85Å; F226-M228 VanDerWaalsContact O-N 3.11Å; M228-E232 WeakPolarHBondContact O-CB 3.38Å; M228-E232 VanDerWaalsContact O-CG 3.27Å; M228-E232 WeakPolarHBondContact O-CG 3.45Å; M228-E232 PolarHBondContact O-N 2.79Å
229	F	97.3	Very high	95.3	Very high	25 Å²	25	44.1 Å²	44.1	11%	0.11	22%	0.219	C	C	.	.	H	α-helix	trans	-71.8	-40.4	179.9	-57.8	-65.3	0	0	0	112.2	F226 K227 M233 Y284 H288	F226-F229 HydrophobicContact CB-CD2 4.22Å; F226-F229 HydrophobicContact CB-CE2 4.47Å; F226-F229 HydrophobicContact CD1-CD2 4.02Å; F226-F229 AromaticContact CD1-CE2 3.72Å; F226-F229 HydrophobicContact CD1-CE2 3.72Å; F226-F229 HydrophobicContact CE1-CE2 4.09Å; F226-F229 HydrophobicContact CG-CD2 4.3Å; F226-F229 HydrophobicContact CG-CE2 4.09Å; F226-F229 WeakPolarHBondContact O-CD2 3.43Å; F226-F229 PolarHBondContact O-N 3.48Å; F226-F229 VanDerWaalsContact O-N 3.12Å; K227-F229 PolarHBondContact O-N 2.84Å; F229-M233 WeakPolarHBondContact O-CB 3.36Å; F229-M233 PolarHBondContact O-N 3.24Å; F229-Y284 HydrophobicContact CD2-CD2 4.29Å; F229-Y284 HydrophobicContact CD2-CG 4.09Å; F229-Y284 HydrophobicContact CE2-CD2 4.04Å; F229-Y284 HydrophobicContact CE2-CG 4.25Å; F229-Y284 HydrophobicContact CZ-CD2 4.4Å; F229-H288 HydrophobicContact CD1-CB 3.82Å; F229-H288 AromaticContact CD1-ND1 3.92Å; F229-H288 HydrophobicContact CE1-CB 3.77Å; F229-H288 AromaticContact CE1-CG 3.65Å; F229-H288 AromaticContact CE1-ND1 3.55Å
230	S	97.9	Very high	95.3	Very high	1 Å²	1	41 Å²	41	1%	0.007	20%	0.2	C	C	.	.	H	α-helix	trans	-69.9	-39	174.7	44.7	0	0	0	0	111.7	Y208 K227 M233 L234	Y208-S230 PolarHBondContact OH-OG 3.34Å; K227-S230 WeakPolarHBondContact CA-OG 3.27Å; K227-S230 PolarHBondContact O-N 2.9Å; K227-S230 VanDerWaalsContact O-N 3.14Å; K227-S230 PolarHBondContact O-OG 3.47Å; S230-M233 PolarHBondContact O-N 2.64Å; S230-L234 WeakPolarHBondContact O-CB 3.48Å; S230-L234 WeakPolarHBondContact O-CG 3.35Å; S230-L234 PolarHBondContact O-N 2.76Å
231	D	98.4	Very high	95.5	Very high	16 Å²	16	39.6 Å²	39.6	9%	0.086	19%	0.193	C	C	.	.	H	α-helix	trans	-59.9	-52.4	175.1	-56.4	-29.9	0	0	0	111.3	Y208 R217 K227 M233 L234 L235 V493	Y208-D231 WeakPolarHBondContact CE1-OD1 3.31Å; Y208-D231 PolarHBondContact OH-OD1 2.97Å; R217-D231 IonicContact CZ-OD1 2.64Å; R217-D231 IonicContact CZ-OD2 3.42Å; R217-D231 IonicContact NE-OD1 3.19Å; R217-D231 IonicContact NH1-OD1 2.7Å; R217-D231 PolarHBondContact NH1-OD1 2.84Å; R217-D231 IonicContact NH1-OD2 3.36Å; R217-D231 PolarHBondContact NH1-OD2 3.01Å; R217-D231 IonicContact NH2-OD2 2.66Å; K227-D231 PolarHBondContact O-N 2.83Å; D231-M233 VanDerWaalsContact C-N 3.27Å; D231-M233 PolarHBondContact O-N 2.92Å; D231-L234 PolarHBondContact O-N 2.94Å; D231-L235 WeakPolarHBondContact O-CB 3.27Å; D231-L235 VanDerWaalsContact O-CG 3.27Å; D231-L235 WeakPolarHBondContact O-CG 3.21Å; D231-L235 PolarHBondContact O-N 2.52Å; D231-V493 HydrophobicContact CB-CG1 4.12Å
232	E	97.3	Very high	96.1	Very high	61 Å²	61	43 Å²	43	29%	0.285	19%	0.193	S	C	.	.	H	α-helix	trans	-58.4	-42.8	-177.6	-76.1	-178.6	163.7	0	0	110.8	M228 S236 L291	M228-E232 WeakPolarHBondContact O-CB 3.38Å; M228-E232 VanDerWaalsContact O-CG 3.27Å; M228-E232 WeakPolarHBondContact O-CG 3.45Å; M228-E232 PolarHBondContact O-N 2.79Å; E232-S236 WeakPolarHBondContact O-CB 3.33Å; E232-S236 PolarHBondContact O-N 3.12Å; E232-L291 HydrophobicContact CB-CD1 3.88Å
233	M	98.4	Very high	96.7	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-67	-45.5	177.9	-172.4	63	-106.6	0	0	112.8	F229 S230 D231 S236 L237 T287 L291 L465 Y466 Y469	F229-M233 WeakPolarHBondContact O-CB 3.36Å; F229-M233 PolarHBondContact O-N 3.24Å; S230-M233 PolarHBondContact O-N 2.64Å; D231-M233 VanDerWaalsContact C-N 3.27Å; D231-M233 PolarHBondContact O-N 2.92Å; M233-S236 PolarHBondContact O-N 3.11Å; M233-L237 HydrophobicContact CE-CB 4.18Å; M233-L237 WeakPolarHBondContact O-CB 3.41Å; M233-L237 PolarHBondContact O-N 2.86Å; M233-T287 HydrophobicContact CB-CG2 3.68Å; M233-T287 HydrophobicContact CG-CG2 3.88Å; M233-T287 HydrophobicContact SD-CG2 3.92Å; M233-L291 HydrophobicContact CB-CD1 4.37Å; M233-L465 HydrophobicContact SD-CD2 4.06Å; M233-Y466 HydrophobicContact CE-CD1 3.46Å; M233-Y466 VanDerWaalsContact CE-CD1 3.46Å; M233-Y466 HydrophobicContact CE-CE1 3.18Å; M233-Y466 HydrophobicContact CE-CE2 4.48Å; M233-Y466 HydrophobicContact CE-CG 4.22Å; M233-Y469 HydrophobicContact CG-CD1 4.02Å; M233-Y469 HydrophobicContact CG-CD2 3.89Å; M233-Y469 HydrophobicContact CG-CE1 3.74Å; M233-Y469 HydrophobicContact CG-CE2 3.61Å; M233-Y469 HydrophobicContact CG-CG 4.07Å; M233-Y469 HydrophobicContact SD-CD2 3.99Å; M233-Y469 HydrophobicContact SD-CE2 3.88Å
234	L	98.8	Very high	97.2	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.021	15%	0.148	C	C	.	.	H	α-helix	trans	-66.9	-42.7	179.6	-68.3	177.5	0	0	0	111.8	Y208 I210 V215 S230 D231 S236 L237 T238 F248 L473	Y208-L234 HydrophobicContact CD1-CD1 3.71Å; Y208-L234 HydrophobicContact CE1-CD1 3.86Å; Y208-L234 HydrophobicContact CG-CD1 4.09Å; I210-L234 HydrophobicContact CD1-CD2 4.18Å; V215-L234 HydrophobicContact CG1-CB 4.35Å; V215-L234 HydrophobicContact CG1-CD1 4.23Å; V215-L234 HydrophobicContact CG2-CB 4.12Å; S230-L234 WeakPolarHBondContact O-CB 3.48Å; S230-L234 WeakPolarHBondContact O-CG 3.35Å; S230-L234 PolarHBondContact O-N 2.76Å; D231-L234 PolarHBondContact O-N 2.94Å; L234-S236 VanDerWaalsContact C-N 3.31Å; L234-S236 PolarHBondContact O-N 3.18Å; L234-L237 PolarHBondContact O-N 2.82Å; L234-T238 WeakPolarHBondContact O-CB 3.34Å; L234-T238 WeakPolarHBondContact O-CG2 3.49Å; L234-T238 PolarHBondContact O-N 2.74Å; L234-T238 PolarHBondContact O-OG1 2.94Å; L234-F248 HydrophobicContact CD1-CE2 4.46Å; L234-F248 HydrophobicContact CD1-CZ 3.97Å; L234-F248 HydrophobicContact CD2-CZ 4.29Å; L234-L473 HydrophobicContact CD2-CD1 3.93Å
235	L	98.7	Very high	97.5	Very high	17 Å²	17	32.9 Å²	32.9	9%	0.089	16%	0.159	C	C	.	.	H	α-helix	trans	-61.6	-42.8	172.9	-69.3	179	0	0	0	111	V215 D231 T238 R239 V493 P494 Q495	V215-L235 HydrophobicContact CB-CD2 4.33Å; V215-L235 HydrophobicContact CG2-CD2 4.17Å; D231-L235 WeakPolarHBondContact O-CB 3.27Å; D231-L235 VanDerWaalsContact O-CG 3.27Å; D231-L235 WeakPolarHBondContact O-CG 3.21Å; D231-L235 PolarHBondContact O-N 2.52Å; L235-T238 WeakPolarHBondContact CA-OG1 3.14Å; L235-T238 PolarHBondContact O-N 3.2Å; L235-T238 PolarHBondContact O-OG1 2.71Å; L235-R239 VanDerWaalsContact C-NH1 3.35Å; L235-R239 WeakPolarHBondContact O-CG 3.31Å; L235-R239 PolarHBondContact O-N 3.21Å; L235-R239 VanDerWaalsContact O-N 3.17Å; L235-R239 PolarHBondContact O-NH1 3.05Å; L235-V493 HydrophobicContact CD1-CG1 3.87Å; L235-V493 HydrophobicContact CD2-CB 4.38Å; L235-V493 HydrophobicContact CD2-CG1 4.13Å; L235-V493 WeakPolarHBondContact CD2-O 3.5Å; L235-V493 HydrophobicContact CG-CG1 4.11Å; L235-P494 WeakPolarHBondContact CD1-O 2.99Å; L235-Q495 HydrophobicContact CD2-CG 4.38Å; L235-Q495 PolarHBondContact O-NE2 2.98Å; L235-Q495 VanDerWaalsContact O-NE2 3.15Å
236	S	98.5	Very high	97.8	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.007	13%	0.129	C	C	.	.	H	α-helix	trans	-64.1	-39	178.2	-176.3	0	0	0	0	113.4	E151 E232 M233 L234 R239 K240 Y466	E151-S236 WeakPolarHBondContact OE1-CB 3.12Å; E151-S236 PolarHBondContact OE1-OG 3.19Å; E232-S236 WeakPolarHBondContact O-CB 3.33Å; E232-S236 PolarHBondContact O-N 3.12Å; M233-S236 PolarHBondContact O-N 3.11Å; L234-S236 VanDerWaalsContact C-N 3.31Å; L234-S236 PolarHBondContact O-N 3.18Å; S236-R239 VanDerWaalsContact CA-NH2 3.27Å; S236-K240 WeakPolarHBondContact O-CD 3.46Å; S236-K240 WeakPolarHBondContact O-CG 3.31Å; S236-K240 PolarHBondContact O-NZ 2.91Å; S236-K240 PolarHBondContact OG-NZ 3.4Å; S236-Y466 PolarHBondContact OG-OH 3.5Å
237	L	98.8	Very high	98	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-68.3	-47.1	175.5	-176.7	65.1	0	0	0	111.5	W163 M233 L234 R239 K240 V241 V243 Y466 H470 L473	W163-L237 HydrophobicContact CH2-CD1 3.82Å; W163-L237 HydrophobicContact CZ2-CD1 3.93Å; M233-L237 HydrophobicContact CE-CB 4.18Å; M233-L237 WeakPolarHBondContact O-CB 3.41Å; M233-L237 PolarHBondContact O-N 2.86Å; L234-L237 PolarHBondContact O-N 2.82Å; L237-R239 PolarHBondContact O-N 3.24Å; L237-K240 WeakPolarHBondContact O-CB 3.44Å; L237-K240 PolarHBondContact O-N 2.98Å; L237-V241 HydrophobicContact CD1-CG1 3.75Å; L237-V241 HydrophobicContact CG-CG1 4.18Å; L237-V241 PolarHBondContact O-N 3.32Å; L237-V241 VanDerWaalsContact O-N 3.08Å; L237-V243 HydrophobicContact CD2-CG2 3.96Å; L237-V243 HydrophobicContact CG-CG2 3.94Å; L237-Y466 HydrophobicContact CD1-CD1 3.92Å; L237-H470 HydrophobicContact CD1-CB 4.29Å; L237-H470 HydrophobicContact CD2-CB 4.49Å; L237-L473 HydrophobicContact CD2-CD1 3.72Å
238	T	98.5	Very high	98.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-65.8	-21.7	-178.3	49.4	0	0	0	0	113.8	P156 I210 N213 V215 L234 L235 K240 V243 Q495	P156-T238 WeakPolarHBondContact CB-O 3.33Å; I210-T238 HydrophobicContact CG2-CG2 4.31Å; N213-T238 PolarHBondContact ND2-O 3.23Å; V215-T238 HydrophobicContact CG2-CG2 4.08Å; L234-T238 WeakPolarHBondContact O-CB 3.34Å; L234-T238 WeakPolarHBondContact O-CG2 3.49Å; L234-T238 PolarHBondContact O-N 2.74Å; L234-T238 PolarHBondContact O-OG1 2.94Å; L235-T238 WeakPolarHBondContact CA-OG1 3.14Å; L235-T238 PolarHBondContact O-N 3.2Å; L235-T238 PolarHBondContact O-OG1 2.71Å; T238-K240 VanDerWaalsContact C-N 3.33Å; T238-V243 HydrophobicContact CG2-CB 4.32Å; T238-V243 HydrophobicContact CG2-CG2 3.87Å; T238-Q495 PolarHBondContact OG1-NE2 2.66Å
239	R	97.7	Very high	98.2	Very high	13 Å²	13	17.3 Å²	17.3	5%	0.049	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-21.6	168.9	-72.8	-171.6	-60.4	-88.1	4.9	113.9	E151 D154 C155 P156 L235 S236 L237	E151-R239 PolarHBondContact O-NE 3.33Å; E151-R239 IonicContact OE1-CZ 3.84Å; E151-R239 IonicContact OE1-NH2 3.37Å; E151-R239 PolarHBondContact OE1-NH2 2.92Å; D154-R239 HydrophobicContact CB-CG 4.2Å; C155-R239 CarbonylContact C-O 3.47Å; C155-R239 PolarHBondContact N-O 3.42Å; P156-R239 VanDerWaalsContact CA-O 3.31Å; P156-R239 WeakPolarHBondContact CA-O 3.36Å; P156-R239 VanDerWaalsContact N-O 3.1Å; L235-R239 VanDerWaalsContact C-NH1 3.35Å; L235-R239 WeakPolarHBondContact O-CG 3.31Å; L235-R239 PolarHBondContact O-N 3.21Å; L235-R239 VanDerWaalsContact O-N 3.17Å; L235-R239 PolarHBondContact O-NH1 3.05Å; S236-R239 VanDerWaalsContact CA-NH2 3.27Å; L237-R239 PolarHBondContact O-N 3.24Å
240	K	97.5	Very high	98.3	Very high	1 Å²	1	16.2 Å²	16.2	0%	0.004	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-34.6	-170.8	-67.5	174.4	178.7	70.8	0	113.1	V57 E151 E157 S236 L237 T238 Y466 R507	V57-K240 HydrophobicContact CB-CG 4.23Å; V57-K240 HydrophobicContact CG1-CG 4.08Å; V57-K240 VanDerWaalsContact O-CD 3.28Å; V57-K240 WeakPolarHBondContact O-CD 2.84Å; V57-K240 WeakPolarHBondContact O-CE 3.11Å; E151-K240 IonicContact OE1-NZ 2.82Å; E151-K240 PolarHBondContact OE1-NZ 2.93Å; E151-K240 WeakPolarHBondContact OE2-CE 3.43Å; E151-K240 IonicContact OE2-NZ 2.94Å; E151-K240 PolarHBondContact OE2-NZ 3.19Å; E157-K240 PolarHBondContact N-O 3.35Å; S236-K240 WeakPolarHBondContact O-CD 3.46Å; S236-K240 WeakPolarHBondContact O-CG 3.31Å; S236-K240 PolarHBondContact O-NZ 2.91Å; S236-K240 PolarHBondContact OG-NZ 3.4Å; L237-K240 WeakPolarHBondContact O-CB 3.44Å; L237-K240 PolarHBondContact O-N 2.98Å; T238-K240 VanDerWaalsContact C-N 3.33Å; K240-Y466 HydrophobicContact CD-CD1 3.86Å; K240-Y466 HydrophobicContact CD-CE1 3.5Å; K240-Y466 VanDerWaalsContact CD-CE1 3.5Å; K240-Y466 PolarHBondContact NZ-OH 3.04Å; K240-R507 PolarHBondContact O-NH1 3.48Å
241	V	98	Very high	98.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.079	C	C	.	.	B	Isolated β-bridge	trans	-149.1	144.8	-177.5	62.4	0	0	0	0	109.8	E157 A160 W163 N213 L237 V243	E157-V241 WeakPolarHBondContact O-CA 3.35Å; A160-V241 HydrophobicContact CB-CG2 3.98Å; W163-V241 HydrophobicContact CB-CB 4.22Å; W163-V241 HydrophobicContact CB-CG2 3.84Å; W163-V241 HydrophobicContact CD2-CB 3.7Å; W163-V241 HydrophobicContact CD2-CG1 3.92Å; W163-V241 HydrophobicContact CD2-CG2 3.96Å; W163-V241 HydrophobicContact CE3-CB 4.24Å; W163-V241 HydrophobicContact CE3-CG1 4.14Å; W163-V241 HydrophobicContact CE3-CG2 4.18Å; W163-V241 HydrophobicContact CG-CB 3.68Å; W163-V241 HydrophobicContact CG-CG1 4.43Å; W163-V241 HydrophobicContact CG-CG2 3.82Å; W163-V241 HydrophobicContact CH2-CG1 4.22Å; W163-V241 HydrophobicContact CZ2-CG1 4Å; W163-V241 HydrophobicContact CZ3-CG1 4.3Å; N213-V241 PolarHBondContact OD1-O 3.33Å; L237-V241 HydrophobicContact CD1-CG1 3.75Å; L237-V241 HydrophobicContact CG-CG1 4.18Å; L237-V241 PolarHBondContact O-N 3.32Å; L237-V241 VanDerWaalsContact O-N 3.08Å; V241-V243 PolarHBondContact O-N 3.43Å
242	R	97.8	Very high	98.1	Very high	113 Å²	113	15.9 Å²	15.9	43%	0.426	8%	0.076	S	C	.	.			trans	-66.4	115	170.6	-76	-71.1	-177.1	165.8	-3	109.3	P156 E157 D212 N213	P156-R242 HydrophobicContact CB-CG 4.35Å; P156-R242 HydrophobicContact CG-CG 4.5Å; E157-R242 PolarHBondContact O-N 2.98Å; D212-R242 IonicContact OD1-NH1 3.31Å; N213-R242 VanDerWaalsContact CB-NH1 3.27Å; N213-R242 WeakPolarHBondContact OD1-CA 3.17Å
243	V	98.1	Very high	98	Very high	7 Å²	7	14.1 Å²	14.1	4%	0.042	7%	0.074	C	C	.	.	P	Polyproline II helix	trans	-87.2	137.5	174.8	-177.4	0	0	0	0	108.6	I210 N213 L237 T238 V241 L473	I210-V243 HydrophobicContact CD1-CB 4.47Å; I210-V243 HydrophobicContact CD1-CG1 3.8Å; I210-V243 HydrophobicContact CG2-CB 4.23Å; I210-V243 HydrophobicContact CG2-CG1 4.3Å; N213-V243 PolarHBondContact OD1-N 2.94Å; L237-V243 HydrophobicContact CD2-CG2 3.96Å; L237-V243 HydrophobicContact CG-CG2 3.94Å; T238-V243 HydrophobicContact CG2-CB 4.32Å; T238-V243 HydrophobicContact CG2-CG2 3.87Å; V241-V243 PolarHBondContact O-N 3.43Å; V243-L473 HydrophobicContact CG1-CB 4.32Å; V243-L473 HydrophobicContact CG1-CD1 3.95Å
244	P	97.7	Very high	97.6	Very high	43 Å²	43	16.7 Å²	16.7	28%	0.279	9%	0.088	S	C	.	.	P	Polyproline II helix	trans	-60.1	155.8	175.6	26	-35.8	0	0	0	111.5	V246 L474 A477	P244-V246 PolarHBondContact O-N 3.42Å; P244-L474 HydrophobicContact CG-CD1 4.24Å; P244-A477 HydrophobicContact CB-CB 4.03Å; P244-A477 HydrophobicContact CG-CB 3.8Å
245	D	98.7	Very high	97.4	Very high	60 Å²	60	22.6 Å²	22.6	32%	0.321	11%	0.11	S	C	.	.	P	Polyproline II helix	trans	-57.5	124.1	169.8	-77	5.2	0	0	0	108.7	I210 V211 D212 P484	I210-D245 CarbonylContact O-C 3.54Å; I210-D245 WeakPolarHBondContact O-CA 3.34Å; V211-D245 WeakPolarHBondContact CA-OD1 3.22Å; D212-D245 PolarHBondContact N-OD1 2.91Å; D245-P484 HydrophobicContact CB-CB 4.28Å; D245-P484 HydrophobicContact CB-CG 4.25Å
246	V	98.8	Very high	97.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	141.5	-175.2	66.4	0	0	0	0	111.3	A209 I210 P244 F248 L473 Y476 A477 Q480	A209-V246 CarbonylContact C-O 3.56Å; A209-V246 WeakPolarHBondContact CA-O 3.35Å; I210-V246 HydrophobicContact CB-CG1 4.04Å; I210-V246 HydrophobicContact CD1-CG1 4.13Å; I210-V246 HydrophobicContact CG1-CG1 4.29Å; I210-V246 PolarHBondContact N-O 2.88Å; I210-V246 PolarHBondContact O-N 3.23Å; P244-V246 PolarHBondContact O-N 3.42Å; V246-F248 HydrophobicContact CG1-CD1 4.02Å; V246-F248 HydrophobicContact CG1-CE1 3.83Å; V246-F248 HydrophobicContact CG2-CD1 4.01Å; V246-L473 HydrophobicContact CG1-CD2 4.29Å; V246-Y476 HydrophobicContact CG2-CD1 3.94Å; V246-Y476 HydrophobicContact CG2-CG 4.35Å; V246-A477 HydrophobicContact CB-CB 4Å; V246-A477 HydrophobicContact CG2-CB 3.96Å; V246-Q480 VanDerWaalsContact CA-OE1 3.29Å
247	E	98.6	Very high	97.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	126.6	178.9	175.7	176	174.6	0	0	111	L188 R192 H207 Y208 A209 Y476 Q480 P484 T485 Q487	L188-E247 HydrophobicContact CD2-CB 3.97Å; L188-E247 HydrophobicContact CD2-CG 4.16Å; R192-E247 WeakPolarHBondContact CG-OE1 3.39Å; R192-E247 IonicContact CZ-OE1 3.66Å; R192-E247 IonicContact CZ-OE2 2.85Å; R192-E247 IonicContact NE-OE1 2.77Å; R192-E247 PolarHBondContact NE-OE1 2.95Å; R192-E247 IonicContact NE-OE2 2.63Å; R192-E247 PolarHBondContact NE-OE2 3.08Å; R192-E247 IonicContact NH2-OE1 3.52Å; R192-E247 IonicContact NH2-OE2 3.19Å; R192-E247 PolarHBondContact NH2-OE2 3.21Å; H207-E247 IonicContact CE1-OE1 2.71Å; H207-E247 PolarHBondContact CE1-OE1 3.14Å; H207-E247 VanDerWaalsContact NE2-CG 3.3Å; H207-E247 WeakPolarHBondContact NE2-CG 3.41Å; H207-E247 IonicContact NE2-OE1 3.78Å; H207-E247 PolarHBondContact NE2-OE1 3.39Å; H207-E247 VanDerWaalsContact NE2-OE1 3.12Å; Y208-E247 WeakPolarHBondContact O-CA 3.22Å; A209-E247 HydrophobicContact CB-CB 4.26Å; A209-E247 HydrophobicContact CB-CG 4.3Å; E247-Y476 VanDerWaalsContact O-CE1 3.27Å; E247-Y476 WeakPolarHBondContact O-CE1 3.37Å; E247-Q480 PolarHBondContact O-NE2 3.48Å; E247-P484 HydrophobicContact CB-CB 3.93Å; E247-T485 PolarHBondContact OE2-N 2.89Å; E247-T485 VanDerWaalsContact OE2-N 3.07Å; E247-Q487 PolarHBondContact OE1-NE2 2.97Å
248	F	98.8	Very high	97	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	166.7	-167.6	57.8	-94.4	0	0	0	112.2	H207 Y208 I210 L234 V246 I250 L268 L473 Y476	H207-F248 PolarHBondContact CD2-O 2.86Å; Y208-F248 AromaticContact CD2-CE2 3.95Å; Y208-F248 HydrophobicContact CD2-CE2 3.95Å; Y208-F248 AromaticContact CG-CE2 3.97Å; Y208-F248 HydrophobicContact CG-CE2 3.97Å; Y208-F248 HydrophobicContact CG-CZ 4.26Å; Y208-F248 PolarHBondContact N-O 2.98Å; Y208-F248 PolarHBondContact O-N 2.85Å; I210-F248 HydrophobicContact CD1-CE1 4.29Å; I210-F248 HydrophobicContact CG1-CE1 4.43Å; L234-F248 HydrophobicContact CD1-CE2 4.46Å; L234-F248 HydrophobicContact CD1-CZ 3.97Å; L234-F248 HydrophobicContact CD2-CZ 4.29Å; V246-F248 HydrophobicContact CG1-CD1 4.02Å; V246-F248 HydrophobicContact CG1-CE1 3.83Å; V246-F248 HydrophobicContact CG2-CD1 4.01Å; F248-I250 HydrophobicContact CD2-CD1 4.35Å; F248-I250 HydrophobicContact CD2-CG1 3.84Å; F248-I250 HydrophobicContact CE2-CD1 3.66Å; F248-I250 HydrophobicContact CE2-CG1 3.66Å; F248-L268 HydrophobicContact CB-CD1 4.26Å; F248-L268 HydrophobicContact CD2-CD1 3.42Å; F248-L268 VanDerWaalsContact CD2-CD1 3.42Å; F248-L268 HydrophobicContact CE2-CD1 3.91Å; F248-L268 HydrophobicContact CG-CD1 3.91Å; F248-L473 HydrophobicContact CD1-CD2 3.96Å; F248-L473 HydrophobicContact CE1-CD2 3.41Å; F248-L473 VanDerWaalsContact CE1-CD2 3.41Å; F248-L473 HydrophobicContact CE2-CD2 4.49Å; F248-L473 HydrophobicContact CZ-CD2 3.71Å; F248-Y476 HydrophobicContact CB-CD1 4.16Å; F248-Y476 HydrophobicContact CB-CD2 4.42Å; F248-Y476 HydrophobicContact CB-CE1 3.7Å; F248-Y476 HydrophobicContact CB-CE2 3.99Å; F248-Y476 HydrophobicContact CB-CG 4.5Å
249	F	98.5	Very high	96.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	133.6	175.3	-70.1	-102.2	0	0	0	111	L191 V195 P196 L205 V206 H207 L220 L268	L191-F249 HydrophobicContact CD1-CD2 4.4Å; L191-F249 HydrophobicContact CD2-CD2 4.03Å; L191-F249 HydrophobicContact CD2-CE2 4.12Å; L191-F249 HydrophobicContact CG-CD2 3.92Å; L191-F249 HydrophobicContact CG-CE2 3.83Å; V195-F249 HydrophobicContact CB-CD1 4.15Å; V195-F249 HydrophobicContact CB-CD2 3.96Å; V195-F249 HydrophobicContact CB-CE1 4.06Å; V195-F249 HydrophobicContact CB-CE2 3.93Å; V195-F249 HydrophobicContact CB-CG 4.08Å; V195-F249 HydrophobicContact CB-CZ 3.97Å; V195-F249 HydrophobicContact CG1-CB 3.86Å; V195-F249 HydrophobicContact CG1-CD1 3.41Å; V195-F249 VanDerWaalsContact CG1-CD1 3.41Å; V195-F249 HydrophobicContact CG1-CD2 3.84Å; V195-F249 HydrophobicContact CG1-CE1 3.76Å; V195-F249 HydrophobicContact CG1-CE2 4.2Å; V195-F249 HydrophobicContact CG1-CG 3.43Å; V195-F249 VanDerWaalsContact CG1-CG 3.43Å; V195-F249 HydrophobicContact CG1-CZ 4.15Å; V195-F249 HydrophobicContact CG2-CD2 4.08Å; V195-F249 HydrophobicContact CG2-CE2 4.26Å; V195-F249 HydrophobicContact CG2-CG 4.46Å; P196-F249 HydrophobicContact CG-CE1 3.99Å; P196-F249 HydrophobicContact CG-CZ 4.04Å; L205-F249 HydrophobicContact CD1-CB 4.12Å; L205-F249 HydrophobicContact CD1-CD1 4.14Å; L205-F249 HydrophobicContact CD2-CD1 4.12Å; L205-F249 HydrophobicContact CG-CD1 4.06Å; V206-F249 CarbonylContact O-C 3.52Å; V206-F249 WeakPolarHBondContact O-CA 3.49Å; H207-F249 HydrophobicContact CB-CD1 3.75Å; H207-F249 HydrophobicContact CB-CE1 3.49Å; H207-F249 VanDerWaalsContact CB-CE1 3.49Å; H207-F249 HydrophobicContact CB-CG 4.5Å; H207-F249 HydrophobicContact CB-CZ 3.99Å; H207-F249 AromaticContact CD2-CD1 4Å; H207-F249 AromaticContact CD2-CD2 3.67Å; H207-F249 AromaticContact CD2-CE1 3.7Å; H207-F249 AromaticContact CD2-CE2 3.3Å; H207-F249 WeakPolarHBondContact CD2-CE2 3.47Å; H207-F249 AromaticContact CD2-CZ 3.33Å; H207-F249 WeakPolarHBondContact CD2-CZ 3.35Å; H207-F249 AromaticContact CE1-CZ 3.92Å; H207-F249 AromaticContact CG-CE1 3.55Å; H207-F249 AromaticContact CG-CE2 3.96Å; H207-F249 AromaticContact CG-CZ 3.48Å; H207-F249 VanDerWaalsContact CG-CZ 3.48Å; H207-F249 AromaticContact ND1-CZ 3.85Å; H207-F249 AromaticContact NE2-CE2 3.46Å; H207-F249 WeakPolarHBondContact NE2-CE2 3.41Å; H207-F249 AromaticContact NE2-CZ 3.62Å; L220-F249 HydrophobicContact CD1-CD1 4.28Å; L220-F249 HydrophobicContact CD1-CE1 3.65Å; F249-L268 WeakPolarHBondContact O-CB 3.42Å; F249-L268 PolarHBondContact O-N 2.91Å
250	I	98.3	Very high	96.8	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	125.3	169.8	-58.6	-177.2	0	0	0	109	V206 Y208 F248 V252 L268 L281	V206-I250 PolarHBondContact N-O 3.11Å; V206-I250 PolarHBondContact O-N 2.77Å; Y208-I250 HydrophobicContact CD2-CB 4.37Å; Y208-I250 HydrophobicContact CD2-CD1 3.94Å; Y208-I250 HydrophobicContact CD2-CG1 4.02Å; Y208-I250 HydrophobicContact CE2-CB 4.26Å; Y208-I250 HydrophobicContact CE2-CD1 3.87Å; Y208-I250 HydrophobicContact CE2-CG1 4.21Å; F248-I250 HydrophobicContact CD2-CD1 4.35Å; F248-I250 HydrophobicContact CD2-CG1 3.84Å; F248-I250 HydrophobicContact CE2-CD1 3.66Å; F248-I250 HydrophobicContact CE2-CG1 3.66Å; I250-V252 HydrophobicContact CG2-CG1 3.84Å; I250-L268 CarbonylContact C-O 3.57Å; I250-L268 WeakPolarHBondContact CA-O 3.45Å; I250-L268 HydrophobicContact CG1-CB 3.97Å; I250-L268 HydrophobicContact CG1-CD1 4.03Å; I250-L281 HydrophobicContact CD1-CD1 4.08Å; I250-L281 HydrophobicContact CG1-CD1 4.42Å
251	N	97.5	Very high	96.5	Very high	5 Å²	5	38 Å²	38	3%	0.027	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	117.9	160	168.1	38	0	0	0	109.2	G204 G253 W255 L257 I267 L268 S269	G204-N251 PolarHBondContact O-OD1 2.94Å; N251-G253 PolarHBondContact OD1-N 3.09Å; N251-W255 PolarHBondContact ND2-O 3.39Å; N251-L257 HydrophobicContact CB-CD1 3.71Å; N251-L257 HydrophobicContact CB-CG 4.16Å; N251-I267 HydrophobicContact CB-CG2 3.86Å; N251-L268 PolarHBondContact N-O 2.91Å; N251-S269 WeakPolarHBondContact CB-OG 3.3Å; N251-S269 PolarHBondContact ND2-OG 3.2Å
252	V	96	Very high	96.2	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.03	23%	0.23	C	C	.	.			trans	-100.7	7.5	178.5	-59.3	0	0	0	0	113	G204 V206 F226 I250	G204-V252 WeakPolarHBondContact O-CG2 3.45Å; G204-V252 PolarHBondContact O-N 3.43Å; V206-V252 HydrophobicContact CG2-CG1 4.04Å; V206-V252 HydrophobicContact CG2-CG2 4.23Å; F226-V252 HydrophobicContact CB-CB 3.94Å; F226-V252 HydrophobicContact CB-CG2 4.34Å; I250-V252 HydrophobicContact CG2-CG1 3.84Å
253	G	93.7	Very high	96	Very high	23 Å²	23	43 Å²	43	24%	0.237	23%	0.233	C	C	.	.	S	Bend	trans	-85.5	171.8	169	0	0	0	0	0	113.1	N251	N251-G253 PolarHBondContact OD1-N 3.09Å
254	D	91.5	Very high	95.9	Very high	55 Å²	55	43.5 Å²	43.5	29%	0.294	24%	0.238	S	C	.	.	S	Bend	trans	-69.2	-45.9	-178.9	-70.5	-3.2	0	0	0	112.7	T384 V385	D254-T384 HydrophobicContact CB-CG2 4.06Å; D254-V385 HydrophobicContact CB-CG1 4.41Å; D254-V385 HydrophobicContact CB-CG2 4.25Å; D254-V385 VanDerWaalsContact O-CG1 3.32Å; D254-V385 WeakPolarHBondContact O-CG1 3.2Å
255	W	94.5	Very high	95.9	Very high	128 Å²	128	41.6 Å²	41.6	49%	0.485	23%	0.226	S	C	.	.	S	Bend	trans	-81.1	133.3	-171.3	-60.3	98.5	0	0	0	111.9	N251 T384 V385 Y407	N251-W255 PolarHBondContact ND2-O 3.39Å; W255-T384 HydrophobicContact CD2-CG2 4.02Å; W255-T384 HydrophobicContact CH2-CG2 4Å; W255-T384 WeakPolarHBondContact CH2-O 3.38Å; W255-T384 HydrophobicContact CZ2-CG2 3.24Å; W255-T384 WeakPolarHBondContact CZ3-O 3.17Å; W255-T384 VanDerWaalsContact NE1-CG2 3.31Å; W255-V385 HydrophobicContact CD2-CG1 4.05Å; W255-V385 HydrophobicContact CE3-CG1 3.7Å; W255-V385 HydrophobicContact CG-CG1 4.48Å; W255-V385 HydrophobicContact CZ3-CG1 4.17Å; W255-Y407 HydrophobicContact CE3-CE1 4.26Å; W255-Y407 HydrophobicContact CZ3-CE1 4.32Å; W255-Y407 HydrophobicContact CZ3-CE2 4.41Å; W255-Y407 AromaticContact CZ3-CZ 3.73Å; W255-Y407 VanDerWaalsContact CZ3-OH 3.24Å; W255-Y407 WeakPolarHBondContact CZ3-OH 3.41Å
256	P	95.9	Very high	95.9	Very high	15 Å²	15	39 Å²	39	10%	0.097	21%	0.212	C	C	.	.			trans	-61.7	153.5	165.6	25.6	-31.5	0	0	0	111.1	C271 T276 D278 Y407	P256-C271 WeakPolarHBondContact CB-O 3.4Å; P256-T276 HydrophobicContact CB-CG2 3.82Å; P256-T276 HydrophobicContact CG-CG2 3.85Å; P256-D278 HydrophobicContact CB-CB 4.19Å; P256-Y407 HydrophobicContact CG-CE1 4.26Å
257	L	95.4	Very high	95.8	Very high	15 Å²	15	39 Å²	39	8%	0.079	21%	0.212	C	C	.	.			trans	-112.4	-40.3	-163.8	-62.3	-174.6	0	0	0	115.3	F199 R202 N251 T259 I267 D278	F199-L257 HydrophobicContact CB-CD1 4.16Å; F199-L257 HydrophobicContact CD1-CB 3.81Å; F199-L257 HydrophobicContact CD1-CD1 4.05Å; F199-L257 HydrophobicContact CD1-CG 4.44Å; F199-L257 HydrophobicContact CE1-CB 3.85Å; F199-L257 HydrophobicContact CG-CD1 4.26Å; R202-L257 HydrophobicContact CB-CD2 4.39Å; N251-L257 HydrophobicContact CB-CD1 3.71Å; N251-L257 HydrophobicContact CB-CG 4.16Å; L257-T259 PolarHBondContact O-N 3.26Å; L257-I267 HydrophobicContact CB-CD1 4.27Å; L257-I267 HydrophobicContact CD1-CD1 4.37Å; L257-I267 HydrophobicContact CD1-CG2 4.47Å; L257-D278 VanDerWaalsContact N-CG 3.3Å; L257-D278 PolarHBondContact N-OD1 2.8Å; L257-D278 PolarHBondContact N-OD2 3.49Å
258	E	96.4	Very high	95.8	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.009	21%	0.212	C	C	.	.			trans	-91	94.8	-165.9	-177.7	56.3	-85.2	0	0	111.1	R198 F199 R260 A264 L265 T276 R277 D278	R198-E258 IonicContact NH1-OE2 3.94Å; F199-E258 HydrophobicContact CZ-CB 4.48Å; E258-R260 WeakPolarHBondContact OE1-CB 3.49Å; E258-R260 VanDerWaalsContact OE1-CG 3.32Å; E258-R260 WeakPolarHBondContact OE1-CG 3.4Å; E258-R260 PolarHBondContact OE1-N 3.09Å; E258-A264 HydrophobicContact CG-CB 3.88Å; E258-L265 PolarHBondContact OE2-N 2.82Å; E258-T276 CarbonylContact O-C 3.53Å; E258-T276 WeakPolarHBondContact O-CA 3.4Å; E258-R277 HydrophobicContact CG-CB 4.18Å; E258-R277 PolarHBondContact O-N 2.97Å; E258-D278 PolarHBondContact N-OD2 3.49Å
259	T	96	Very high	95.8	Very high	90 Å²	90	39.1 Å²	39.1	55%	0.552	21%	0.212	S	C	*	.			trans	-91.1	-5.8	179.7	59.6	0	0	0	0	113.6	L257 T276	L257-T259 PolarHBondContact O-N 3.26Å; T259-T276 HydrophobicContact CG2-CG2 4.04Å
260	R	95	Very high	95.7	Very high	125 Å²	125	39.1 Å²	39.1	47%	0.472	21%	0.212	S	C	.	.			trans	-77.3	147.1	-179	-60.9	179.5	178	-166.3	-0	110.8	E258 A264 R277	E258-R260 WeakPolarHBondContact OE1-CB 3.49Å; E258-R260 VanDerWaalsContact OE1-CG 3.32Å; E258-R260 WeakPolarHBondContact OE1-CG 3.4Å; E258-R260 PolarHBondContact OE1-N 3.09Å; R260-A264 WeakPolarHBondContact O-CB 3.38Å; R260-R277 WeakPolarHBondContact O-CG 3.45Å
261	T	91.4	Very high	95.7	Very high	110 Å²	110	39 Å²	39	68%	0.675	21%	0.212	S	C	*	.	S	Bend	trans	-93.4	-46.3	169.6	50.1	0	0	0	0	111
262	E	91.3	Very high	95.7	Very high	170 Å²	170	38.8 Å²	38.8	79%	0.794	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.4	133.4	175.9	-66.1	-177.2	-177.5	0	0	110.9	A264	E262-A264 PolarHBondContact O-N 3Å
263	G	93.3	Very high	95.7	Very high	48 Å²	48	38.6 Å²	38.6	50%	0.495	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	28.8	-177.2	0	0	0	0	0	113.4	R198	R198-G263 PolarHBondContact NH1-O 2.78Å
264	A	97	Very high	95.9	Very high	17 Å²	17	42.3 Å²	42.3	14%	0.14	23%	0.228	C	C	.	.			trans	-61.2	148.6	173.4	0	0	0	0	0	110.8	F183 E258 R260 E262 R277	F183-A264 HydrophobicContact CE1-CB 3.87Å; F183-A264 HydrophobicContact CZ-CB 4.27Å; E258-A264 HydrophobicContact CG-CB 3.88Å; R260-A264 WeakPolarHBondContact O-CB 3.38Å; E262-A264 PolarHBondContact O-N 3Å; A264-R277 HydrophobicContact CB-CB 4.41Å; A264-R277 HydrophobicContact CB-CG 4.44Å
265	L	97.7	Very high	96.1	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.021	24%	0.238	C	C	.	.			trans	-113.9	137.7	178.8	-64.2	163.9	0	0	0	111.4	L191 E194 V195 F199 E258 I267	L191-L265 HydrophobicContact CD1-CD2 4.45Å; E194-L265 HydrophobicContact CB-CD1 3.51Å; E194-L265 HydrophobicContact CB-CD2 4.26Å; V195-L265 HydrophobicContact CG2-CB 3.94Å; V195-L265 HydrophobicContact CG2-CD1 3.78Å; V195-L265 HydrophobicContact CG2-CD2 4.46Å; V195-L265 HydrophobicContact CG2-CG 4.27Å; F199-L265 HydrophobicContact CE2-CD1 4.12Å; E258-L265 PolarHBondContact OE2-N 2.82Å; L265-I267 PolarHBondContact O-N 3.34Å
266	P	97.8	Very high	96.2	Very high	6 Å²	6	38.6 Å²	38.6	4%	0.039	22%	0.218	C	C	.	.			trans	-76.9	87.1	-176.9	29.8	-34.9	0	0	0	111.5	F183 I186 L191 I279 Y476	F183-P266 HydrophobicContact CB-CB 4.39Å; F183-P266 HydrophobicContact CD1-CB 3.89Å; F183-P266 HydrophobicContact CD1-CG 4.22Å; F183-P266 HydrophobicContact CD2-CB 3.91Å; F183-P266 HydrophobicContact CE1-CB 4.09Å; F183-P266 HydrophobicContact CE2-CB 4.11Å; F183-P266 HydrophobicContact CG-CB 3.79Å; F183-P266 HydrophobicContact CG-CG 4.44Å; F183-P266 HydrophobicContact CZ-CB 4.19Å; I186-P266 HydrophobicContact CB-CG 4.47Å; I186-P266 HydrophobicContact CD1-CB 4.13Å; I186-P266 HydrophobicContact CD1-CG 3.84Å; I186-P266 HydrophobicContact CG1-CG 3.94Å; I186-P266 HydrophobicContact CG2-CG 3.79Å; L191-P266 HydrophobicContact CD1-CG 3.89Å; P266-I279 HydrophobicContact CB-CD1 3.64Å; P266-Y476 HydrophobicContact CB-CE2 3.85Å; P266-Y476 HydrophobicContact CG-CE2 4.26Å; P266-Y476 WeakPolarHBondContact CG-OH 3.26Å; P266-Y476 WeakPolarHBondContact O-CE2 3.46Å; P266-Y476 PolarHBondContact O-OH 3.29Å
267	I	98.1	Very high	96.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	131.4	176	-58.9	175.2	0	0	0	109.3	V195 F199 N251 L257 L265 D278 I279	V195-I267 HydrophobicContact CG1-CD1 4.33Å; V195-I267 HydrophobicContact CG1-CG1 4.43Å; F199-I267 HydrophobicContact CD1-CD1 4.25Å; F199-I267 HydrophobicContact CD2-CD1 3.38Å; F199-I267 HydrophobicContact CE1-CD1 4.23Å; F199-I267 HydrophobicContact CE2-CD1 3.35Å; F199-I267 HydrophobicContact CG-CD1 3.85Å; F199-I267 HydrophobicContact CZ-CD1 3.8Å; N251-I267 HydrophobicContact CB-CG2 3.86Å; L257-I267 HydrophobicContact CB-CD1 4.27Å; L257-I267 HydrophobicContact CD1-CD1 4.37Å; L257-I267 HydrophobicContact CD1-CG2 4.47Å; L265-I267 PolarHBondContact O-N 3.34Å; I267-D278 CarbonylContact O-C 3.53Å; I267-D278 WeakPolarHBondContact O-CA 3.18Å; I267-I279 PolarHBondContact O-N 3.25Å
268	L	98.6	Very high	96.4	Very high	1 Å²	1	42 Å²	42	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	131.4	171.9	-64.3	171.1	0	0	0	110.1	F248 F249 I250 N251 I279 L281 V472	F248-L268 HydrophobicContact CB-CD1 4.26Å; F248-L268 HydrophobicContact CD2-CD1 3.42Å; F248-L268 VanDerWaalsContact CD2-CD1 3.42Å; F248-L268 HydrophobicContact CE2-CD1 3.91Å; F248-L268 HydrophobicContact CG-CD1 3.91Å; F249-L268 WeakPolarHBondContact O-CB 3.42Å; F249-L268 PolarHBondContact O-N 2.91Å; I250-L268 CarbonylContact C-O 3.57Å; I250-L268 WeakPolarHBondContact CA-O 3.45Å; I250-L268 HydrophobicContact CG1-CB 3.97Å; I250-L268 HydrophobicContact CG1-CD1 4.03Å; N251-L268 PolarHBondContact N-O 2.91Å; L268-I279 CarbonylContact C-O 3.4Å; L268-I279 VanDerWaalsContact CA-O 3.27Å; L268-I279 WeakPolarHBondContact CA-O 3.37Å; L268-I279 HydrophobicContact CD2-CB 3.71Å; L268-I279 HydrophobicContact CD2-CG2 3.49Å; L268-I279 VanDerWaalsContact CD2-CG2 3.49Å; L268-L281 HydrophobicContact CB-CD1 3.83Å; L268-L281 HydrophobicContact CB-CG 4.14Å; L268-L281 HydrophobicContact CD1-CD1 4.17Å; L268-L281 HydrophobicContact CD2-CD1 4.48Å; L268-L281 HydrophobicContact CD2-CD2 4.16Å; L268-L281 HydrophobicContact CD2-CG 4.13Å; L268-L281 HydrophobicContact CG-CD1 4.4Å; L268-V472 HydrophobicContact CD2-CG1 3.51Å
269	S	98.1	Very high	96.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	153.6	-178.8	-75.9	0	0	0	0	112.2	N251 C271 D278 I279 V280 L281	N251-S269 WeakPolarHBondContact CB-OG 3.3Å; N251-S269 PolarHBondContact ND2-OG 3.2Å; S269-C271 VanDerWaalsContact C-N 3.3Å; S269-C271 PolarHBondContact O-N 3.47Å; S269-D278 WeakPolarHBondContact CB-OD1 3.37Å; S269-D278 PolarHBondContact OG-OD1 2.79Å; S269-I279 PolarHBondContact N-O 2.85Å; S269-V280 WeakPolarHBondContact O-CA 3.36Å; S269-L281 PolarHBondContact O-N 2.83Å
270	W	96.9	Very high	96.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	-71.1	-23.7	175.8	-58.7	124.9	0	0	0	113.8	L281 P282 T283 Y284 Y469	W270-L281 HydrophobicContact CE3-CB 3.95Å; W270-L281 HydrophobicContact CZ3-CB 3.86Å; W270-L281 HydrophobicContact CZ3-CD1 4.19Å; W270-P282 WeakPolarHBondContact CZ3-O 3.49Å; W270-T283 WeakPolarHBondContact O-CG2 3.28Å; W270-Y284 AromaticContact CD1-CD1 3.85Å; W270-Y284 HydrophobicContact CG-CD1 4.09Å; W270-Y469 WeakPolarHBondContact CZ3-OH 3.46Å
271	C	97.1	Very high	96.8	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.007	18%	0.179	C	C	.	.	S	Bend	trans	-135.1	139	177.6	-174.7	0	0	0	0	109.3	P256 S269 V385 Y388 Y408	P256-C271 WeakPolarHBondContact CB-O 3.4Å; S269-C271 VanDerWaalsContact C-N 3.3Å; S269-C271 PolarHBondContact O-N 3.47Å; C271-V385 HydrophobicContact CB-CB 4.22Å; C271-V385 HydrophobicContact CB-CG2 3.98Å; C271-Y388 HydrophobicContact CB-CE1 4.35Å; C271-Y408 PolarHBondContact SG-O 3.01Å
272	G	97.3	Very high	97.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	166.2	169.8	0	0	0	0	0	111.7	V280 Y407 Y408	G272-V280 VanDerWaalsContact CA-CG2 3.4Å; G272-Y407 WeakPolarHBondContact O-CA 3.47Å; G272-Y408 PolarHBondContact N-O 3.2Å; G272-Y408 PolarHBondContact O-N 3.41Å
273	S	97.2	Very high	97.4	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.007	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	151.6	170.8	-175.1	0	0	0	0	111.4	D275 T276 Q406 Y408	S273-D275 PolarHBondContact O-N 3.18Å; S273-T276 PolarHBondContact N-OG1 3.24Å; S273-T276 PolarHBondContact O-N 2.97Å; S273-T276 PolarHBondContact O-OG1 3.01Å; S273-Q406 WeakPolarHBondContact CA-O 3.36Å; S273-Q406 WeakPolarHBondContact OG-CG 3.08Å; S273-Q406 PolarHBondContact OG-NE2 3.02Å; S273-Q406 VanDerWaalsContact OG-NE2 3.08Å; S273-Q406 PolarHBondContact OG-O 3.13Å; S273-Y408 VanDerWaalsContact C-CE1 3.44Å
274	T	96.6	Very high	97.6	Very high	100 Å²	100	17.8 Å²	17.8	61%	0.613	9%	0.092	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-18.4	173	57	0	0	0	0	113.8	Q406	T274-Q406 PolarHBondContact N-O 3.18Å; T274-Q406 VanDerWaalsContact N-O 3.09Å; T274-Q406 WeakPolarHBondContact OG1-CB 3.43Å
275	D	96.6	Very high	97.5	Very high	93 Å²	93	20.5 Å²	20.5	50%	0.497	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	4	-179.3	-54.5	-25.1	0	0	0	112.8	S273 Q406	S273-D275 PolarHBondContact O-N 3.18Å; D275-Q406 PolarHBondContact OD2-NE2 3.19Å
276	T	96.9	Very high	97.5	Very high	13 Å²	13	20.4 Å²	20.4	8%	0.08	10%	0.102	C	C	.	.			trans	-132.1	164.7	-174.1	59	0	0	0	0	112.2	P256 E258 T259 S273 D278	P256-T276 HydrophobicContact CB-CG2 3.82Å; P256-T276 HydrophobicContact CG-CG2 3.85Å; E258-T276 CarbonylContact O-C 3.53Å; E258-T276 WeakPolarHBondContact O-CA 3.4Å; T259-T276 HydrophobicContact CG2-CG2 4.04Å; S273-T276 PolarHBondContact N-OG1 3.24Å; S273-T276 PolarHBondContact O-N 2.97Å; S273-T276 PolarHBondContact O-OG1 3.01Å; T276-D278 WeakPolarHBondContact CB-OD2 3.34Å
277	R	97.4	Very high	97.4	Very high	100 Å²	100	20.1 Å²	20.1	38%	0.377	10%	0.1	S	C	.	.			trans	-117.7	14.8	179.8	-57.4	-59.7	175.7	133.1	-9	113.2	S182 F183 E258 R260 A264	S182-R277 PolarHBondContact OG-NH1 3.5Å; F183-R277 HydrophobicContact CE2-CB 4.46Å; F183-R277 WeakPolarHBondContact CE2-O 3.35Å; F183-R277 HydrophobicContact CZ-CB 3.94Å; F183-R277 WeakPolarHBondContact CZ-O 3.45Å; E258-R277 HydrophobicContact CG-CB 4.18Å; E258-R277 PolarHBondContact O-N 2.97Å; R260-R277 WeakPolarHBondContact O-CG 3.45Å; A264-R277 HydrophobicContact CB-CB 4.41Å; A264-R277 HydrophobicContact CB-CG 4.44Å
278	D	98.1	Very high	97.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.112	C	C	.	.	P	Polyproline II helix	trans	-59.2	139.9	173.8	-61.8	-124	0	0	0	110.9	P256 L257 E258 I267 S269 T276	P256-D278 HydrophobicContact CB-CB 4.19Å; L257-D278 VanDerWaalsContact N-CG 3.3Å; L257-D278 PolarHBondContact N-OD1 2.8Å; L257-D278 PolarHBondContact N-OD2 3.49Å; E258-D278 PolarHBondContact N-OD2 3.49Å; I267-D278 CarbonylContact O-C 3.53Å; I267-D278 WeakPolarHBondContact O-CA 3.18Å; S269-D278 WeakPolarHBondContact CB-OD1 3.37Å; S269-D278 PolarHBondContact OG-OD1 2.79Å; T276-D278 WeakPolarHBondContact CB-OD2 3.34Å
279	I	98.6	Very high	97.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	119.6	173	-62	156.1	0	0	0	107.6	D179 F180 F183 P266 I267 L268 S269 V472 Y476	D179-I279 HydrophobicContact CB-CB 4.18Å; D179-I279 HydrophobicContact CB-CG1 4.01Å; D179-I279 HydrophobicContact CB-CG2 4.08Å; F180-I279 HydrophobicContact CD1-CD1 4Å; F180-I279 HydrophobicContact CD2-CG2 4.45Å; F180-I279 HydrophobicContact CE1-CD1 3.57Å; F180-I279 HydrophobicContact CE2-CD1 4.3Å; F180-I279 HydrophobicContact CE2-CG2 3.87Å; F180-I279 HydrophobicContact CZ-CD1 3.75Å; F180-I279 HydrophobicContact CZ-CG2 4.19Å; F183-I279 HydrophobicContact CD2-CD1 4.05Å; F183-I279 HydrophobicContact CD2-CG1 4.24Å; F183-I279 HydrophobicContact CE2-CD1 4.24Å; F183-I279 HydrophobicContact CE2-CG1 4.11Å; P266-I279 HydrophobicContact CB-CD1 3.64Å; I267-I279 PolarHBondContact O-N 3.25Å; L268-I279 CarbonylContact C-O 3.4Å; L268-I279 VanDerWaalsContact CA-O 3.27Å; L268-I279 WeakPolarHBondContact CA-O 3.37Å; L268-I279 HydrophobicContact CD2-CB 3.71Å; L268-I279 HydrophobicContact CD2-CG2 3.49Å; L268-I279 VanDerWaalsContact CD2-CG2 3.49Å; S269-I279 PolarHBondContact N-O 2.85Å; I279-V472 HydrophobicContact CG2-CG1 4.05Å; I279-Y476 HydrophobicContact CD1-CD2 4.14Å; I279-Y476 HydrophobicContact CD1-CE2 4.03Å
280	V	98.3	Very high	97.3	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	127.4	-169.7	-178	0	0	0	0	111	D179 S269 G272 Y408 H410 Y468	D179-V280 PolarHBondContact OD2-N 3.33Å; S269-V280 WeakPolarHBondContact O-CA 3.36Å; G272-V280 VanDerWaalsContact CA-CG2 3.4Å; V280-Y408 HydrophobicContact CB-CE2 4.37Å; V280-Y408 HydrophobicContact CG2-CD2 4.09Å; V280-Y408 HydrophobicContact CG2-CE2 3.44Å; V280-Y408 VanDerWaalsContact CG2-CE2 3.44Å; V280-H410 HydrophobicContact CG1-CB 4.15Å; V280-Y468 VanDerWaalsContact O-CE1 3.22Å; V280-Y468 WeakPolarHBondContact O-CE1 3.35Å; V280-Y468 PolarHBondContact O-OH 2.81Å
281	L	98.4	Very high	97.2	Very high	3 Å²	3	23.4 Å²	23.4	2%	0.016	12%	0.116	C	C	.	.	P	Polyproline II helix	trans	-96.3	156.9	167.3	-69.3	177.6	0	0	0	111	I250 L268 S269 W270 T283 Y469 V472	I250-L281 HydrophobicContact CD1-CD1 4.08Å; I250-L281 HydrophobicContact CG1-CD1 4.42Å; L268-L281 HydrophobicContact CB-CD1 3.83Å; L268-L281 HydrophobicContact CB-CG 4.14Å; L268-L281 HydrophobicContact CD1-CD1 4.17Å; L268-L281 HydrophobicContact CD2-CD1 4.48Å; L268-L281 HydrophobicContact CD2-CD2 4.16Å; L268-L281 HydrophobicContact CD2-CG 4.13Å; L268-L281 HydrophobicContact CG-CD1 4.4Å; S269-L281 PolarHBondContact O-N 2.83Å; W270-L281 HydrophobicContact CE3-CB 3.95Å; W270-L281 HydrophobicContact CZ3-CB 3.86Å; W270-L281 HydrophobicContact CZ3-CD1 4.19Å; L281-T283 PolarHBondContact O-N 2.77Å; L281-Y469 HydrophobicContact CB-CE1 4.42Å; L281-Y469 HydrophobicContact CD1-CE1 4.02Å; L281-Y469 HydrophobicContact CD2-CD1 3.96Å; L281-Y469 HydrophobicContact CD2-CE1 3.93Å; L281-Y469 HydrophobicContact CG-CE1 4.36Å; L281-V472 HydrophobicContact CD2-CB 4.23Å; L281-V472 HydrophobicContact CD2-CG1 3.9Å; L281-V472 HydrophobicContact CD2-CG2 4.27Å
282	P	98.2	Very high	97.2	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.118	C	C	.	.	P	Polyproline II helix	trans	-55.3	131.5	166.1	-23.2	34.8	0	0	0	110.8	W270 V286 T287 H410 L465 Y468 Y469	W270-P282 WeakPolarHBondContact CZ3-O 3.49Å; P282-V286 HydrophobicContact CB-CG1 4.5Å; P282-T287 PolarHBondContact O-OG1 2.85Å; P282-H410 WeakPolarHBondContact CA-ND1 3.45Å; P282-L465 HydrophobicContact CB-CD1 3.22Å; P282-L465 HydrophobicContact CG-CD1 3.58Å; P282-Y468 HydrophobicContact CG-CD1 3.75Å; P282-Y468 HydrophobicContact CG-CE1 4.37Å; P282-Y468 HydrophobicContact CG-CG 4.23Å; P282-Y469 HydrophobicContact CB-CE2 3.89Å; P282-Y469 HydrophobicContact CG-CD2 3.93Å; P282-Y469 HydrophobicContact CG-CE2 3.65Å; P282-Y469 PolarHBondContact O-OH 3.34Å
283	T	97.6	Very high	97.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.119	C	C	.	.	P	Polyproline II helix	trans	-56	157	-172	53.4	0	0	0	0	112.9	W270 L281 E285 V286 T287 Y388 E409	W270-T283 WeakPolarHBondContact O-CG2 3.28Å; L281-T283 PolarHBondContact O-N 2.77Å; T283-E285 PolarHBondContact O-N 3.01Å; T283-V286 PolarHBondContact O-N 2.83Å; T283-V286 WeakPolarHBondContact OG1-CG2 3.48Å; T283-V286 PolarHBondContact OG1-N 3.46Å; T283-T287 WeakPolarHBondContact O-CB 3.25Å; T283-T287 PolarHBondContact O-N 3.15Å; T283-T287 PolarHBondContact O-OG1 2.91Å; T283-Y388 HydrophobicContact CG2-CD1 3.47Å; T283-Y388 VanDerWaalsContact CG2-CD1 3.47Å; T283-Y388 HydrophobicContact CG2-CD2 4.35Å; T283-Y388 HydrophobicContact CG2-CE1 3.25Å; T283-Y388 HydrophobicContact CG2-CE2 4.17Å; T283-Y388 HydrophobicContact CG2-CG 4.03Å; T283-E409 HydrophobicContact CG2-CB 4.5Å; T283-E409 HydrophobicContact CG2-CG 3.78Å; T283-E409 WeakPolarHBondContact CG2-OE2 3.33Å; T283-E409 PolarHBondContact OG1-OE2 3.43Å; T283-E409 VanDerWaalsContact OG1-OE2 3.13Å
284	Y	96.3	Very high	96.9	Very high	35 Å²	35	25.1 Å²	25.1	14%	0.137	12%	0.124	C	C	.	.	H	α-helix	trans	-58.3	-30.1	175	64.8	-104.7	0	0	0	112	F226 F229 W270 H288 Y388	F226-Y284 AromaticContact CD1-CD1 3.77Å; F226-Y284 HydrophobicContact CD1-CD1 3.77Å; F226-Y284 HydrophobicContact CD1-CD2 4.29Å; F226-Y284 AromaticContact CD1-CE1 3.84Å; F226-Y284 HydrophobicContact CD1-CE1 3.84Å; F226-Y284 HydrophobicContact CD1-CE2 4.42Å; F226-Y284 HydrophobicContact CD1-CG 4.02Å; F226-Y284 HydrophobicContact CE1-CD1 4.01Å; F226-Y284 HydrophobicContact CE1-CD2 4.09Å; F226-Y284 AromaticContact CE1-CE1 3.65Å; F226-Y284 HydrophobicContact CE1-CE1 3.65Å; F226-Y284 AromaticContact CE1-CE2 3.81Å; F226-Y284 HydrophobicContact CE1-CE2 3.81Å; F226-Y284 HydrophobicContact CE1-CG 4.23Å; F226-Y284 AromaticContact CE1-CZ 3.6Å; F229-Y284 HydrophobicContact CD2-CD2 4.29Å; F229-Y284 HydrophobicContact CD2-CG 4.09Å; F229-Y284 HydrophobicContact CE2-CD2 4.04Å; F229-Y284 HydrophobicContact CE2-CG 4.25Å; F229-Y284 HydrophobicContact CZ-CD2 4.4Å; W270-Y284 AromaticContact CD1-CD1 3.85Å; W270-Y284 HydrophobicContact CG-CD1 4.09Å; Y284-H288 WeakPolarHBondContact O-CB 3.34Å; Y284-H288 PolarHBondContact O-N 3.14Å; Y284-Y388 HydrophobicContact CD1-CE2 4.17Å; Y284-Y388 HydrophobicContact CE1-CD2 4.1Å; Y284-Y388 AromaticContact CE1-CE2 3.46Å; Y284-Y388 HydrophobicContact CE1-CE2 3.46Å; Y284-Y388 VanDerWaalsContact CE1-CE2 3.46Å; Y284-Y388 HydrophobicContact CE2-CD2 4.47Å; Y284-Y388 AromaticContact CZ-CD2 3.84Å; Y284-Y388 AromaticContact CZ-CE2 3.67Å
285	E	95.5	Very high	96.5	Very high	73 Å²	73	26.6 Å²	26.6	34%	0.341	12%	0.118	S	C	.	.	H	α-helix	trans	-67.4	-48.5	175.9	-69.9	-160.9	170.1	0	0	112.1	T283 T287 S289 Y388 Y392	T283-E285 PolarHBondContact O-N 3.01Å; E285-T287 VanDerWaalsContact C-N 3.32Å; E285-S289 WeakPolarHBondContact O-CB 3.43Å; E285-S289 PolarHBondContact O-N 3.18Å; E285-Y388 HydrophobicContact CG-CD2 4.11Å; E285-Y388 VanDerWaalsContact OE2-CB 3.27Å; E285-Y388 WeakPolarHBondContact OE2-CB 3.32Å; E285-Y392 PolarHBondContact O-OH 3.19Å
286	V	97.1	Very high	96	Very high	2 Å²	2	25 Å²	25	1%	0.012	12%	0.123	C	C	.	.	H	α-helix	trans	-64.8	-39.9	177.9	172	0	0	0	0	110.6	P282 T283 T290 L301 P391 L465	P282-V286 HydrophobicContact CB-CG1 4.5Å; T283-V286 PolarHBondContact O-N 2.83Å; T283-V286 WeakPolarHBondContact OG1-CG2 3.48Å; T283-V286 PolarHBondContact OG1-N 3.46Å; V286-T290 PolarHBondContact O-N 2.87Å; V286-T290 PolarHBondContact O-OG1 3.19Å; V286-L301 HydrophobicContact CG1-CD1 3.77Å; V286-P391 HydrophobicContact CG2-CB 4.29Å; V286-P391 HydrophobicContact CG2-CG 3.9Å; V286-L465 HydrophobicContact CG1-CD1 3.77Å
287	T	97.3	Very high	95.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62.2	-54.2	176.8	-60.8	0	0	0	0	111	M233 P282 T283 E285 S289 T290 L291 Y469	M233-T287 HydrophobicContact CB-CG2 3.68Å; M233-T287 HydrophobicContact CG-CG2 3.88Å; M233-T287 HydrophobicContact SD-CG2 3.92Å; P282-T287 PolarHBondContact O-OG1 2.85Å; T283-T287 WeakPolarHBondContact O-CB 3.25Å; T283-T287 PolarHBondContact O-N 3.15Å; T283-T287 PolarHBondContact O-OG1 2.91Å; E285-T287 VanDerWaalsContact C-N 3.32Å; T287-S289 VanDerWaalsContact C-N 3.35Å; T287-S289 PolarHBondContact O-N 2.86Å; T287-T290 PolarHBondContact O-N 2.73Å; T287-L291 HydrophobicContact CG2-CD1 3.91Å; T287-L291 WeakPolarHBondContact O-CG 3.21Å; T287-L291 PolarHBondContact O-N 3.08Å; T287-L291 VanDerWaalsContact O-N 3.08Å; T287-Y469 PolarHBondContact OG1-OH 3.34Å
288	H	96.9	Very high	95.2	Very high	57 Å²	57	26 Å²	26	26%	0.264	14%	0.141	S	C	.	.	H	α-helix	trans	-61.3	-43.8	178.5	-173.8	65.6	0	0	0	111.9	F229 Y284 T290 L291 E292 V297	F229-H288 HydrophobicContact CD1-CB 3.82Å; F229-H288 AromaticContact CD1-ND1 3.92Å; F229-H288 HydrophobicContact CE1-CB 3.77Å; F229-H288 AromaticContact CE1-CG 3.65Å; F229-H288 AromaticContact CE1-ND1 3.55Å; Y284-H288 WeakPolarHBondContact O-CB 3.34Å; Y284-H288 PolarHBondContact O-N 3.14Å; H288-T290 VanDerWaalsContact C-N 3.28Å; H288-T290 PolarHBondContact O-N 3.31Å; H288-L291 PolarHBondContact O-N 3.47Å; H288-E292 WeakPolarHBondContact CE1-CG 3.34Å; H288-E292 WeakPolarHBondContact ND1-CG 3.47Å; H288-E292 WeakPolarHBondContact O-CB 3.37Å; H288-E292 WeakPolarHBondContact O-CG 3.06Å; H288-E292 PolarHBondContact O-N 2.94Å; H288-V297 WeakPolarHBondContact NE2-CG2 3.21Å
289	S	97	Very high	94.9	Very high	1 Å²	1	29 Å²	29	1%	0.007	16%	0.157	C	C	.	.	H	α-helix	trans	-53.1	-45.6	175	-177.2	0	0	0	0	111.9	E285 T287 T293 D300 L301 Y392	E285-S289 WeakPolarHBondContact O-CB 3.43Å; E285-S289 PolarHBondContact O-N 3.18Å; T287-S289 VanDerWaalsContact C-N 3.35Å; T287-S289 PolarHBondContact O-N 2.86Å; S289-T293 PolarHBondContact O-N 2.92Å; S289-T293 PolarHBondContact O-OG1 3.47Å; S289-D300 WeakPolarHBondContact OG-CA 3.4Å; S289-D300 WeakPolarHBondContact OG-CB 3.39Å; S289-L301 WeakPolarHBondContact OG-CG 3.46Å; S289-L301 PolarHBondContact OG-N 3.32Å; S289-Y392 WeakPolarHBondContact CB-OH 3.12Å; S289-Y392 PolarHBondContact OG-OH 3.21Å
290	T	97	Very high	94.8	Very high	4 Å²	4	29 Å²	29	3%	0.025	16%	0.157	C	C	.	.	H	α-helix	trans	-69.5	-41.5	-179.9	-61.3	0	0	0	0	113.4	V286 T287 H288 P462 L465 Y466	V286-T290 PolarHBondContact O-N 2.87Å; V286-T290 PolarHBondContact O-OG1 3.19Å; T287-T290 PolarHBondContact O-N 2.73Å; H288-T290 VanDerWaalsContact C-N 3.28Å; H288-T290 PolarHBondContact O-N 3.31Å; T290-P462 HydrophobicContact CG2-CB 3.75Å; T290-P462 HydrophobicContact CG2-CG 4.32Å; T290-L465 HydrophobicContact CG2-CD2 3.67Å; T290-Y466 HydrophobicContact CG2-CE2 4.27Å
291	L	96.4	Very high	94.7	Very high	9 Å²	9	29.1 Å²	29.1	5%	0.047	16%	0.157	C	C	.	.	H	α-helix	trans	-71.3	-37.1	-179	-65.8	169.7	0	0	0	111.7	P59 R117 E232 M233 T287 H288 Y466	P59-L291 HydrophobicContact CG-CD2 4.01Å; R117-L291 PolarHBondContact NH1-O 3.13Å; R117-L291 VanDerWaalsContact NH1-O 3.1Å; E232-L291 HydrophobicContact CB-CD1 3.88Å; M233-L291 HydrophobicContact CB-CD1 4.37Å; T287-L291 HydrophobicContact CG2-CD1 3.91Å; T287-L291 WeakPolarHBondContact O-CG 3.21Å; T287-L291 PolarHBondContact O-N 3.08Å; T287-L291 VanDerWaalsContact O-N 3.08Å; H288-L291 PolarHBondContact O-N 3.47Å; L291-Y466 WeakPolarHBondContact CD2-OH 3.49Å
292	E	95.9	Very high	94.7	Very high	13 Å²	13	29.1 Å²	29.1	6%	0.061	16%	0.157	C	C	.	.	H	α-helix	trans	-101.1	-0.6	-171.8	-64.7	-54.5	121.6	0	0	115.7	H288 M294 R295 G296 V297	H288-E292 WeakPolarHBondContact CE1-CG 3.34Å; H288-E292 WeakPolarHBondContact ND1-CG 3.47Å; H288-E292 WeakPolarHBondContact O-CB 3.37Å; H288-E292 WeakPolarHBondContact O-CG 3.06Å; H288-E292 PolarHBondContact O-N 2.94Å; E292-M294 PolarHBondContact O-N 2.87Å; E292-R295 VanDerWaalsContact CD-NE 3.34Å; E292-R295 PolarHBondContact O-N 3.24Å; E292-R295 IonicContact OE1-CZ 2.52Å; E292-R295 VanDerWaalsContact OE1-CZ 3.24Å; E292-R295 IonicContact OE1-NE 3.17Å; E292-R295 PolarHBondContact OE1-NE 3.46Å; E292-R295 IonicContact OE1-NH2 2.74Å; E292-R295 PolarHBondContact OE1-NH2 3.42Å; E292-R295 IonicContact OE2-CZ 3.77Å; E292-R295 IonicContact OE2-NE 2.71Å; E292-R295 PolarHBondContact OE2-NE 3.4Å; E292-R295 IonicContact OE2-NH2 3.77Å; E292-R295 PolarHBondContact OE2-NH2 2.94Å; E292-G296 PolarHBondContact O-N 3.35Å; E292-V297 HydrophobicContact CB-CB 3.98Å; E292-V297 HydrophobicContact CB-CG2 3.51Å; E292-V297 HydrophobicContact CG-CG2 4.33Å; E292-V297 PolarHBondContact O-N 2.92Å
293	T	94.8	Very high	94.6	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.012	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-48.9	130.8	170.9	-69.7	0	0	0	0	109.5	V60 R117 S289 R295 D300 L302	V60-T293 HydrophobicContact CB-CG2 4.22Å; V60-T293 HydrophobicContact CG1-CG2 4.23Å; V60-T293 HydrophobicContact CG2-CG2 3.88Å; V60-T293 WeakPolarHBondContact CG2-O 3.27Å; R117-T293 PolarHBondContact NH1-O 3.37Å; S289-T293 PolarHBondContact O-N 2.92Å; S289-T293 PolarHBondContact O-OG1 3.47Å; T293-R295 PolarHBondContact O-N 3.42Å; T293-R295 VanDerWaalsContact O-N 3.14Å; T293-D300 HydrophobicContact CG2-CB 4.42Å; T293-D300 VanDerWaalsContact CG2-CG 3.5Å; T293-D300 WeakPolarHBondContact CG2-OD1 3.37Å; T293-D300 WeakPolarHBondContact OG1-CB 3.4Å; T293-D300 PolarHBondContact OG1-OD1 2.96Å; T293-L302 HydrophobicContact CG2-CB 4.48Å; T293-L302 HydrophobicContact CG2-CD1 4.24Å
294	M	93.3	Very high	94.6	Very high	23 Å²	23	29.3 Å²	29.3	11%	0.113	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	14.8	-178.8	-61.4	169.7	57.2	0	0	115.6	V60 H100 P102 R115 R117 E292	V60-M294 HydrophobicContact CG1-SD 3.61Å; V60-M294 HydrophobicContact CG2-CB 4.17Å; V60-M294 HydrophobicContact CG2-CG 4.41Å; V60-M294 HydrophobicContact CG2-SD 4.13Å; H100-M294 HydrophobicContact CB-CE 4.3Å; H100-M294 VanDerWaalsContact ND1-CE 3.34Å; H100-M294 WeakPolarHBondContact ND1-CE 3.42Å; P102-M294 HydrophobicContact CG-CE 3.57Å; P102-M294 HydrophobicContact CG-SD 4.11Å; R115-M294 HydrophobicContact CB-SD 3.88Å; R115-M294 VanDerWaalsContact CD-SD 3.57Å; R115-M294 HydrophobicContact CG-SD 3.6Å; R117-M294 HydrophobicContact CB-CE 4.16Å; E292-M294 PolarHBondContact O-N 2.87Å
295	R	88.9	Confident	94.6	Very high	130 Å²	130	27.8 Å²	27.8	49%	0.491	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118	-70.3	168.9	-171.5	173.9	85.1	147.1	-1.7	110.6	Y152 E292 T293	Y152-R295 PolarHBondContact OH-NH1 2.75Å; Y152-R295 VanDerWaalsContact OH-NH1 3.08Å; E292-R295 VanDerWaalsContact CD-NE 3.34Å; E292-R295 PolarHBondContact O-N 3.24Å; E292-R295 IonicContact OE1-CZ 2.52Å; E292-R295 VanDerWaalsContact OE1-CZ 3.24Å; E292-R295 IonicContact OE1-NE 3.17Å; E292-R295 PolarHBondContact OE1-NE 3.46Å; E292-R295 IonicContact OE1-NH2 2.74Å; E292-R295 PolarHBondContact OE1-NH2 3.42Å; E292-R295 IonicContact OE2-CZ 3.77Å; E292-R295 IonicContact OE2-NE 2.71Å; E292-R295 PolarHBondContact OE2-NE 3.4Å; E292-R295 IonicContact OE2-NH2 3.77Å; E292-R295 PolarHBondContact OE2-NH2 2.94Å; T293-R295 PolarHBondContact O-N 3.42Å; T293-R295 VanDerWaalsContact O-N 3.14Å
296	G	85.8	Confident	94.6	Very high	59 Å²	59	24.9 Å²	24.9	61%	0.608	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.2	-18.8	-174.8	0	0	0	0	0	115.1	E292	E292-G296 PolarHBondContact O-N 3.35Å
297	V	90.2	Very high	94.6	Very high	30 Å²	30	27.1 Å²	27.1	18%	0.182	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-113.1	123.8	-176.4	179.8	0	0	0	0	110.4	H288 E292 D300	H288-V297 WeakPolarHBondContact NE2-CG2 3.21Å; E292-V297 HydrophobicContact CB-CB 3.98Å; E292-V297 HydrophobicContact CB-CG2 3.51Å; E292-V297 HydrophobicContact CG-CG2 4.33Å; E292-V297 PolarHBondContact O-N 2.92Å; V297-D300 HydrophobicContact CG1-CB 3.94Å
298	T	87.6	Confident	94.4	Very high	105 Å²	105	27.5 Å²	27.5	64%	0.644	16%	0.157	S	C	*	.	S	Bend	trans	-99.7	-31	-180	53.1	0	0	0	0	113.3	D300 S303	T298-D300 PolarHBondContact O-N 3.22Å; T298-S303 WeakPolarHBondContact O-CB 3.45Å; T298-S303 PolarHBondContact O-OG 3.13Å
299	N	91.6	Very high	94.1	Very high	63 Å²	63	26.9 Å²	26.9	34%	0.337	17%	0.165	S	C	.	.	S	Bend	trans	-88.8	46.3	174.2	-64	-28.4	0	0	0	110.7	F369 F370 Y392	N299-F369 HydrophobicContact CB-CD1 4.32Å; N299-F370 VanDerWaalsContact OD1-CZ 3.27Å; N299-F370 WeakPolarHBondContact OD1-CZ 3.18Å; N299-Y392 WeakPolarHBondContact O-CE1 3.29Å
300	D	96.1	Very high	94	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.178	C	C	.	.			trans	-86	166.8	-176.2	70.4	87.4	0	0	0	113.2	R115 S289 T293 V297 T298 L302 S303 V304	R115-D300 IonicContact NH1-OD2 2.69Å; S289-D300 WeakPolarHBondContact OG-CA 3.4Å; S289-D300 WeakPolarHBondContact OG-CB 3.39Å; T293-D300 HydrophobicContact CG2-CB 4.42Å; T293-D300 VanDerWaalsContact CG2-CG 3.5Å; T293-D300 WeakPolarHBondContact CG2-OD1 3.37Å; T293-D300 WeakPolarHBondContact OG1-CB 3.4Å; T293-D300 PolarHBondContact OG1-OD1 2.96Å; V297-D300 HydrophobicContact CG1-CB 3.94Å; T298-D300 PolarHBondContact O-N 3.22Å; D300-L302 PolarHBondContact O-N 3.01Å; D300-L302 VanDerWaalsContact O-N 3.17Å; D300-L302 WeakPolarHBondContact OD1-CA 3.35Å; D300-L302 WeakPolarHBondContact OD1-CB 3.41Å; D300-L302 PolarHBondContact OD1-N 3.35Å; D300-S303 PolarHBondContact O-N 2.89Å; D300-S303 VanDerWaalsContact O-N 3.13Å; D300-S303 PolarHBondContact OD1-N 3.5Å; D300-S303 VanDerWaalsContact OD2-CB 3.23Å; D300-S303 WeakPolarHBondContact OD2-CB 3.01Å; D300-S303 PolarHBondContact OD2-OG 2.98Å; D300-V304 WeakPolarHBondContact O-CG2 3.43Å; D300-V304 PolarHBondContact O-N 3.48Å
301	L	97.4	Very high	93.9	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-57.2	-32.2	-175.7	-62.2	166.7	0	0	0	113.2	V286 S289 Q305 P391 Y392 L395	V286-L301 HydrophobicContact CG1-CD1 3.77Å; S289-L301 WeakPolarHBondContact OG-CG 3.46Å; S289-L301 PolarHBondContact OG-N 3.32Å; L301-Q305 PolarHBondContact O-NE2 3.41Å; L301-P391 HydrophobicContact CD2-CB 4.41Å; L301-Y392 HydrophobicContact CD2-CD1 4.06Å; L301-Y392 HydrophobicContact CD2-CE1 3.77Å; L301-Y392 HydrophobicContact CG-CE1 4.21Å; L301-L395 HydrophobicContact CB-CD1 3.96Å; L301-L395 HydrophobicContact CD2-CD1 3.52Å; L301-L395 HydrophobicContact CG-CD1 4.34Å
302	L	97.4	Very high	93.9	Very high	3 Å²	3	34 Å²	34	2%	0.016	21%	0.208	C	C	.	.	H	α-helix	trans	-81.1	-43.8	177.3	-61.1	-175.9	0	0	0	110.8	V60 Y62 L105 L113 T293 D300 V304 Q305 P462	V60-L302 HydrophobicContact CG1-CD1 4.05Å; Y62-L302 HydrophobicContact CD1-CD1 4.33Å; Y62-L302 HydrophobicContact CG-CD1 4.49Å; L105-L302 WeakPolarHBondContact CD1-O 3.24Å; L113-L302 HydrophobicContact CD2-CB 4Å; L113-L302 HydrophobicContact CD2-CD2 4.05Å; T293-L302 HydrophobicContact CG2-CB 4.48Å; T293-L302 HydrophobicContact CG2-CD1 4.24Å; D300-L302 PolarHBondContact O-N 3.01Å; D300-L302 VanDerWaalsContact O-N 3.17Å; D300-L302 WeakPolarHBondContact OD1-CA 3.35Å; D300-L302 WeakPolarHBondContact OD1-CB 3.41Å; D300-L302 PolarHBondContact OD1-N 3.35Å; L302-V304 VanDerWaalsContact C-N 3.33Å; L302-V304 PolarHBondContact O-N 2.89Å; L302-Q305 PolarHBondContact O-N 3.5Å; L302-P462 HydrophobicContact CD1-CG 4.18Å; L302-P462 HydrophobicContact CD2-CG 4.04Å; L302-P462 HydrophobicContact CG-CG 4.24Å
303	S	96.5	Very high	93.9	Very high	4 Å²	4	38.9 Å²	38.9	3%	0.028	24%	0.238	C	C	.	.	H	α-helix	trans	-59.7	-39.8	179.4	-70.7	0	0	0	0	113.2	R115 T298 D300 Q305 G306 N307	R115-S303 PolarHBondContact NH1-OG 2.87Å; R115-S303 PolarHBondContact NH2-OG 3.45Å; T298-S303 WeakPolarHBondContact O-CB 3.45Å; T298-S303 PolarHBondContact O-OG 3.13Å; D300-S303 PolarHBondContact O-N 2.89Å; D300-S303 VanDerWaalsContact O-N 3.13Å; D300-S303 PolarHBondContact OD1-N 3.5Å; D300-S303 VanDerWaalsContact OD2-CB 3.23Å; D300-S303 WeakPolarHBondContact OD2-CB 3.01Å; D300-S303 PolarHBondContact OD2-OG 2.98Å; S303-Q305 PolarHBondContact O-N 3.03Å; S303-G306 PolarHBondContact O-N 2.99Å; S303-N307 PolarHBondContact O-N 3.34Å; S303-N307 PolarHBondContact O-ND2 3.43Å
304	V	97.3	Very high	94	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-56.6	-36.8	-179.8	170.3	0	0	0	0	111.7	D300 L302 G306 N307 T308 F369 F370 F373 Y392 L395	D300-V304 WeakPolarHBondContact O-CG2 3.43Å; D300-V304 PolarHBondContact O-N 3.48Å; L302-V304 VanDerWaalsContact C-N 3.33Å; L302-V304 PolarHBondContact O-N 2.89Å; V304-G306 PolarHBondContact O-N 3.37Å; V304-G306 VanDerWaalsContact O-N 3.1Å; V304-N307 CarbonylContact O-C 3.49Å; V304-N307 PolarHBondContact O-N 3.38Å; V304-T308 WeakPolarHBondContact O-CG2 3.42Å; V304-F369 HydrophobicContact CG1-CE1 4.48Å; V304-F369 HydrophobicContact CG2-CD1 4.18Å; V304-F369 HydrophobicContact CG2-CE1 3.66Å; V304-F370 HydrophobicContact CG2-CE1 4.02Å; V304-F373 HydrophobicContact CG1-CE2 3.89Å; V304-F373 HydrophobicContact CG1-CZ 3.73Å; V304-Y392 HydrophobicContact CG2-CD1 4.1Å; V304-L395 HydrophobicContact CB-CB 4.33Å; V304-L395 HydrophobicContact CG1-CB 3.7Å
305	Q	97.1	Very high	94.2	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.019	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-23.3	-173.9	-60.8	-177.3	40.1	0	0	114.2	R107 L113 L301 L302 S303 L395 R457	R107-Q305 HydrophobicContact CG-CB 4.38Å; L113-Q305 HydrophobicContact CD2-CB 4.28Å; L301-Q305 PolarHBondContact O-NE2 3.41Å; L302-Q305 PolarHBondContact O-N 3.5Å; S303-Q305 PolarHBondContact O-N 3.03Å; Q305-L395 HydrophobicContact CG-CD2 4.05Å; Q305-R457 HydrophobicContact CG-CG 4.21Å; Q305-R457 PolarHBondContact O-NH2 2.78Å
306	G	95.6	Very high	94.7	Very high	11 Å²	11	40.8 Å²	40.8	11%	0.113	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110	6.7	175	0	0	0	0	0	115.3	D106 S303 V304	D106-G306 WeakPolarHBondContact O-CA 3.5Å; S303-G306 PolarHBondContact O-N 2.99Å; V304-G306 PolarHBondContact O-N 3.37Å; V304-G306 VanDerWaalsContact O-N 3.1Å
307	N	95.9	Very high	95.3	Very high	49 Å²	49	39.7 Å²	39.7	26%	0.262	25%	0.245	S	C	.	.			trans	-125.3	47.8	-179.9	-67.8	-75.7	0	0	0	110.8	S303 V304 G309 F370 F373	S303-N307 PolarHBondContact O-N 3.34Å; S303-N307 PolarHBondContact O-ND2 3.43Å; V304-N307 CarbonylContact O-C 3.49Å; V304-N307 PolarHBondContact O-N 3.38Å; N307-G309 VanDerWaalsContact C-N 3.31Å; N307-G309 PolarHBondContact O-N 3.26Å; N307-F370 HydrophobicContact CB-CB 4.16Å; N307-F370 HydrophobicContact CB-CD1 3.48Å; N307-F370 VanDerWaalsContact CB-CD1 3.48Å; N307-F370 HydrophobicContact CB-CD2 3.83Å; N307-F370 HydrophobicContact CB-CE1 3.72Å; N307-F370 HydrophobicContact CB-CE2 4.04Å; N307-F370 HydrophobicContact CB-CG 3.56Å; N307-F370 HydrophobicContact CB-CZ 3.99Å; N307-F373 VanDerWaalsContact O-CD2 3.23Å; N307-F373 WeakPolarHBondContact O-CD2 3.49Å
308	T	94.1	Very high	95.7	Very high	9 Å²	9	39.9 Å²	39.9	6%	0.055	24%	0.244	C	C	.	.			trans	-94.3	25	-173.9	61.6	0	0	0	0	113	V304 K315 F373 N397	V304-T308 WeakPolarHBondContact O-CG2 3.42Å; T308-K315 PolarHBondContact O-NZ 3.23Å; T308-F373 VanDerWaalsContact O-CB 3.29Å; T308-F373 WeakPolarHBondContact O-CB 3.3Å; T308-N397 VanDerWaalsContact CB-CG 3.44Å; T308-N397 WeakPolarHBondContact CB-OD1 3.43Å; T308-N397 VanDerWaalsContact O-CG 3.28Å; T308-N397 PolarHBondContact O-ND2 2.77Å; T308-N397 PolarHBondContact O-OD1 3.42Å; T308-N397 PolarHBondContact OG1-ND2 3.1Å
309	G	90.8	Very high	96.2	Very high	43 Å²	43	34.9 Å²	34.9	44%	0.443	21%	0.213	S	C	.	.			trans	66.1	-158.7	179.1	0	0	0	0	0	113.8	N307	N307-G309 VanDerWaalsContact C-N 3.31Å; N307-G309 PolarHBondContact O-N 3.26Å
310	P	94.4	Very high	96.5	Very high	41 Å²	41	31.9 Å²	31.9	27%	0.266	20%	0.198	S	C	.	.	S	Bend	trans	-72.1	165.5	-178.7	31.5	-35.6	0	0	0	112.2	N314 K315	P310-N314 HydrophobicContact CB-CB 3.96Å; P310-K315 HydrophobicContact CG-CG 4.06Å; P310-K315 WeakPolarHBondContact O-CE 3.4Å; P310-K315 PolarHBondContact O-NZ 3.37Å
311	P	93.9	Very high	96.7	Very high	84 Å²	84	32.1 Å²	32.1	55%	0.545	20%	0.199	S	C	.	.			trans	-53.6	152.6	170.6	-24.7	34.4	0	0	0	112.1	V313 N314 K315	P311-V313 VanDerWaalsContact C-N 3.26Å; P311-V313 HydrophobicContact CB-CG2 4.34Å; P311-V313 PolarHBondContact O-N 3.07Å; P311-V313 VanDerWaalsContact O-N 3.11Å; P311-N314 PolarHBondContact O-N 2.99Å; P311-K315 PolarHBondContact O-N 3.23Å
312	W	96.6	Very high	96.7	Very high	40 Å²	40	33.2 Å²	33.2	15%	0.152	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-46.4	-46.9	-175.2	177.8	-93.7	0	0	0	113.8	N314 K315 K376 Y377 L399 D442 A445 A446 A449	W312-N314 PolarHBondContact O-N 3.45Å; W312-N314 VanDerWaalsContact O-N 3.12Å; W312-K315 HydrophobicContact CE3-CD 4.37Å; W312-K315 WeakPolarHBondContact O-CB 3.47Å; W312-K315 PolarHBondContact O-N 2.96Å; W312-K315 VanDerWaalsContact O-N 3.1Å; W312-K376 HydrophobicContact CD2-CD 4.44Å; W312-K376 HydrophobicContact CD2-CG 4.48Å; W312-K376 HydrophobicContact CH2-CB 4.12Å; W312-K376 HydrophobicContact CH2-CD 4.36Å; W312-K376 HydrophobicContact CH2-CG 4.32Å; W312-K376 HydrophobicContact CZ2-CB 4.42Å; W312-K376 HydrophobicContact CZ2-CD 3.82Å; W312-K376 HydrophobicContact CZ2-CG 4.25Å; W312-K376 HydrophobicContact CZ3-CB 4.37Å; W312-K376 HydrophobicContact CZ3-CG 4.46Å; W312-K376 WeakPolarHBondContact O-CE 3.47Å; W312-Y377 HydrophobicContact CH2-CE1 4.35Å; W312-L399 HydrophobicContact CH2-CB 4.14Å; W312-L399 HydrophobicContact CZ3-CB 4.47Å; W312-D442 PolarHBondContact NE1-OD1 3.41Å; W312-D442 PolarHBondContact NE1-OD2 3.14Å; W312-A445 HydrophobicContact CH2-CB 4.22Å; W312-A445 HydrophobicContact CZ2-CB 4.06Å; W312-A446 HydrophobicContact CD2-CB 3.81Å; W312-A446 HydrophobicContact CE3-CB 4.38Å; W312-A446 HydrophobicContact CG-CB 4.13Å; W312-A446 HydrophobicContact CH2-CB 4.41Å; W312-A446 HydrophobicContact CZ2-CB 3.85Å; W312-A449 HydrophobicContact CH2-CB 4.47Å; W312-A449 HydrophobicContact CZ3-CB 3.93Å
313	V	96.4	Very high	96.7	Very high	114 Å²	114	33.1 Å²	33.1	69%	0.691	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-59.1	-24.6	-179.4	-64	0	0	0	0	114	P311	P311-V313 VanDerWaalsContact C-N 3.26Å; P311-V313 HydrophobicContact CB-CG2 4.34Å; P311-V313 PolarHBondContact O-N 3.07Å; P311-V313 VanDerWaalsContact O-N 3.11Å
314	N	97.2	Very high	96.7	Very high	116 Å²	116	40.6 Å²	40.6	62%	0.62	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-103.8	3.9	-177	-69.4	-11.7	0	0	0	113	P310 P311 W312	P310-N314 HydrophobicContact CB-CB 3.96Å; P311-N314 PolarHBondContact O-N 2.99Å; W312-N314 PolarHBondContact O-N 3.45Å; W312-N314 VanDerWaalsContact O-N 3.12Å
315	K	98.4	Very high	96.7	Very high	10 Å²	10	40.6 Å²	40.6	4%	0.043	23%	0.23	C	C	.	.	S	Bend	trans	-80.1	147.8	175.3	-67.4	-177.3	-171.2	-53.8	0	111.1	T308 P310 P311 W312 A317 F373 K374 K376 N397	T308-K315 PolarHBondContact O-NZ 3.23Å; P310-K315 HydrophobicContact CG-CG 4.06Å; P310-K315 WeakPolarHBondContact O-CE 3.4Å; P310-K315 PolarHBondContact O-NZ 3.37Å; P311-K315 PolarHBondContact O-N 3.23Å; W312-K315 HydrophobicContact CE3-CD 4.37Å; W312-K315 WeakPolarHBondContact O-CB 3.47Å; W312-K315 PolarHBondContact O-N 2.96Å; W312-K315 VanDerWaalsContact O-N 3.1Å; K315-A317 PolarHBondContact O-N 2.93Å; K315-F373 PolarHBondContact NZ-O 3.16Å; K315-K374 CarbonylContact C-O 3.5Å; K315-K374 VanDerWaalsContact CA-O 3.3Å; K315-K374 WeakPolarHBondContact CA-O 3.27Å; K315-K374 WeakPolarHBondContact CB-O 3.43Å; K315-K376 HydrophobicContact CB-CB 4.47Å; K315-K376 HydrophobicContact CB-CG 3.46Å; K315-K376 VanDerWaalsContact CB-CG 3.46Å; K315-K376 HydrophobicContact CD-CG 4.27Å; K315-N397 VanDerWaalsContact CE-O 3.3Å; K315-N397 WeakPolarHBondContact CE-O 3.38Å; K315-N397 WeakPolarHBondContact CE-OD1 3Å; K315-N397 VanDerWaalsContact NZ-CG 3.31Å; K315-N397 PolarHBondContact NZ-ND2 3.12Å; K315-N397 PolarHBondContact NZ-OD1 2.87Å
316	T	98.3	Very high	96.6	Very high	70 Å²	70	41.3 Å²	41.3	43%	0.429	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	121.3	173.2	-55.2	0	0	0	0	110.3	Q318 K374 Y375 K376	T316-Q318 HydrophobicContact CG2-CB 3.93Å; T316-Q318 PolarHBondContact O-N 3.37Å; T316-K374 PolarHBondContact N-O 3.26Å; T316-Y375 HydrophobicContact CG2-CD1 3.99Å; T316-Y375 HydrophobicContact CG2-CE1 4.12Å; T316-Y375 WeakPolarHBondContact O-CA 3.31Å; T316-K376 PolarHBondContact O-N 3.23Å
317	A	98.1	Very high	96.6	Very high	36 Å²	36	42.4 Å²	42.4	30%	0.298	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	62.4	179.8	0	0	0	0	0	112.1	K315 K376 Y377 K439	K315-A317 PolarHBondContact O-N 2.93Å; A317-K376 HydrophobicContact CB-CD 4.13Å; A317-Y377 HydrophobicContact CB-CE2 4.35Å; A317-K439 HydrophobicContact CB-CG 4.46Å; A317-K439 WeakPolarHBondContact O-CE 3.23Å; A317-K439 PolarHBondContact O-NZ 3.29Å
318	Q	98.1	Very high	96.6	Very high	33 Å²	33	46 Å²	46	15%	0.154	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	144.4	-178.3	-168.1	-170	32.9	0	0	109.1	T316 P341 L343 D345 Y375	T316-Q318 HydrophobicContact CG2-CB 3.93Å; T316-Q318 PolarHBondContact O-N 3.37Å; Q318-P341 PolarHBondContact NE2-O 2.96Å; Q318-L343 VanDerWaalsContact CG-C 3.48Å; Q318-L343 VanDerWaalsContact CG-O 3.27Å; Q318-L343 WeakPolarHBondContact CG-O 3.19Å; Q318-D345 HydrophobicContact CG-CB 4.48Å; Q318-Y375 HydrophobicContact CB-CD1 4.26Å
319	G	98.7	Very high	96.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	140.1	167.9	0	0	0	0	0	110.8	L343 L344 D345 Y377	G319-L343 PolarHBondContact N-O 2.89Å; G319-L344 WeakPolarHBondContact O-CA 3.21Å; G319-D345 PolarHBondContact O-N 2.93Å; G319-Y377 CarbonylContact C-O 3.53Å; G319-Y377 WeakPolarHBondContact CA-O 3.42Å
320	F	98.9	Very high	97.1	Very high	1 Å²	1	46.2 Å²	46.2	0%	0.004	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	136.9	-176.9	-172.7	-103.2	0	0	0	112.6	R322 D345 V367 F372 Y375 Y377 V379	F320-R322 HydrophobicContact CE1-CG 4Å; F320-R322 HydrophobicContact CE2-CG 4.26Å; F320-R322 HydrophobicContact CZ-CG 3.54Å; F320-D345 WeakPolarHBondContact CA-O 3.23Å; F320-D345 HydrophobicContact CD2-CB 4.17Å; F320-V367 HydrophobicContact CZ-CB 4.18Å; F320-V367 HydrophobicContact CZ-CG1 4.04Å; F320-V367 HydrophobicContact CZ-CG2 4.1Å; F320-F372 HydrophobicContact CD1-CB 4.22Å; F320-F372 HydrophobicContact CD1-CD1 4.47Å; F320-F372 AromaticContact CD1-CD2 3.93Å; F320-F372 HydrophobicContact CD1-CD2 3.93Å; F320-F372 HydrophobicContact CD1-CE2 4.43Å; F320-F372 AromaticContact CD1-CG 3.96Å; F320-F372 HydrophobicContact CD1-CG 3.96Å; F320-F372 HydrophobicContact CE1-CB 4.18Å; F320-F372 AromaticContact CE1-CD1 3.65Å; F320-F372 HydrophobicContact CE1-CD1 3.65Å; F320-F372 AromaticContact CE1-CD2 3.78Å; F320-F372 HydrophobicContact CE1-CD2 3.78Å; F320-F372 AromaticContact CE1-CE1 3.91Å; F320-F372 HydrophobicContact CE1-CE1 3.91Å; F320-F372 HydrophobicContact CE1-CE2 4.04Å; F320-F372 AromaticContact CE1-CG 3.59Å; F320-F372 HydrophobicContact CE1-CG 3.59Å; F320-F372 HydrophobicContact CE1-CZ 4.11Å; F320-Y375 HydrophobicContact CB-CD1 3.91Å; F320-Y375 HydrophobicContact CB-CD2 3.9Å; F320-Y375 HydrophobicContact CB-CG 3.55Å; F320-Y375 HydrophobicContact CD1-CD2 4.02Å; F320-Y375 HydrophobicContact CD1-CE2 4.33Å; F320-Y375 AromaticContact CD2-CD1 3.96Å; F320-Y375 HydrophobicContact CD2-CD1 3.96Å; F320-Y375 AromaticContact CD2-CD2 3.64Å; F320-Y375 HydrophobicContact CD2-CD2 3.64Å; F320-Y375 AromaticContact CD2-CE1 3.72Å; F320-Y375 HydrophobicContact CD2-CE1 3.72Å; F320-Y375 AromaticContact CD2-CE2 3.41Å; F320-Y375 HydrophobicContact CD2-CE2 3.41Å; F320-Y375 VanDerWaalsContact CD2-CE2 3.41Å; F320-Y375 AromaticContact CD2-CG 3.91Å; F320-Y375 HydrophobicContact CD2-CG 3.91Å; F320-Y375 AromaticContact CD2-CZ 3.43Å; F320-Y375 VanDerWaalsContact CD2-CZ 3.43Å; F320-Y375 HydrophobicContact CE1-CD2 4.48Å; F320-Y375 HydrophobicContact CE1-CE2 4.42Å; F320-Y375 HydrophobicContact CE2-CD2 4.13Å; F320-Y375 HydrophobicContact CE2-CE1 4.34Å; F320-Y375 AromaticContact CE2-CE2 3.52Å; F320-Y375 HydrophobicContact CE2-CE2 3.52Å; F320-Y375 AromaticContact CE2-CZ 3.62Å; F320-Y375 HydrophobicContact CG-CD1 4.17Å; F320-Y375 AromaticContact CG-CD2 3.56Å; F320-Y375 HydrophobicContact CG-CD2 3.56Å; F320-Y375 HydrophobicContact CG-CE1 4.39Å; F320-Y375 AromaticContact CG-CE2 3.84Å; F320-Y375 HydrophobicContact CG-CE2 3.84Å; F320-Y375 AromaticContact CG-CG 3.75Å; F320-Y375 HydrophobicContact CG-CG 3.75Å; F320-Y375 HydrophobicContact CZ-CE2 4.04Å; F320-Y377 PolarHBondContact N-O 3.34Å; F320-V379 PolarHBondContact O-N 3.15Å
321	F	98.8	Very high	97.3	Very high	5 Å²	5	45 Å²	45	2%	0.022	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	135.2	171.4	178.7	-96.7	0	0	0	112.3	R330 L333 D345 A346 G347 I348 V379	F321-R330 HydrophobicContact CE1-CB 4.36Å; F321-R330 HydrophobicContact CE1-CG 4.39Å; F321-R330 HydrophobicContact CZ-CB 4.42Å; F321-R330 HydrophobicContact CZ-CG 3.97Å; F321-L333 HydrophobicContact CB-CD1 4.22Å; F321-L333 HydrophobicContact CD1-CD1 3.78Å; F321-L333 HydrophobicContact CD2-CD1 4.08Å; F321-L333 HydrophobicContact CE1-CD1 4.12Å; F321-L333 HydrophobicContact CE2-CD1 4.39Å; F321-L333 HydrophobicContact CG-CD1 3.75Å; F321-L333 HydrophobicContact CZ-CD1 4.41Å; F321-D345 PolarHBondContact N-O 2.93Å; F321-A346 HydrophobicContact CB-CB 3.97Å; F321-A346 HydrophobicContact CD1-CB 4.47Å; F321-A346 WeakPolarHBondContact O-CA 3.48Å; F321-G347 PolarHBondContact O-N 3.41Å; F321-I348 HydrophobicContact CE1-CD1 4.45Å; F321-V379 HydrophobicContact CB-CB 4.36Å; F321-V379 WeakPolarHBondContact CD2-O 3.4Å
322	R	98.3	Very high	97.5	Very high	25 Å²	25	44.6 Å²	44.6	9%	0.094	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	130.4	161.7	-65.4	-67.5	-177.1	-90.6	0.8	109.3	F320 D345 G347 T349 V367 F372 R389	F320-R322 HydrophobicContact CE1-CG 4Å; F320-R322 HydrophobicContact CE2-CG 4.26Å; F320-R322 HydrophobicContact CZ-CG 3.54Å; R322-D345 IonicContact CZ-OD1 3.34Å; R322-D345 IonicContact CZ-OD2 3.83Å; R322-D345 PolarHBondContact NH1-O 2.87Å; R322-D345 IonicContact NH1-OD1 3.61Å; R322-D345 PolarHBondContact NH1-OD1 3.08Å; R322-D345 IonicContact NH1-OD2 3.61Å; R322-D345 IonicContact NH2-OD1 3.65Å; R322-D345 PolarHBondContact NH2-OD1 3.26Å; R322-D345 IonicContact NH2-OD2 2.67Å; R322-D345 PolarHBondContact NH2-OD2 3.04Å; R322-G347 WeakPolarHBondContact CA-O 3.37Å; R322-T349 HydrophobicContact CB-CG2 3.88Å; R322-T349 HydrophobicContact CG-CG2 4.4Å; R322-V367 HydrophobicContact CG-CB 4.23Å; R322-V367 HydrophobicContact CG-CG2 4.01Å; R322-F372 HydrophobicContact CB-CE1 4.35Å; R322-F372 HydrophobicContact CB-CE2 4.46Å; R322-F372 HydrophobicContact CB-CZ 3.76Å; R322-F372 HydrophobicContact CG-CZ 4.5Å; R322-R389 PolarHBondContact O-NH1 2.58Å; R322-R389 PolarHBondContact O-NH2 2.77Å
323	G	96.9	Very high	97.5	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.01	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.7	177.6	-178.9	0	0	0	0	0	113.4	G347 I348 T349	G323-G347 PolarHBondContact N-O 3.27Å; G323-I348 CarbonylContact O-C 3.47Å; G323-I348 VanDerWaalsContact O-CA 3.23Å; G323-I348 WeakPolarHBondContact O-CA 3.33Å; G323-T349 PolarHBondContact O-N 3.13Å; G323-T349 PolarHBondContact O-OG1 2.66Å
324	R	96.6	Very high	97.6	Very high	161 Å²	161	37.8 Å²	37.8	61%	0.608	18%	0.184	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	162.3	173.8	-67.3	-175.3	177.1	179.5	-0.2	111.3	S326 R330 G350	R324-S326 PolarHBondContact O-N 2.85Å; R324-R330 WeakPolarHBondContact O-CD 3.29Å; R324-R330 PolarHBondContact O-NH1 3.39Å; R324-G350 WeakPolarHBondContact CA-O 3.39Å
325	D	97	Very high	97.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-69.2	32.2	174.8	68.6	-26.2	0	0	0	114.1	R327 L331 I348 G350 W351 F352 F353 F354	D325-R327 PolarHBondContact O-N 2.99Å; D325-L331 HydrophobicContact CB-CD2 4.05Å; D325-I348 HydrophobicContact CB-CG2 3.98Å; D325-G350 PolarHBondContact N-O 2.83Å; D325-W351 HydrophobicContact CB-CD2 4.3Å; D325-W351 HydrophobicContact CB-CE3 3.76Å; D325-W351 HydrophobicContact CB-CZ3 3.97Å; D325-W351 WeakPolarHBondContact OD2-CA 3.37Å; D325-W351 VanDerWaalsContact OD2-CE3 3.3Å; D325-F352 VanDerWaalsContact CG-N 3.31Å; D325-F352 PolarHBondContact OD1-N 3.09Å; D325-F352 PolarHBondContact OD2-N 2.87Å; D325-F353 WeakPolarHBondContact O-CB 3.4Å; D325-F353 PolarHBondContact OD1-N 3.18Å; D325-F353 PolarHBondContact OD2-N 2.95Å; D325-F354 HydrophobicContact CB-CD2 4.14Å; D325-F354 WeakPolarHBondContact O-CD2 3.4Å; D325-F354 WeakPolarHBondContact O-CE2 3.44Å; D325-F354 PolarHBondContact OD2-N 3.16Å
326	S	95.8	Very high	97.5	Very high	19 Å²	19	35 Å²	35	13%	0.133	17%	0.173	C	C	.	.			trans	-73.5	2.1	-171.1	56.4	0	0	0	0	115.7	R324 R330 F353 G383	R324-S326 PolarHBondContact O-N 2.85Å; S326-R330 VanDerWaalsContact OG-CZ 3.26Å; S326-R330 PolarHBondContact OG-NH1 2.85Å; S326-F353 VanDerWaalsContact CA-CD2 3.46Å; S326-G383 CarbonylContact O-C 3.6Å; S326-G383 WeakPolarHBondContact OG-CA 3.29Å
327	R	95.8	Very high	97.5	Very high	34 Å²	34	32.3 Å²	32.3	13%	0.128	16%	0.158	C	C	.	.	S	Bend	trans	-164.7	146.2	-179.1	175	161.9	-103.5	156.4	6.9	110.5	D325 E329 R330 D382 G383	D325-R327 PolarHBondContact O-N 2.99Å; R327-E329 VanDerWaalsContact C-N 3.3Å; R327-E329 VanDerWaalsContact CD-OE2 3.31Å; R327-E329 WeakPolarHBondContact CD-OE2 3.34Å; R327-E329 HydrophobicContact CG-CB 4.3Å; R327-E329 WeakPolarHBondContact CG-OE2 3.38Å; R327-E329 IonicContact NE-OE2 3.53Å; R327-E329 PolarHBondContact O-N 3.45Å; R327-R330 WeakPolarHBondContact O-CB 3.21Å; R327-R330 PolarHBondContact O-N 2.91Å; R327-D382 IonicContact NH1-OD2 3.83Å; R327-G383 WeakPolarHBondContact CD-O 3.45Å; R327-G383 PolarHBondContact NH1-O 3.04Å
328	E	96.4	Very high	97.5	Very high	124 Å²	124	36.7 Å²	36.7	58%	0.579	17%	0.17	S	C	*	.	H	α-helix	trans	-60.7	-37.2	-176.3	-68.3	-167.4	160.2	0	0	112.9	R330 L331 H332 F354	E328-R330 PolarHBondContact O-N 3.3Å; E328-R330 VanDerWaalsContact O-N 3.14Å; E328-L331 WeakPolarHBondContact O-CA 3.38Å; E328-L331 WeakPolarHBondContact O-CB 3.36Å; E328-L331 PolarHBondContact O-N 3.26Å; E328-H332 PolarHBondContact O-N 2.98Å; E328-F354 HydrophobicContact CB-CZ 4.5Å; E328-F354 HydrophobicContact CG-CE1 3.65Å; E328-F354 HydrophobicContact CG-CE2 4.45Å; E328-F354 HydrophobicContact CG-CZ 3.51Å
329	E	97.5	Very high	97.5	Very high	37 Å²	37	42.8 Å²	42.8	17%	0.173	20%	0.196	C	C	.	.	H	α-helix	trans	-58.2	-28.8	177	-69.8	89	155.5	0	0	112	R327 H332 L333 V381 L428	R327-E329 VanDerWaalsContact C-N 3.3Å; R327-E329 VanDerWaalsContact CD-OE2 3.31Å; R327-E329 WeakPolarHBondContact CD-OE2 3.34Å; R327-E329 HydrophobicContact CG-CB 4.3Å; R327-E329 WeakPolarHBondContact CG-OE2 3.38Å; R327-E329 IonicContact NE-OE2 3.53Å; R327-E329 PolarHBondContact O-N 3.45Å; E329-H332 WeakPolarHBondContact O-CB 3.49Å; E329-H332 PolarHBondContact O-N 3.48Å; E329-L333 PolarHBondContact O-N 3.34Å; E329-V381 HydrophobicContact CB-CG1 3.95Å; E329-L428 HydrophobicContact CB-CD1 3.97Å; E329-L428 HydrophobicContact CB-CG 4.39Å; E329-L428 VanDerWaalsContact O-CD1 3.24Å; E329-L428 WeakPolarHBondContact O-CD1 3.45Å
330	R	98.1	Very high	97.4	Very high	20 Å²	20	43.8 Å²	43.8	8%	0.075	20%	0.203	C	C	.	.	H	α-helix	trans	-72.2	-30.1	173.5	-61.2	-178.5	173	-164.9	-1.4	112.7	F321 R324 S326 R327 E328 L333 I348 V381 D382 G383	F321-R330 HydrophobicContact CE1-CB 4.36Å; F321-R330 HydrophobicContact CE1-CG 4.39Å; F321-R330 HydrophobicContact CZ-CB 4.42Å; F321-R330 HydrophobicContact CZ-CG 3.97Å; R324-R330 WeakPolarHBondContact O-CD 3.29Å; R324-R330 PolarHBondContact O-NH1 3.39Å; S326-R330 VanDerWaalsContact OG-CZ 3.26Å; S326-R330 PolarHBondContact OG-NH1 2.85Å; R327-R330 WeakPolarHBondContact O-CB 3.21Å; R327-R330 PolarHBondContact O-N 2.91Å; E328-R330 PolarHBondContact O-N 3.3Å; E328-R330 VanDerWaalsContact O-N 3.14Å; R330-L333 WeakPolarHBondContact O-CB 3.36Å; R330-I348 HydrophobicContact CB-CD1 3.96Å; R330-V381 HydrophobicContact CG-CB 4.28Å; R330-V381 HydrophobicContact CG-CG1 3.71Å; R330-V381 PolarHBondContact NE-O 2.87Å; R330-V381 PolarHBondContact NH2-O 2.92Å; R330-D382 PolarHBondContact NE-O 3.05Å; R330-D382 VanDerWaalsContact NH2-C 3.28Å; R330-D382 PolarHBondContact NH2-O 3.17Å; R330-G383 VanDerWaalsContact NH2-N 3.15Å
331	L	97.7	Very high	97.4	Very high	15 Å²	15	47.3 Å²	47.3	8%	0.079	23%	0.226	C	C	.	.	H	α-helix	trans	-72.3	-36.4	170.5	-54.1	-172	0	0	0	110.8	D325 E328 L333 V334 S335 I348 W351 F354 R357 V361	D325-L331 HydrophobicContact CB-CD2 4.05Å; E328-L331 WeakPolarHBondContact O-CA 3.38Å; E328-L331 WeakPolarHBondContact O-CB 3.36Å; E328-L331 PolarHBondContact O-N 3.26Å; L331-L333 VanDerWaalsContact C-N 3.33Å; L331-L333 PolarHBondContact O-N 3.09Å; L331-V334 PolarHBondContact O-N 2.98Å; L331-S335 PolarHBondContact O-N 3.05Å; L331-S335 PolarHBondContact O-OG 3.42Å; L331-I348 HydrophobicContact CD2-CD1 4.12Å; L331-I348 HydrophobicContact CD2-CG1 3.78Å; L331-W351 HydrophobicContact CD1-CZ3 4.4Å; L331-W351 HydrophobicContact CD2-CH2 3.5Å; L331-W351 VanDerWaalsContact CD2-CH2 3.5Å; L331-W351 HydrophobicContact CD2-CZ2 4.43Å; L331-W351 HydrophobicContact CD2-CZ3 3.72Å; L331-F354 HydrophobicContact CD1-CB 3.95Å; L331-F354 HydrophobicContact CD1-CD1 4.37Å; L331-F354 HydrophobicContact CD1-CD2 4.07Å; L331-F354 HydrophobicContact CD1-CG 3.89Å; L331-R357 HydrophobicContact CD1-CB 4.22Å; L331-R357 HydrophobicContact CD1-CG 4.21Å; L331-V361 HydrophobicContact CD2-CG1 4.44Å
332	H	97.3	Very high	97.3	Very high	75 Å²	75	52.4 Å²	52.4	35%	0.347	25%	0.25	S	C	.	.	H	α-helix	trans	-62.5	-39.2	173.4	-168.8	65.1	0	0	0	111.8	E328 E329 V334 S335 L336	E328-H332 PolarHBondContact O-N 2.98Å; E329-H332 WeakPolarHBondContact O-CB 3.49Å; E329-H332 PolarHBondContact O-N 3.48Å; H332-V334 VanDerWaalsContact C-N 3.3Å; H332-V334 PolarHBondContact O-N 3.06Å; H332-S335 CarbonylContact O-C 3.56Å; H332-S335 WeakPolarHBondContact O-CA 3.33Å; H332-S335 VanDerWaalsContact O-CB 3.3Å; H332-S335 WeakPolarHBondContact O-CB 3.47Å; H332-S335 PolarHBondContact O-N 3.08Å; H332-L336 PolarHBondContact O-N 3.31Å
333	L	97.1	Very high	97.3	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-52.9	-44.8	171.9	-75.7	178.4	0	0	0	112.8	F321 E329 R330 L331 S335 L336 S337 L344 A346 V379 V381 L428 L431	F321-L333 HydrophobicContact CB-CD1 4.22Å; F321-L333 HydrophobicContact CD1-CD1 3.78Å; F321-L333 HydrophobicContact CD2-CD1 4.08Å; F321-L333 HydrophobicContact CE1-CD1 4.12Å; F321-L333 HydrophobicContact CE2-CD1 4.39Å; F321-L333 HydrophobicContact CG-CD1 3.75Å; F321-L333 HydrophobicContact CZ-CD1 4.41Å; E329-L333 PolarHBondContact O-N 3.34Å; R330-L333 WeakPolarHBondContact O-CB 3.36Å; L331-L333 VanDerWaalsContact C-N 3.33Å; L331-L333 PolarHBondContact O-N 3.09Å; L333-S335 VanDerWaalsContact C-N 3.26Å; L333-S335 PolarHBondContact O-N 3.19Å; L333-L336 PolarHBondContact O-N 2.88Å; L333-S337 WeakPolarHBondContact O-CB 3.04Å; L333-S337 PolarHBondContact O-N 3.28Å; L333-L344 HydrophobicContact CD2-CD2 4.32Å; L333-A346 HydrophobicContact CB-CB 3.92Å; L333-V379 HydrophobicContact CD1-CG1 4.28Å; L333-V379 HydrophobicContact CD2-CG1 3.85Å; L333-V381 HydrophobicContact CD1-CB 4.13Å; L333-V381 HydrophobicContact CD1-CG2 3.68Å; L333-V381 HydrophobicContact CD2-CG2 4.34Å; L333-V381 HydrophobicContact CG-CG2 4.21Å; L333-L428 HydrophobicContact CD2-CD1 3.64Å; L333-L428 HydrophobicContact CG-CD1 3.71Å; L333-L431 HydrophobicContact CD2-CD2 3.23Å
334	V	97.9	Very high	97.4	Very high	11 Å²	11	52.1 Å²	52.1	7%	0.067	25%	0.25	C	C	.	.	H	α-helix	trans	-64.2	-37	177.5	-178.4	0	0	0	0	110.8	L331 H332 S337 K338 I348 V361	L331-V334 PolarHBondContact O-N 2.98Å; H332-V334 VanDerWaalsContact C-N 3.3Å; H332-V334 PolarHBondContact O-N 3.06Å; V334-S337 PolarHBondContact O-N 3Å; V334-K338 WeakPolarHBondContact O-CG 3.49Å; V334-K338 PolarHBondContact O-N 3.32Å; V334-I348 HydrophobicContact CG2-CD1 4.37Å; V334-I348 HydrophobicContact CG2-CG1 3.84Å; V334-V361 HydrophobicContact CB-CG1 3.85Å; V334-V361 HydrophobicContact CG1-CG1 3.71Å; V334-V361 HydrophobicContact CG2-CG1 4.06Å
335	S	97.1	Very high	97.5	Very high	49 Å²	49	46.1 Å²	46.1	34%	0.343	23%	0.23	S	C	.	.	H	α-helix	trans	-66.1	-40.6	176.5	-55	0	0	0	0	111.8	L331 H332 L333 K339	L331-S335 PolarHBondContact O-N 3.05Å; L331-S335 PolarHBondContact O-OG 3.42Å; H332-S335 CarbonylContact O-C 3.56Å; H332-S335 WeakPolarHBondContact O-CA 3.33Å; H332-S335 VanDerWaalsContact O-CB 3.3Å; H332-S335 WeakPolarHBondContact O-CB 3.47Å; H332-S335 PolarHBondContact O-N 3.08Å; L333-S335 VanDerWaalsContact C-N 3.26Å; L333-S335 PolarHBondContact O-N 3.19Å; S335-K339 WeakPolarHBondContact O-CG 3.45Å; S335-K339 PolarHBondContact O-N 3.44Å
336	L	98.1	Very high	97.6	Very high	19 Å²	19	46.4 Å²	46.4	10%	0.099	23%	0.232	C	C	.	.	H	α-helix	trans	-64.8	-43	173.1	-67.4	175.2	0	0	0	111.5	H332 L333 K338 K339 S340 L344 L428 L431 L432	H332-L336 PolarHBondContact O-N 3.31Å; L333-L336 PolarHBondContact O-N 2.88Å; L336-K338 PolarHBondContact O-N 3.03Å; L336-K339 PolarHBondContact O-N 3.3Å; L336-K339 VanDerWaalsContact O-N 3.11Å; L336-S340 PolarHBondContact O-N 3.08Å; L336-L344 HydrophobicContact CB-CD2 3.91Å; L336-L428 HydrophobicContact CD1-CB 4.25Å; L336-L431 HydrophobicContact CD1-CB 4.49Å; L336-L431 HydrophobicContact CD1-CD2 4.07Å; L336-L432 HydrophobicContact CD2-CD1 4.11Å
337	S	98.3	Very high	97.7	Very high	14 Å²	14	45.7 Å²	45.7	10%	0.098	23%	0.228	C	C	.	.	H	α-helix	trans	-61.6	-39.8	177.5	-179.3	0	0	0	0	112.6	L333 V334 K339 S340 P341 L344 A346	L333-S337 WeakPolarHBondContact O-CB 3.04Å; L333-S337 PolarHBondContact O-N 3.28Å; V334-S337 PolarHBondContact O-N 3Å; S337-K339 VanDerWaalsContact C-N 3.29Å; S337-K339 PolarHBondContact O-N 3.36Å; S337-S340 CarbonylContact O-C 3.48Å; S337-P341 VanDerWaalsContact O-CA 3.23Å; S337-P341 WeakPolarHBondContact O-CA 3.41Å; S337-P341 WeakPolarHBondContact O-CD 3.41Å; S337-L344 WeakPolarHBondContact CA-O 3.3Å; S337-L344 WeakPolarHBondContact CB-O 3.48Å; S337-L344 PolarHBondContact OG-O 3.4Å; S337-A346 PolarHBondContact OG-N 3.02Å
338	K	97.1	Very high	97.8	Very high	127 Å²	127	44.1 Å²	44.1	55%	0.552	22%	0.222	S	C	*	.	H	α-helix	trans	-65.6	-31.1	174.2	-73.1	177.1	-177.5	178.3	0	113.2	V334 L336 Q360 V361	V334-K338 WeakPolarHBondContact O-CG 3.49Å; V334-K338 PolarHBondContact O-N 3.32Å; L336-K338 PolarHBondContact O-N 3.03Å; K338-Q360 PolarHBondContact NZ-O 3.07Å; K338-V361 PolarHBondContact NZ-O 2.86Å
339	K	97.3	Very high	97.8	Very high	161 Å²	161	39.2 Å²	39.2	70%	0.7	20%	0.2	S	C	*	.	H	α-helix	trans	-81.5	-33.8	-180	-72.7	177.1	-179.9	-176.9	0	112.8	S335 L336 S337 P341	S335-K339 WeakPolarHBondContact O-CG 3.45Å; S335-K339 PolarHBondContact O-N 3.44Å; L336-K339 PolarHBondContact O-N 3.3Å; L336-K339 VanDerWaalsContact O-N 3.11Å; S337-K339 VanDerWaalsContact C-N 3.29Å; S337-K339 PolarHBondContact O-N 3.36Å; K339-P341 VanDerWaalsContact C-CD 3.48Å
340	S	97.9	Very high	97.8	Very high	22 Å²	22	38.1 Å²	38.1	15%	0.154	20%	0.2	C	C	.	.			trans	-133.6	62.9	-177.5	-62.7	0	0	0	0	111.1	L336 S337 E342 L343 L344	L336-S340 PolarHBondContact O-N 3.08Å; S337-S340 CarbonylContact O-C 3.48Å; S340-E342 VanDerWaalsContact C-OE2 3.28Å; S340-E342 WeakPolarHBondContact CA-OE1 3.39Å; S340-E342 WeakPolarHBondContact CA-OE2 3.27Å; S340-E342 WeakPolarHBondContact CB-OE1 3.36Å; S340-E342 PolarHBondContact O-N 2.83Å; S340-L343 PolarHBondContact O-N 3.33Å; S340-L344 PolarHBondContact O-N 3.21Å
341	P	97.7	Very high	97.7	Very high	74 Å²	74	38.6 Å²	38.6	48%	0.481	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-19.7	-177.3	27.6	-36.2	0	0	0	112.9	Q318 S337 K339 L343	Q318-P341 PolarHBondContact NE2-O 2.96Å; S337-P341 VanDerWaalsContact O-CA 3.23Å; S337-P341 WeakPolarHBondContact O-CA 3.41Å; S337-P341 WeakPolarHBondContact O-CD 3.41Å; K339-P341 VanDerWaalsContact C-CD 3.48Å; P341-L343 VanDerWaalsContact C-N 3.32Å
342	E	97.4	Very high	97.6	Very high	113 Å²	113	43.5 Å²	43.5	53%	0.528	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-20.3	173.2	72.5	-64.5	154.2	0	0	113.8	S340	S340-E342 VanDerWaalsContact C-OE2 3.28Å; S340-E342 WeakPolarHBondContact CA-OE1 3.39Å; S340-E342 WeakPolarHBondContact CA-OE2 3.27Å; S340-E342 WeakPolarHBondContact CB-OE1 3.36Å; S340-E342 PolarHBondContact O-N 2.83Å
343	L	98.4	Very high	97.5	Very high	19 Å²	19	44.9 Å²	44.9	10%	0.099	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-35.4	179.4	-64.9	-175.5	0	0	0	112.9	Q318 G319 S340 P341 L432 I435 K439	Q318-L343 VanDerWaalsContact CG-C 3.48Å; Q318-L343 VanDerWaalsContact CG-O 3.27Å; Q318-L343 WeakPolarHBondContact CG-O 3.19Å; G319-L343 PolarHBondContact N-O 2.89Å; S340-L343 PolarHBondContact O-N 3.33Å; P341-L343 VanDerWaalsContact C-N 3.32Å; L343-L432 HydrophobicContact CB-CD2 4.35Å; L343-L432 HydrophobicContact CD1-CB 4.47Å; L343-I435 HydrophobicContact CB-CG2 4.18Å; L343-I435 HydrophobicContact CD2-CG2 4.38Å; L343-K439 HydrophobicContact CD2-CD 3.85Å
344	L	98.8	Very high	97.5	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	126.5	-171.2	178.6	63.7	0	0	0	111.8	G319 L333 L336 S337 S340 A346 V379 L431 L432 I435	G319-L344 WeakPolarHBondContact O-CA 3.21Å; L333-L344 HydrophobicContact CD2-CD2 4.32Å; L336-L344 HydrophobicContact CB-CD2 3.91Å; S337-L344 WeakPolarHBondContact CA-O 3.3Å; S337-L344 WeakPolarHBondContact CB-O 3.48Å; S337-L344 PolarHBondContact OG-O 3.4Å; S340-L344 PolarHBondContact O-N 3.21Å; L344-A346 HydrophobicContact CD1-CB 4.13Å; L344-A346 HydrophobicContact CD2-CB 4.19Å; L344-A346 HydrophobicContact CG-CB 3.98Å; L344-V379 HydrophobicContact CD1-CG2 3.84Å; L344-L431 HydrophobicContact CD2-CD2 3.98Å; L344-L432 HydrophobicContact CB-CD2 4.17Å; L344-L432 HydrophobicContact CD2-CD2 4.37Å; L344-I435 HydrophobicContact CB-CD1 4.23Å; L344-I435 HydrophobicContact CD1-CD1 4.15Å
345	D	98.6	Very high	97.4	Very high	35 Å²	35	54 Å²	54	19%	0.187	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	98	165.7	180	5.6	0	0	0	109.8	Q318 G319 F320 F321 R322 Y375	Q318-D345 HydrophobicContact CG-CB 4.48Å; G319-D345 PolarHBondContact O-N 2.93Å; F320-D345 WeakPolarHBondContact CA-O 3.23Å; F320-D345 HydrophobicContact CD2-CB 4.17Å; F321-D345 PolarHBondContact N-O 2.93Å; R322-D345 IonicContact CZ-OD1 3.34Å; R322-D345 IonicContact CZ-OD2 3.83Å; R322-D345 PolarHBondContact NH1-O 2.87Å; R322-D345 IonicContact NH1-OD1 3.61Å; R322-D345 PolarHBondContact NH1-OD1 3.08Å; R322-D345 IonicContact NH1-OD2 3.61Å; R322-D345 IonicContact NH2-OD1 3.65Å; R322-D345 PolarHBondContact NH2-OD1 3.26Å; R322-D345 IonicContact NH2-OD2 2.67Å; R322-D345 PolarHBondContact NH2-OD2 3.04Å; D345-Y375 PolarHBondContact OD2-OH 3.43Å
346	A	98.6	Very high	97.4	Very high	7 Å²	7	57.3 Å²	57.3	6%	0.058	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	135.7	-179.2	0	0	0	0	0	111.9	F321 L333 S337 L344	F321-A346 HydrophobicContact CB-CB 3.97Å; F321-A346 HydrophobicContact CD1-CB 4.47Å; F321-A346 WeakPolarHBondContact O-CA 3.48Å; L333-A346 HydrophobicContact CB-CB 3.92Å; S337-A346 PolarHBondContact OG-N 3.02Å; L344-A346 HydrophobicContact CD1-CB 4.13Å; L344-A346 HydrophobicContact CD2-CB 4.19Å; L344-A346 HydrophobicContact CG-CB 3.98Å
347	G	98.2	Very high	97.2	Very high	4 Å²	4	61.7 Å²	61.7	4%	0.041	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	144.8	-176.5	0	0	0	0	0	114.7	F321 R322 G323	F321-G347 PolarHBondContact O-N 3.41Å; R322-G347 WeakPolarHBondContact CA-O 3.37Å; G323-G347 PolarHBondContact N-O 3.27Å
348	I	98.5	Very high	97.1	Very high	1 Å²	1	64.4 Å²	64.4	1%	0.005	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	121.6	171.1	-61.2	-53	0	0	0	110.1	F321 G323 D325 R330 L331 V334 G350 W351 K363 A364	F321-I348 HydrophobicContact CE1-CD1 4.45Å; G323-I348 CarbonylContact O-C 3.47Å; G323-I348 VanDerWaalsContact O-CA 3.23Å; G323-I348 WeakPolarHBondContact O-CA 3.33Å; D325-I348 HydrophobicContact CB-CG2 3.98Å; R330-I348 HydrophobicContact CB-CD1 3.96Å; L331-I348 HydrophobicContact CD2-CD1 4.12Å; L331-I348 HydrophobicContact CD2-CG1 3.78Å; V334-I348 HydrophobicContact CG2-CD1 4.37Å; V334-I348 HydrophobicContact CG2-CG1 3.84Å; I348-G350 VanDerWaalsContact CG2-O 3.3Å; I348-G350 WeakPolarHBondContact CG2-O 3.23Å; I348-W351 HydrophobicContact CB-CZ2 3.95Å; I348-W351 HydrophobicContact CG1-CZ2 4.21Å; I348-W351 HydrophobicContact CG2-CD2 3.98Å; I348-W351 HydrophobicContact CG2-CG 4.31Å; I348-W351 HydrophobicContact CG2-CZ2 3.86Å; I348-K363 CarbonylContact O-C 3.55Å; I348-K363 WeakPolarHBondContact O-CA 3.41Å; I348-A364 PolarHBondContact O-N 3.08Å
349	T	97.1	Very high	97	Very high	20 Å²	20	68.3 Å²	68.3	12%	0.123	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-16	-176.1	59.8	0	0	0	0	114	R322 G323 K363 A364 L366	R322-T349 HydrophobicContact CB-CG2 3.88Å; R322-T349 HydrophobicContact CG-CG2 4.4Å; G323-T349 PolarHBondContact O-N 3.13Å; G323-T349 PolarHBondContact O-OG1 2.66Å; T349-K363 WeakPolarHBondContact O-CE 3.49Å; T349-A364 WeakPolarHBondContact CA-O 3.19Å; T349-L366 HydrophobicContact CG2-CD2 4.05Å
350	G	96.8	Very high	96.8	Very high	15 Å²	15	67.3 Å²	67.3	16%	0.155	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	144.5	179.4	0	0	0	0	0	111.6	R324 D325 I348	R324-G350 WeakPolarHBondContact CA-O 3.39Å; D325-G350 PolarHBondContact N-O 2.83Å; I348-G350 VanDerWaalsContact CG2-O 3.3Å; I348-G350 WeakPolarHBondContact CG2-O 3.23Å
351	W	96.4	Very high	96.6	Very high	30 Å²	30	67.2 Å²	67.2	11%	0.114	32%	0.315	C	S	.	.			trans	-117.2	116.1	-172.6	-69.4	92.9	0	0	0	110.2	D325 L331 I348 F354 R357 E358 V361 G362	D325-W351 HydrophobicContact CB-CD2 4.3Å; D325-W351 HydrophobicContact CB-CE3 3.76Å; D325-W351 HydrophobicContact CB-CZ3 3.97Å; D325-W351 WeakPolarHBondContact OD2-CA 3.37Å; D325-W351 VanDerWaalsContact OD2-CE3 3.3Å; L331-W351 HydrophobicContact CD1-CZ3 4.4Å; L331-W351 HydrophobicContact CD2-CH2 3.5Å; L331-W351 VanDerWaalsContact CD2-CH2 3.5Å; L331-W351 HydrophobicContact CD2-CZ2 4.43Å; L331-W351 HydrophobicContact CD2-CZ3 3.72Å; I348-W351 HydrophobicContact CB-CZ2 3.95Å; I348-W351 HydrophobicContact CG1-CZ2 4.21Å; I348-W351 HydrophobicContact CG2-CD2 3.98Å; I348-W351 HydrophobicContact CG2-CG 4.31Å; I348-W351 HydrophobicContact CG2-CZ2 3.86Å; W351-F354 HydrophobicContact CE3-CB 4.42Å; W351-F354 HydrophobicContact CZ3-CB 4.07Å; W351-F354 WeakPolarHBondContact CZ3-O 3.42Å; W351-R357 HydrophobicContact CH2-CB 4.16Å; W351-R357 HydrophobicContact CZ3-CB 3.81Å; W351-E358 VanDerWaalsContact CD1-OE1 3.28Å; W351-E358 HydrophobicContact CD2-CB 3.64Å; W351-E358 HydrophobicContact CD2-CG 4.01Å; W351-E358 HydrophobicContact CE3-CB 4.03Å; W351-E358 HydrophobicContact CG-CB 3.86Å; W351-E358 HydrophobicContact CG-CG 3.87Å; W351-E358 HydrophobicContact CZ2-CB 4.33Å; W351-V361 HydrophobicContact CH2-CB 3.49Å; W351-V361 VanDerWaalsContact CH2-CB 3.49Å; W351-V361 HydrophobicContact CH2-CG1 3.78Å; W351-V361 HydrophobicContact CH2-CG2 3.91Å; W351-V361 HydrophobicContact CZ2-CB 3.67Å; W351-V361 HydrophobicContact CZ2-CG1 3.77Å; W351-G362 WeakPolarHBondContact CZ2-O 3.29Å
352	F	95.3	Very high	96.5	Very high	118 Å²	118	65.3 Å²	65.3	52%	0.518	31%	0.309	S	S	.	.	S	Bend	trans	-133.3	-41.2	178	-175.9	-96.1	0	0	0	112.1	D325 R355	D325-F352 VanDerWaalsContact CG-N 3.31Å; D325-F352 PolarHBondContact OD1-N 3.09Å; D325-F352 PolarHBondContact OD2-N 2.87Å; F352-R355 PolarHBondContact O-NE 3.06Å
353	F	95.4	Very high	96.4	Very high	104 Å²	104	66.6 Å²	66.6	46%	0.456	31%	0.313	S	S	.	.	S	Bend	trans	-94.7	-33.6	-170.7	-60.9	-92.9	0	0	0	113.2	D325 S326	D325-F353 WeakPolarHBondContact O-CB 3.4Å; D325-F353 PolarHBondContact OD1-N 3.18Å; D325-F353 PolarHBondContact OD2-N 2.95Å; S326-F353 VanDerWaalsContact CA-CD2 3.46Å
354	F	96.3	Very high	96.4	Very high	43 Å²	43	66.6 Å²	66.6	19%	0.189	32%	0.315	C	S	.	.			trans	-125.5	49.6	-178.6	-57	-86.7	0	0	0	111.4	D325 E328 L331 W351 D356 R357	D325-F354 HydrophobicContact CB-CD2 4.14Å; D325-F354 WeakPolarHBondContact O-CD2 3.4Å; D325-F354 WeakPolarHBondContact O-CE2 3.44Å; D325-F354 PolarHBondContact OD2-N 3.16Å; E328-F354 HydrophobicContact CB-CZ 4.5Å; E328-F354 HydrophobicContact CG-CE1 3.65Å; E328-F354 HydrophobicContact CG-CE2 4.45Å; E328-F354 HydrophobicContact CG-CZ 3.51Å; L331-F354 HydrophobicContact CD1-CB 3.95Å; L331-F354 HydrophobicContact CD1-CD1 4.37Å; L331-F354 HydrophobicContact CD1-CD2 4.07Å; L331-F354 HydrophobicContact CD1-CG 3.89Å; W351-F354 HydrophobicContact CE3-CB 4.42Å; W351-F354 HydrophobicContact CZ3-CB 4.07Å; W351-F354 WeakPolarHBondContact CZ3-O 3.42Å; F354-D356 PolarHBondContact O-N 3.46Å; F354-D356 VanDerWaalsContact O-N 3.12Å; F354-R357 HydrophobicContact CB-CB 4.19Å; F354-R357 HydrophobicContact CB-CG 3.89Å; F354-R357 WeakPolarHBondContact O-CB 3.34Å; F354-R357 PolarHBondContact O-N 3.45Å
355	R	96.1	Very high	96.3	Very high	158 Å²	158	71.2 Å²	71.2	60%	0.596	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-56	-32.1	-174.4	-60.8	-178.2	-173.2	-167.6	-1.7	113.4	F352 R357 E358	F352-R355 PolarHBondContact O-NE 3.06Å; R355-R357 PolarHBondContact O-N 3.37Å; R355-E358 WeakPolarHBondContact O-CB 3.3Å; R355-E358 PolarHBondContact O-N 2.85Å
356	D	96.3	Very high	96.2	Very high	119 Å²	119	76.4 Å²	76.4	64%	0.636	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-64.3	-25.1	176.4	63.7	-57.3	0	0	0	113.1	F354	F354-D356 PolarHBondContact O-N 3.46Å; F354-D356 VanDerWaalsContact O-N 3.12Å
357	R	95.8	Very high	96.2	Very high	111 Å²	111	78.2 Å²	78.2	42%	0.419	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-87.1	-10.8	179.8	-53.7	-69.4	-121.5	-159.6	-4.7	113.4	L331 W351 F354 R355 K359 Q360 V361	L331-R357 HydrophobicContact CD1-CB 4.22Å; L331-R357 HydrophobicContact CD1-CG 4.21Å; W351-R357 HydrophobicContact CH2-CB 4.16Å; W351-R357 HydrophobicContact CZ3-CB 3.81Å; F354-R357 HydrophobicContact CB-CB 4.19Å; F354-R357 HydrophobicContact CB-CG 3.89Å; F354-R357 WeakPolarHBondContact O-CB 3.34Å; F354-R357 PolarHBondContact O-N 3.45Å; R355-R357 PolarHBondContact O-N 3.37Å; R357-K359 VanDerWaalsContact C-N 3.32Å; R357-K359 PolarHBondContact O-N 3.04Å; R357-Q360 PolarHBondContact O-N 2.63Å; R357-V361 HydrophobicContact CB-CG2 4.34Å; R357-V361 PolarHBondContact O-N 2.85Å
358	E	95.8	Very high	96.1	Very high	72 Å²	72	80 Å²	80	34%	0.336	40%	0.401	S	S	.	.	H	α-helix	trans	-56.1	-43.9	-175	177.5	167.6	-159.5	0	0	112.4	W351 R355 Q360 G362	W351-E358 VanDerWaalsContact CD1-OE1 3.28Å; W351-E358 HydrophobicContact CD2-CB 3.64Å; W351-E358 HydrophobicContact CD2-CG 4.01Å; W351-E358 HydrophobicContact CE3-CB 4.03Å; W351-E358 HydrophobicContact CG-CB 3.86Å; W351-E358 HydrophobicContact CG-CG 3.87Å; W351-E358 HydrophobicContact CZ2-CB 4.33Å; R355-E358 WeakPolarHBondContact O-CB 3.3Å; R355-E358 PolarHBondContact O-N 2.85Å; E358-Q360 PolarHBondContact O-N 2.99Å; E358-G362 VanDerWaalsContact O-CA 3.31Å; E358-G362 WeakPolarHBondContact O-CA 3.47Å; E358-G362 PolarHBondContact O-N 2.03Å
359	K	94.3	Very high	96	Very high	209 Å²	209	81.2 Å²	81.2	91%	0.909	41%	0.407	S	S	*	.	H	α-helix	trans	-62.8	-30.8	-179.5	-67.6	-176.8	179.9	178.7	0	113.2	R357	R357-K359 VanDerWaalsContact C-N 3.32Å; R357-K359 PolarHBondContact O-N 3.04Å
360	Q	93.3	Very high	95.9	Very high	140 Å²	140	82.9 Å²	82.9	65%	0.654	41%	0.412	S	S	*	.	H	α-helix	trans	-87.7	-42.4	-177.1	-63.6	176.6	-12	0	0	111.6	K338 R357 E358	K338-Q360 PolarHBondContact NZ-O 3.07Å; R357-Q360 PolarHBondContact O-N 2.63Å; E358-Q360 PolarHBondContact O-N 2.99Å
361	V	94.4	Very high	96	Very high	20 Å²	20	85.2 Å²	85.2	12%	0.121	42%	0.421	C	S	.	.	H	α-helix	trans	-84.2	-40.6	-175.9	177	0	0	0	0	111.3	L331 V334 K338 W351 R357	L331-V361 HydrophobicContact CD2-CG1 4.44Å; V334-V361 HydrophobicContact CB-CG1 3.85Å; V334-V361 HydrophobicContact CG1-CG1 3.71Å; V334-V361 HydrophobicContact CG2-CG1 4.06Å; K338-V361 PolarHBondContact NZ-O 2.86Å; W351-V361 HydrophobicContact CH2-CB 3.49Å; W351-V361 VanDerWaalsContact CH2-CB 3.49Å; W351-V361 HydrophobicContact CH2-CG1 3.78Å; W351-V361 HydrophobicContact CH2-CG2 3.91Å; W351-V361 HydrophobicContact CZ2-CB 3.67Å; W351-V361 HydrophobicContact CZ2-CG1 3.77Å; R357-V361 HydrophobicContact CB-CG2 4.34Å; R357-V361 PolarHBondContact O-N 2.85Å
362	G	94.3	Very high	96.1	Very high	33 Å²	33	84.3 Å²	84.3	34%	0.34	42%	0.418	S	S	.	.			trans	90.1	160.6	-177.5	0	0	0	0	0	113.6	W351 E358	W351-G362 WeakPolarHBondContact CZ2-O 3.29Å; E358-G362 VanDerWaalsContact O-CA 3.31Å; E358-G362 WeakPolarHBondContact O-CA 3.47Å; E358-G362 PolarHBondContact O-N 2.03Å
363	K	96.7	Very high	96.2	Very high	140 Å²	140	78.7 Å²	78.7	61%	0.609	39%	0.393	S	S	*	.			trans	-106.3	127.2	177.4	-173.1	178.2	-178.8	178.6	0	110.3	I348 T349	I348-K363 CarbonylContact O-C 3.55Å; I348-K363 WeakPolarHBondContact O-CA 3.41Å; T349-K363 WeakPolarHBondContact O-CE 3.49Å
364	A	97.4	Very high	96.3	Very high	19 Å²	19	78.3 Å²	78.3	16%	0.157	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-92	151.5	174.9	0	0	0	0	0	111.1	I348 T349	I348-A364 PolarHBondContact O-N 3.08Å; T349-A364 WeakPolarHBondContact CA-O 3.19Å
365	P	97.1	Very high	96.5	Very high	97 Å²	97	78.3 Å²	78.3	63%	0.63	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-65.8	152.5	174.4	28.2	-34.7	0	0	0	111.7
366	L	96.6	Very high	96.6	Very high	145 Å²	145	71.7 Å²	71.7	76%	0.759	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-66	141.6	168.5	-70.9	167.6	0	0	0	109.7	T349	T349-L366 HydrophobicContact CG2-CD2 4.05Å
367	V	97.1	Very high	96.7	Very high	44 Å²	44	66 Å²	66	27%	0.267	34%	0.336	S	S	.	.			trans	-119.6	135.2	173.8	176.2	0	0	0	0	107.2	F320 R322 D371 F372	F320-V367 HydrophobicContact CZ-CB 4.18Å; F320-V367 HydrophobicContact CZ-CG1 4.04Å; F320-V367 HydrophobicContact CZ-CG2 4.1Å; R322-V367 HydrophobicContact CG-CB 4.23Å; R322-V367 HydrophobicContact CG-CG2 4.01Å; V367-D371 HydrophobicContact CG1-CB 3.64Å; V367-F372 HydrophobicContact CB-CE1 4.09Å; V367-F372 HydrophobicContact CG1-CD1 4.11Å; V367-F372 HydrophobicContact CG1-CE1 4.18Å
368	G	96.6	Very high	96.8	Very high	42 Å²	42	60.8 Å²	60.8	43%	0.433	32%	0.316	S	S	.	.			trans	-59.5	141	176.7	0	0	0	0	0	110.3	F370 D371 F372	G368-F370 VanDerWaalsContact C-N 3.32Å; G368-F370 PolarHBondContact O-N 3.27Å; G368-D371 WeakPolarHBondContact O-CB 3.27Å; G368-D371 PolarHBondContact O-N 2.81Å; G368-F372 WeakPolarHBondContact O-CD1 3.47Å
369	F	96.3	Very high	97	Very high	27 Å²	27	57.5 Å²	57.5	12%	0.118	30%	0.301	C	S	.	.	H	α-helix	trans	-59	-41.7	-171.1	-177.2	-109.7	0	0	0	112.9	N299 V304 D371 F372 F373 R389 Y392 L393	N299-F369 HydrophobicContact CB-CD1 4.32Å; V304-F369 HydrophobicContact CG1-CE1 4.48Å; V304-F369 HydrophobicContact CG2-CD1 4.18Å; V304-F369 HydrophobicContact CG2-CE1 3.66Å; F369-D371 PolarHBondContact O-N 3.41Å; F369-F372 HydrophobicContact CD2-CD1 4.44Å; F369-F372 HydrophobicContact CD2-CD2 4.43Å; F369-F372 HydrophobicContact CD2-CG 4.36Å; F369-F372 HydrophobicContact CE2-CD2 4.39Å; F369-F372 WeakPolarHBondContact O-CB 3.31Å; F369-F372 WeakPolarHBondContact O-CD1 3.13Å; F369-F372 PolarHBondContact O-N 3.18Å; F369-F373 HydrophobicContact CD1-CE2 4.28Å; F369-F373 AromaticContact CE1-CE2 3.78Å; F369-F373 HydrophobicContact CE1-CE2 3.78Å; F369-F373 AromaticContact CE1-CZ 3.69Å; F369-F373 HydrophobicContact CE1-CZ 3.69Å; F369-F373 HydrophobicContact CZ-CE2 4.21Å; F369-F373 AromaticContact CZ-CZ 3.72Å; F369-F373 HydrophobicContact CZ-CZ 3.72Å; F369-R389 HydrophobicContact CE2-CG 3.77Å; F369-R389 HydrophobicContact CZ-CG 4.42Å; F369-Y392 HydrophobicContact CE1-CG 4.47Å; F369-Y392 HydrophobicContact CZ-CG 4.38Å; F369-L393 HydrophobicContact CE2-CD2 4.02Å; F369-L393 HydrophobicContact CZ-CD2 4.23Å
370	F	96.7	Very high	97.2	Very high	54 Å²	54	47.8 Å²	47.8	24%	0.237	26%	0.259	C	S	.	.	H	α-helix	trans	-64.4	-22.9	177.2	-56.6	-37.9	0	0	0	113.9	N299 V304 N307 G368 F372 F373	N299-F370 VanDerWaalsContact OD1-CZ 3.27Å; N299-F370 WeakPolarHBondContact OD1-CZ 3.18Å; V304-F370 HydrophobicContact CG2-CE1 4.02Å; N307-F370 HydrophobicContact CB-CB 4.16Å; N307-F370 HydrophobicContact CB-CD1 3.48Å; N307-F370 VanDerWaalsContact CB-CD1 3.48Å; N307-F370 HydrophobicContact CB-CD2 3.83Å; N307-F370 HydrophobicContact CB-CE1 3.72Å; N307-F370 HydrophobicContact CB-CE2 4.04Å; N307-F370 HydrophobicContact CB-CG 3.56Å; N307-F370 HydrophobicContact CB-CZ 3.99Å; G368-F370 VanDerWaalsContact C-N 3.32Å; G368-F370 PolarHBondContact O-N 3.27Å; F370-F372 PolarHBondContact O-N 3.2Å; F370-F373 HydrophobicContact CD1-CE2 4.41Å; F370-F373 PolarHBondContact O-N 3.4Å
371	D	97.6	Very high	97.4	Very high	65 Å²	65	41.1 Å²	41.1	35%	0.348	23%	0.228	S	C	.	.	H	α-helix	trans	-73.7	-16.1	175.5	-71.3	-34.8	0	0	0	112.8	V367 G368 F369 F373 K374	V367-D371 HydrophobicContact CG1-CB 3.64Å; G368-D371 WeakPolarHBondContact O-CB 3.27Å; G368-D371 PolarHBondContact O-N 2.81Å; F369-D371 PolarHBondContact O-N 3.41Å; D371-F373 PolarHBondContact O-N 2.83Å; D371-K374 HydrophobicContact CB-CD 4.17Å; D371-K374 VanDerWaalsContact CG-NZ 3.34Å; D371-K374 VanDerWaalsContact O-CB 3.31Å; D371-K374 WeakPolarHBondContact O-CB 3.33Å; D371-K374 WeakPolarHBondContact O-CG 3.48Å; D371-K374 PolarHBondContact O-N 3.08Å; D371-K374 VanDerWaalsContact O-N 3.07Å; D371-K374 WeakPolarHBondContact OD1-CE 3.02Å; D371-K374 IonicContact OD1-NZ 3.76Å; D371-K374 PolarHBondContact OD1-NZ 3.46Å; D371-K374 IonicContact OD2-NZ 3.09Å
372	F	98.1	Very high	97.6	Very high	10 Å²	10	40.2 Å²	40.2	4%	0.044	22%	0.222	C	C	.	.	H	α-helix	trans	-57.9	-39.2	172.7	-77	44.7	0	0	0	109.6	F320 R322 V367 G368 F369 F370 K374 Y375 Q378 L393	F320-F372 HydrophobicContact CD1-CB 4.22Å; F320-F372 HydrophobicContact CD1-CD1 4.47Å; F320-F372 AromaticContact CD1-CD2 3.93Å; F320-F372 HydrophobicContact CD1-CD2 3.93Å; F320-F372 HydrophobicContact CD1-CE2 4.43Å; F320-F372 AromaticContact CD1-CG 3.96Å; F320-F372 HydrophobicContact CD1-CG 3.96Å; F320-F372 HydrophobicContact CE1-CB 4.18Å; F320-F372 AromaticContact CE1-CD1 3.65Å; F320-F372 HydrophobicContact CE1-CD1 3.65Å; F320-F372 AromaticContact CE1-CD2 3.78Å; F320-F372 HydrophobicContact CE1-CD2 3.78Å; F320-F372 AromaticContact CE1-CE1 3.91Å; F320-F372 HydrophobicContact CE1-CE1 3.91Å; F320-F372 HydrophobicContact CE1-CE2 4.04Å; F320-F372 AromaticContact CE1-CG 3.59Å; F320-F372 HydrophobicContact CE1-CG 3.59Å; F320-F372 HydrophobicContact CE1-CZ 4.11Å; R322-F372 HydrophobicContact CB-CE1 4.35Å; R322-F372 HydrophobicContact CB-CE2 4.46Å; R322-F372 HydrophobicContact CB-CZ 3.76Å; R322-F372 HydrophobicContact CG-CZ 4.5Å; V367-F372 HydrophobicContact CB-CE1 4.09Å; V367-F372 HydrophobicContact CG1-CD1 4.11Å; V367-F372 HydrophobicContact CG1-CE1 4.18Å; G368-F372 WeakPolarHBondContact O-CD1 3.47Å; F369-F372 HydrophobicContact CD2-CD1 4.44Å; F369-F372 HydrophobicContact CD2-CD2 4.43Å; F369-F372 HydrophobicContact CD2-CG 4.36Å; F369-F372 HydrophobicContact CE2-CD2 4.39Å; F369-F372 WeakPolarHBondContact O-CB 3.31Å; F369-F372 WeakPolarHBondContact O-CD1 3.13Å; F369-F372 PolarHBondContact O-N 3.18Å; F370-F372 PolarHBondContact O-N 3.2Å; F372-K374 PolarHBondContact O-N 2.91Å; F372-Y375 WeakPolarHBondContact O-CD2 3.18Å; F372-Y375 PolarHBondContact O-N 3.35Å; F372-Y375 VanDerWaalsContact O-N 3.08Å; F372-Q378 PolarHBondContact O-NE2 3.24Å; F372-L393 HydrophobicContact CD2-CD2 4.22Å
373	F	98.1	Very high	97.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	6.3	-179.1	-50	-62	0	0	0	113.9	V304 N307 T308 K315 F369 F370 D371	V304-F373 HydrophobicContact CG1-CE2 3.89Å; V304-F373 HydrophobicContact CG1-CZ 3.73Å; N307-F373 VanDerWaalsContact O-CD2 3.23Å; N307-F373 WeakPolarHBondContact O-CD2 3.49Å; T308-F373 VanDerWaalsContact O-CB 3.29Å; T308-F373 WeakPolarHBondContact O-CB 3.3Å; K315-F373 PolarHBondContact NZ-O 3.16Å; F369-F373 HydrophobicContact CD1-CE2 4.28Å; F369-F373 AromaticContact CE1-CE2 3.78Å; F369-F373 HydrophobicContact CE1-CE2 3.78Å; F369-F373 AromaticContact CE1-CZ 3.69Å; F369-F373 HydrophobicContact CE1-CZ 3.69Å; F369-F373 HydrophobicContact CZ-CE2 4.21Å; F369-F373 AromaticContact CZ-CZ 3.72Å; F369-F373 HydrophobicContact CZ-CZ 3.72Å; F370-F373 HydrophobicContact CD1-CE2 4.41Å; F370-F373 PolarHBondContact O-N 3.4Å; D371-F373 PolarHBondContact O-N 2.83Å
374	K	98.4	Very high	97.5	Very high	96 Å²	96	33.1 Å²	33.1	42%	0.417	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-18	163.5	-68.4	170.2	171.7	165.1	0	112.2	K315 T316 D371 F372	K315-K374 CarbonylContact C-O 3.5Å; K315-K374 VanDerWaalsContact CA-O 3.3Å; K315-K374 WeakPolarHBondContact CA-O 3.27Å; K315-K374 WeakPolarHBondContact CB-O 3.43Å; T316-K374 PolarHBondContact N-O 3.26Å; D371-K374 HydrophobicContact CB-CD 4.17Å; D371-K374 VanDerWaalsContact CG-NZ 3.34Å; D371-K374 VanDerWaalsContact O-CB 3.31Å; D371-K374 WeakPolarHBondContact O-CB 3.33Å; D371-K374 WeakPolarHBondContact O-CG 3.48Å; D371-K374 PolarHBondContact O-N 3.08Å; D371-K374 VanDerWaalsContact O-N 3.07Å; D371-K374 WeakPolarHBondContact OD1-CE 3.02Å; D371-K374 IonicContact OD1-NZ 3.76Å; D371-K374 PolarHBondContact OD1-NZ 3.46Å; D371-K374 IonicContact OD2-NZ 3.09Å; F372-K374 PolarHBondContact O-N 2.91Å
375	Y	98.8	Very high	97.4	Very high	44 Å²	44	32.5 Å²	32.5	17%	0.173	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	139.9	-177.3	-60.2	-97.3	0	0	0	111.4	T316 Q318 F320 D345 F372 Y377 Q378 S398	T316-Y375 HydrophobicContact CG2-CD1 3.99Å; T316-Y375 HydrophobicContact CG2-CE1 4.12Å; T316-Y375 WeakPolarHBondContact O-CA 3.31Å; Q318-Y375 HydrophobicContact CB-CD1 4.26Å; F320-Y375 HydrophobicContact CB-CD1 3.91Å; F320-Y375 HydrophobicContact CB-CD2 3.9Å; F320-Y375 HydrophobicContact CB-CG 3.55Å; F320-Y375 HydrophobicContact CD1-CD2 4.02Å; F320-Y375 HydrophobicContact CD1-CE2 4.33Å; F320-Y375 AromaticContact CD2-CD1 3.96Å; F320-Y375 HydrophobicContact CD2-CD1 3.96Å; F320-Y375 AromaticContact CD2-CD2 3.64Å; F320-Y375 HydrophobicContact CD2-CD2 3.64Å; F320-Y375 AromaticContact CD2-CE1 3.72Å; F320-Y375 HydrophobicContact CD2-CE1 3.72Å; F320-Y375 AromaticContact CD2-CE2 3.41Å; F320-Y375 HydrophobicContact CD2-CE2 3.41Å; F320-Y375 VanDerWaalsContact CD2-CE2 3.41Å; F320-Y375 AromaticContact CD2-CG 3.91Å; F320-Y375 HydrophobicContact CD2-CG 3.91Å; F320-Y375 AromaticContact CD2-CZ 3.43Å; F320-Y375 VanDerWaalsContact CD2-CZ 3.43Å; F320-Y375 HydrophobicContact CE1-CD2 4.48Å; F320-Y375 HydrophobicContact CE1-CE2 4.42Å; F320-Y375 HydrophobicContact CE2-CD2 4.13Å; F320-Y375 HydrophobicContact CE2-CE1 4.34Å; F320-Y375 AromaticContact CE2-CE2 3.52Å; F320-Y375 HydrophobicContact CE2-CE2 3.52Å; F320-Y375 AromaticContact CE2-CZ 3.62Å; F320-Y375 HydrophobicContact CG-CD1 4.17Å; F320-Y375 AromaticContact CG-CD2 3.56Å; F320-Y375 HydrophobicContact CG-CD2 3.56Å; F320-Y375 HydrophobicContact CG-CE1 4.39Å; F320-Y375 AromaticContact CG-CE2 3.84Å; F320-Y375 HydrophobicContact CG-CE2 3.84Å; F320-Y375 AromaticContact CG-CG 3.75Å; F320-Y375 HydrophobicContact CG-CG 3.75Å; F320-Y375 HydrophobicContact CZ-CE2 4.04Å; D345-Y375 PolarHBondContact OD2-OH 3.43Å; F372-Y375 WeakPolarHBondContact O-CD2 3.18Å; F372-Y375 PolarHBondContact O-N 3.35Å; F372-Y375 VanDerWaalsContact O-N 3.08Å; Y375-Y377 PolarHBondContact O-N 3.04Å; Y375-Q378 PolarHBondContact O-NE2 3.18Å; Y375-Q378 VanDerWaalsContact O-NE2 3.08Å; Y375-S398 WeakPolarHBondContact O-CB 3.37Å; Y375-S398 PolarHBondContact O-OG 3.11Å
376	K	98.7	Very high	97.4	Very high	18 Å²	18	28 Å²	28	8%	0.078	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	-35	-179.4	-74.4	-171.6	171.4	-176.3	0	113.1	W312 K315 T316 A317 S398 L399 D442	W312-K376 HydrophobicContact CD2-CD 4.44Å; W312-K376 HydrophobicContact CD2-CG 4.48Å; W312-K376 HydrophobicContact CH2-CB 4.12Å; W312-K376 HydrophobicContact CH2-CD 4.36Å; W312-K376 HydrophobicContact CH2-CG 4.32Å; W312-K376 HydrophobicContact CZ2-CB 4.42Å; W312-K376 HydrophobicContact CZ2-CD 3.82Å; W312-K376 HydrophobicContact CZ2-CG 4.25Å; W312-K376 HydrophobicContact CZ3-CB 4.37Å; W312-K376 HydrophobicContact CZ3-CG 4.46Å; W312-K376 WeakPolarHBondContact O-CE 3.47Å; K315-K376 HydrophobicContact CB-CB 4.47Å; K315-K376 HydrophobicContact CB-CG 3.46Å; K315-K376 VanDerWaalsContact CB-CG 3.46Å; K315-K376 HydrophobicContact CD-CG 4.27Å; T316-K376 PolarHBondContact O-N 3.23Å; A317-K376 HydrophobicContact CB-CD 4.13Å; K376-S398 CarbonylContact O-C 3.48Å; K376-S398 WeakPolarHBondContact O-CB 3.24Å; K376-L399 PolarHBondContact O-N 2.98Å; K376-D442 IonicContact NZ-OD1 3.88Å; K376-D442 PolarHBondContact NZ-OD1 3.33Å; K376-D442 IonicContact NZ-OD2 3.16Å; K376-D442 PolarHBondContact NZ-OD2 3Å; K376-D442 VanDerWaalsContact NZ-OD2 3.08Å
377	Y	98.9	Very high	97.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	114.1	-169.7	-33.9	-62.5	0	0	0	111.1	W312 A317 G319 F320 Y375 L399 I435 A438 K439	W312-Y377 HydrophobicContact CH2-CE1 4.35Å; A317-Y377 HydrophobicContact CB-CE2 4.35Å; G319-Y377 CarbonylContact C-O 3.53Å; G319-Y377 WeakPolarHBondContact CA-O 3.42Å; F320-Y377 PolarHBondContact N-O 3.34Å; Y375-Y377 PolarHBondContact O-N 3.04Å; Y377-L399 CarbonylContact C-O 3.45Å; Y377-L399 WeakPolarHBondContact CA-O 3.46Å; Y377-L399 HydrophobicContact CD1-CB 4.17Å; Y377-L399 HydrophobicContact CD1-CD2 4.17Å; Y377-I435 HydrophobicContact CD2-CG2 4.03Å; Y377-I435 HydrophobicContact CE2-CG2 4.33Å; Y377-A438 HydrophobicContact CD1-CB 3.92Å; Y377-A438 HydrophobicContact CE1-CB 3.57Å; Y377-A438 PolarHBondContact OH-O 3.14Å; Y377-K439 HydrophobicContact CE2-CD 4.28Å; Y377-K439 HydrophobicContact CE2-CG 3.6Å; Y377-K439 WeakPolarHBondContact OH-CA 3.47Å; Y377-K439 VanDerWaalsContact OH-CG 3.25Å; Y377-K439 WeakPolarHBondContact OH-CG 3.34Å; Y377-K439 PolarHBondContact OH-N 3.28Å
378	Q	98.8	Very high	97.4	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	114.1	179.9	-58.9	-58.2	-46.4	0	0	109.8	F372 Y375 N380 L393 L399 V400 L401	F372-Q378 PolarHBondContact O-NE2 3.24Å; Y375-Q378 PolarHBondContact O-NE2 3.18Å; Y375-Q378 VanDerWaalsContact O-NE2 3.08Å; Q378-N380 PolarHBondContact O-N 2.71Å; Q378-L393 HydrophobicContact CB-CB 4.46Å; Q378-L393 HydrophobicContact CB-CD1 4.15Å; Q378-L393 HydrophobicContact CB-CD2 4.13Å; Q378-L393 HydrophobicContact CB-CG 4.46Å; Q378-L393 HydrophobicContact CG-CD2 4.16Å; Q378-L399 PolarHBondContact N-O 2.88Å; Q378-V400 HydrophobicContact CB-CG2 4.45Å; Q378-V400 WeakPolarHBondContact O-CA 3.21Å; Q378-L401 PolarHBondContact O-N 2.78Å
379	V	98.8	Very high	97.4	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.024	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	118.7	178.8	-172.1	0	0	0	0	109.1	F320 F321 L333 L344 V381 L401 L431	F320-V379 PolarHBondContact O-N 3.15Å; F321-V379 HydrophobicContact CB-CB 4.36Å; F321-V379 WeakPolarHBondContact CD2-O 3.4Å; L333-V379 HydrophobicContact CD1-CG1 4.28Å; L333-V379 HydrophobicContact CD2-CG1 3.85Å; L344-V379 HydrophobicContact CD1-CG2 3.84Å; V379-V381 HydrophobicContact CG1-CG2 4Å; V379-L401 HydrophobicContact CG2-CD1 4.26Å; V379-L431 HydrophobicContact CG1-CD1 3.98Å; V379-L431 HydrophobicContact CG1-CD2 4.13Å; V379-L431 HydrophobicContact CG2-CD1 4.12Å
380	N	98.6	Very high	97.5	Very high	4 Å²	4	20.4 Å²	20.4	2%	0.021	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	100.3	-179.6	-174.5	74.7	0	0	0	110.6	Q378 A387 F390 L393 V400 L401 Q403	Q378-N380 PolarHBondContact O-N 2.71Å; N380-A387 WeakPolarHBondContact OD1-CB 3.42Å; N380-F390 HydrophobicContact CB-CD2 4.25Å; N380-L393 HydrophobicContact CB-CD1 3.94Å; N380-V400 HydrophobicContact CB-CG1 3.83Å; N380-L401 PolarHBondContact N-O 2.9Å; N380-Q403 WeakPolarHBondContact O-CB 3.17Å; N380-Q403 PolarHBondContact O-N 2.54Å
381	V	98.2	Very high	97.5	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.006	8%	0.084	C	C	.	.			trans	-112	135.7	178.3	174.5	0	0	0	0	109.6	E329 R330 L333 V379 Q403 L428	E329-V381 HydrophobicContact CB-CG1 3.95Å; R330-V381 HydrophobicContact CG-CB 4.28Å; R330-V381 HydrophobicContact CG-CG1 3.71Å; R330-V381 PolarHBondContact NE-O 2.87Å; R330-V381 PolarHBondContact NH2-O 2.92Å; L333-V381 HydrophobicContact CD1-CB 4.13Å; L333-V381 HydrophobicContact CD1-CG2 3.68Å; L333-V381 HydrophobicContact CD2-CG2 4.34Å; L333-V381 HydrophobicContact CG-CG2 4.21Å; V379-V381 HydrophobicContact CG1-CG2 4Å; V381-Q403 HydrophobicContact CG2-CB 4.39Å; V381-L428 HydrophobicContact CG2-CD1 4.31Å; V381-L428 HydrophobicContact CG2-CD2 3.81Å
382	D	97.3	Very high	97.6	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.071	C	C	.	.			trans	-56.4	154.9	179.4	-81	2.5	0	0	0	112.7	R327 R330 V385 A387 S405	R327-D382 IonicContact NH1-OD2 3.83Å; R330-D382 PolarHBondContact NE-O 3.05Å; R330-D382 VanDerWaalsContact NH2-C 3.28Å; R330-D382 PolarHBondContact NH2-O 3.17Å; D382-V385 WeakPolarHBondContact CB-O 3.48Å; D382-A387 PolarHBondContact OD1-N 2.93Å; D382-S405 WeakPolarHBondContact OD2-CB 3.28Å; D382-S405 PolarHBondContact OD2-OG 3Å
383	G	94.9	Very high	97.6	Very high	6 Å²	6	15.3 Å²	15.3	6%	0.062	7%	0.069	C	C	.	.	S	Bend	trans	-97.2	-129.8	169.5	0	0	0	0	0	109.9	S326 R327 R330 V385	S326-G383 CarbonylContact O-C 3.6Å; S326-G383 WeakPolarHBondContact OG-CA 3.29Å; R327-G383 WeakPolarHBondContact CD-O 3.45Å; R327-G383 PolarHBondContact NH1-O 3.04Å; R330-G383 VanDerWaalsContact NH2-N 3.15Å; G383-V385 VanDerWaalsContact C-N 3.26Å; G383-V385 PolarHBondContact N-O 3.15Å; G383-V385 PolarHBondContact O-N 3.27Å
384	T	94.3	Very high	97.6	Very high	19 Å²	19	15.5 Å²	15.5	12%	0.117	7%	0.07	C	C	.	.	S	Bend	trans	-51.7	-50.7	164.7	-47.3	0	0	0	0	110.1	D254 W255	D254-T384 HydrophobicContact CB-CG2 4.06Å; W255-T384 HydrophobicContact CD2-CG2 4.02Å; W255-T384 HydrophobicContact CH2-CG2 4Å; W255-T384 WeakPolarHBondContact CH2-O 3.38Å; W255-T384 HydrophobicContact CZ2-CG2 3.24Å; W255-T384 WeakPolarHBondContact CZ3-O 3.17Å; W255-T384 VanDerWaalsContact NE1-CG2 3.31Å
385	V	96.4	Very high	97.6	Very high	5 Å²	5	11 Å²	11	3%	0.03	5%	0.05	C	C	.	.	S	Bend	trans	-128.3	-157.9	175.3	-63.8	0	0	0	0	110.5	D254 W255 C271 D382 G383 A387 Y388 Y407	D254-V385 HydrophobicContact CB-CG1 4.41Å; D254-V385 HydrophobicContact CB-CG2 4.25Å; D254-V385 VanDerWaalsContact O-CG1 3.32Å; D254-V385 WeakPolarHBondContact O-CG1 3.2Å; W255-V385 HydrophobicContact CD2-CG1 4.05Å; W255-V385 HydrophobicContact CE3-CG1 3.7Å; W255-V385 HydrophobicContact CG-CG1 4.48Å; W255-V385 HydrophobicContact CZ3-CG1 4.17Å; C271-V385 HydrophobicContact CB-CB 4.22Å; C271-V385 HydrophobicContact CB-CG2 3.98Å; D382-V385 WeakPolarHBondContact CB-O 3.48Å; G383-V385 VanDerWaalsContact C-N 3.26Å; G383-V385 PolarHBondContact N-O 3.15Å; G383-V385 PolarHBondContact O-N 3.27Å; V385-A387 PolarHBondContact O-N 2.72Å; V385-Y388 HydrophobicContact CG2-CE1 4.26Å; V385-Y407 HydrophobicContact CB-CD1 3.98Å; V385-Y407 HydrophobicContact CB-CE1 4.36Å; V385-Y407 HydrophobicContact CB-CG 4.22Å; V385-Y407 HydrophobicContact CG1-CD1 4.05Å; V385-Y407 HydrophobicContact CG1-CE1 3.95Å
386	A	97.2	Very high	97.5	Very high	4 Å²	4	8.9 Å²	8.9	3%	0.033	4%	0.042	C	C	.	.	S	Bend	trans	-45.3	136.4	174.8	0	0	0	0	0	111.4	Y388 E409 Y412	A386-Y388 HydrophobicContact CB-CE1 4.45Å; A386-Y388 VanDerWaalsContact O-CD1 3.27Å; A386-Y388 WeakPolarHBondContact O-CD1 3.42Å; A386-Y388 PolarHBondContact O-N 2.7Å; A386-Y388 VanDerWaalsContact O-N 3.09Å; A386-E409 HydrophobicContact CB-CG 4.22Å; A386-Y412 HydrophobicContact CB-CE2 4.41Å
387	A	96.6	Very high	97.4	Very high	6 Å²	6	9.4 Å²	9.4	5%	0.05	5%	0.046	C	C	.	.			trans	-72.1	103.4	176.8	0	0	0	0	0	111.4	N380 D382 V385 R389 F390	N380-A387 WeakPolarHBondContact OD1-CB 3.42Å; D382-A387 PolarHBondContact OD1-N 2.93Å; V385-A387 PolarHBondContact O-N 2.72Å; A387-R389 PolarHBondContact O-N 2.97Å; A387-F390 VanDerWaalsContact O-CB 3.23Å; A387-F390 WeakPolarHBondContact O-CB 3.44Å; A387-F390 PolarHBondContact O-N 3.21Å
388	Y	96.1	Very high	97.3	Very high	17 Å²	17	9.5 Å²	9.5	7%	0.067	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-4.6	177.9	-58.8	-16.9	0	0	0	114.9	C271 T283 Y284 E285 V385 A386 F390 P391 Y392 E409	C271-Y388 HydrophobicContact CB-CE1 4.35Å; T283-Y388 HydrophobicContact CG2-CD1 3.47Å; T283-Y388 VanDerWaalsContact CG2-CD1 3.47Å; T283-Y388 HydrophobicContact CG2-CD2 4.35Å; T283-Y388 HydrophobicContact CG2-CE1 3.25Å; T283-Y388 HydrophobicContact CG2-CE2 4.17Å; T283-Y388 HydrophobicContact CG2-CG 4.03Å; Y284-Y388 HydrophobicContact CD1-CE2 4.17Å; Y284-Y388 HydrophobicContact CE1-CD2 4.1Å; Y284-Y388 AromaticContact CE1-CE2 3.46Å; Y284-Y388 HydrophobicContact CE1-CE2 3.46Å; Y284-Y388 VanDerWaalsContact CE1-CE2 3.46Å; Y284-Y388 HydrophobicContact CE2-CD2 4.47Å; Y284-Y388 AromaticContact CZ-CD2 3.84Å; Y284-Y388 AromaticContact CZ-CE2 3.67Å; E285-Y388 HydrophobicContact CG-CD2 4.11Å; E285-Y388 VanDerWaalsContact OE2-CB 3.27Å; E285-Y388 WeakPolarHBondContact OE2-CB 3.32Å; V385-Y388 HydrophobicContact CG2-CE1 4.26Å; A386-Y388 HydrophobicContact CB-CE1 4.45Å; A386-Y388 VanDerWaalsContact O-CD1 3.27Å; A386-Y388 WeakPolarHBondContact O-CD1 3.42Å; A386-Y388 PolarHBondContact O-N 2.7Å; A386-Y388 VanDerWaalsContact O-N 3.09Å; Y388-F390 VanDerWaalsContact C-N 3.35Å; Y388-P391 WeakPolarHBondContact O-CD 3.29Å; Y388-P391 VanDerWaalsContact O-CG 3.28Å; Y388-P391 WeakPolarHBondContact O-CG 3.39Å; Y388-Y392 WeakPolarHBondContact O-CD2 3.47Å; Y388-Y392 WeakPolarHBondContact O-CE2 3.27Å; Y388-E409 HydrophobicContact CD1-CG 4.22Å; Y388-E409 HydrophobicContact CE1-CG 4.35Å
389	R	96.1	Very high	97.3	Very high	73 Å²	73	9.5 Å²	9.5	28%	0.275	5%	0.047	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-24	167.9	-162.9	-179	-70.6	135	1	113	R322 F369 A387 Y392 L393	R322-R389 PolarHBondContact O-NH1 2.58Å; R322-R389 PolarHBondContact O-NH2 2.77Å; F369-R389 HydrophobicContact CE2-CG 3.77Å; F369-R389 HydrophobicContact CZ-CG 4.42Å; A387-R389 PolarHBondContact O-N 2.97Å; R389-Y392 WeakPolarHBondContact O-CB 3.34Å; R389-Y392 PolarHBondContact O-N 3.17Å; R389-L393 HydrophobicContact CG-CD1 4.31Å; R389-L393 HydrophobicContact CG-CD2 4.17Å; R389-L393 HydrophobicContact CG-CG 3.95Å; R389-L393 PolarHBondContact O-N 2.71Å
390	F	98.4	Very high	97.3	Very high	1 Å²	1	9.4 Å²	9.4	0%	0.004	5%	0.046	C	C	.	.	H	α-helix	trans	-50.8	-47.7	-176.7	-175.8	-117.5	0	0	0	114.2	N380 A387 Y388 Y392 L393 M394 V400 K402 F411 Y412 L415 Y421	N380-F390 HydrophobicContact CB-CD2 4.25Å; A387-F390 VanDerWaalsContact O-CB 3.23Å; A387-F390 WeakPolarHBondContact O-CB 3.44Å; A387-F390 PolarHBondContact O-N 3.21Å; Y388-F390 VanDerWaalsContact C-N 3.35Å; F390-Y392 PolarHBondContact O-N 3.3Å; F390-L393 PolarHBondContact O-N 2.7Å; F390-M394 HydrophobicContact CD1-CG 4.31Å; F390-M394 HydrophobicContact CD2-CG 3.9Å; F390-M394 HydrophobicContact CD2-SD 4.4Å; F390-M394 HydrophobicContact CE1-CG 4.04Å; F390-M394 HydrophobicContact CE2-CG 3.52Å; F390-M394 HydrophobicContact CE2-SD 3.54Å; F390-M394 VanDerWaalsContact CE2-SD 3.54Å; F390-M394 HydrophobicContact CG-CG 4.29Å; F390-M394 HydrophobicContact CZ-CG 3.6Å; F390-M394 HydrophobicContact CZ-SD 3.69Å; F390-M394 VanDerWaalsContact O-CG 3.3Å; F390-M394 WeakPolarHBondContact O-CG 3.16Å; F390-M394 PolarHBondContact O-N 2.95Å; F390-V400 HydrophobicContact CD2-CG1 3.89Å; F390-V400 HydrophobicContact CE2-CB 4.41Å; F390-V400 HydrophobicContact CE2-CG1 3.69Å; F390-K402 HydrophobicContact CD2-CD 4.38Å; F390-K402 HydrophobicContact CD2-CG 4.31Å; F390-K402 HydrophobicContact CE1-CD 4.18Å; F390-K402 HydrophobicContact CE2-CB 4.14Å; F390-K402 HydrophobicContact CE2-CD 3.76Å; F390-K402 HydrophobicContact CE2-CG 3.94Å; F390-K402 HydrophobicContact CZ-CD 3.65Å; F390-K402 HydrophobicContact CZ-CG 4.35Å; F390-F411 HydrophobicContact CD1-CE2 4.04Å; F390-F411 AromaticContact CD1-CZ 3.76Å; F390-F411 HydrophobicContact CD1-CZ 3.76Å; F390-F411 AromaticContact CE1-CE2 3.99Å; F390-F411 HydrophobicContact CE1-CE2 3.99Å; F390-F411 HydrophobicContact CE1-CZ 4.18Å; F390-Y412 HydrophobicContact CB-CE1 4.47Å; F390-Y412 VanDerWaalsContact CB-OH 3.31Å; F390-Y412 WeakPolarHBondContact CB-OH 3.26Å; F390-Y412 AromaticContact CD1-CD1 3.94Å; F390-Y412 HydrophobicContact CD1-CD1 3.94Å; F390-Y412 AromaticContact CD1-CE1 3.24Å; F390-Y412 HydrophobicContact CD1-CE1 3.24Å; F390-Y412 HydrophobicContact CD1-CE2 4.21Å; F390-Y412 AromaticContact CD1-CZ 3.37Å; F390-Y412 WeakPolarHBondContact CD1-OH 3.01Å; F390-Y412 HydrophobicContact CE1-CD1 4.02Å; F390-Y412 AromaticContact CE1-CE1 3.78Å; F390-Y412 HydrophobicContact CE1-CE1 3.78Å; F390-Y412 HydrophobicContact CE1-CE2 4.49Å; F390-Y412 HydrophobicContact CE1-CG 4.49Å; F390-Y412 HydrophobicContact CG-CE1 4.25Å; F390-L415 HydrophobicContact CE1-CD1 3.6Å; F390-L415 HydrophobicContact CZ-CD1 3.84Å; F390-Y421 HydrophobicContact CZ-CD1 4.32Å
391	P	98.2	Very high	97.4	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-54.2	-41.5	175.6	16.9	-31.2	0	0	0	112.7	V286 L301 Y388 M394 L395 E409 F411 L460	V286-P391 HydrophobicContact CG2-CB 4.29Å; V286-P391 HydrophobicContact CG2-CG 3.9Å; L301-P391 HydrophobicContact CD2-CB 4.41Å; Y388-P391 WeakPolarHBondContact O-CD 3.29Å; Y388-P391 VanDerWaalsContact O-CG 3.28Å; Y388-P391 WeakPolarHBondContact O-CG 3.39Å; P391-M394 PolarHBondContact O-N 3.28Å; P391-L395 WeakPolarHBondContact O-CG 3.46Å; P391-L395 PolarHBondContact O-N 3.18Å; P391-E409 WeakPolarHBondContact CD-OE1 3.42Å; P391-F411 HydrophobicContact CB-CE1 3.97Å; P391-F411 HydrophobicContact CB-CZ 3.73Å; P391-F411 HydrophobicContact CG-CE1 4.28Å; P391-F411 HydrophobicContact CG-CZ 4.27Å; P391-L460 HydrophobicContact CB-CD1 3.46Å; P391-L460 VanDerWaalsContact CB-CD1 3.46Å; P391-L460 HydrophobicContact CB-CD2 4.13Å; P391-L460 HydrophobicContact CB-CG 4.46Å
392	Y	98.4	Very high	97.4	Very high	20 Å²	20	9.8 Å²	9.8	8%	0.078	5%	0.047	C	C	.	.	H	α-helix	trans	-73.3	-36.4	-179.8	-54.5	-90	0	0	0	113.1	E285 S289 N299 L301 V304 F369 Y388 R389 F390 M394 L395 G396	E285-Y392 PolarHBondContact O-OH 3.19Å; S289-Y392 WeakPolarHBondContact CB-OH 3.12Å; S289-Y392 PolarHBondContact OG-OH 3.21Å; N299-Y392 WeakPolarHBondContact O-CE1 3.29Å; L301-Y392 HydrophobicContact CD2-CD1 4.06Å; L301-Y392 HydrophobicContact CD2-CE1 3.77Å; L301-Y392 HydrophobicContact CG-CE1 4.21Å; V304-Y392 HydrophobicContact CG2-CD1 4.1Å; F369-Y392 HydrophobicContact CE1-CG 4.47Å; F369-Y392 HydrophobicContact CZ-CG 4.38Å; Y388-Y392 WeakPolarHBondContact O-CD2 3.47Å; Y388-Y392 WeakPolarHBondContact O-CE2 3.27Å; R389-Y392 WeakPolarHBondContact O-CB 3.34Å; R389-Y392 PolarHBondContact O-N 3.17Å; F390-Y392 PolarHBondContact O-N 3.3Å; Y392-M394 VanDerWaalsContact C-N 3.33Å; Y392-L395 PolarHBondContact O-N 2.8Å; Y392-G396 PolarHBondContact O-N 3.26Å
393	L	98.6	Very high	97.4	Very high	3 Å²	3	9.9 Å²	9.9	2%	0.016	5%	0.048	C	C	.	.	H	α-helix	trans	-64.5	-42.1	174.5	-63	177.6	0	0	0	111	F369 F372 Q378 N380 R389 F390 L395 G396 V400	F369-L393 HydrophobicContact CE2-CD2 4.02Å; F369-L393 HydrophobicContact CZ-CD2 4.23Å; F372-L393 HydrophobicContact CD2-CD2 4.22Å; Q378-L393 HydrophobicContact CB-CB 4.46Å; Q378-L393 HydrophobicContact CB-CD1 4.15Å; Q378-L393 HydrophobicContact CB-CD2 4.13Å; Q378-L393 HydrophobicContact CB-CG 4.46Å; Q378-L393 HydrophobicContact CG-CD2 4.16Å; N380-L393 HydrophobicContact CB-CD1 3.94Å; R389-L393 HydrophobicContact CG-CD1 4.31Å; R389-L393 HydrophobicContact CG-CD2 4.17Å; R389-L393 HydrophobicContact CG-CG 3.95Å; R389-L393 PolarHBondContact O-N 2.71Å; F390-L393 PolarHBondContact O-N 2.7Å; L393-L395 VanDerWaalsContact C-N 3.34Å; L393-G396 WeakPolarHBondContact O-CA 3.14Å; L393-G396 PolarHBondContact O-N 2.68Å; L393-G396 VanDerWaalsContact O-N 3.09Å; L393-V400 HydrophobicContact CB-CG2 3.85Å
394	M	98.6	Very high	97.5	Very high	4 Å²	4	14.1 Å²	14.1	2%	0.02	7%	0.069	C	C	.	.	H	α-helix	trans	-65.9	-34.3	177.8	-68.3	-65.1	-59.7	0	0	112.3	F390 P391 Y392 G396 V400 L415 H420 G452 Q453 A456	F390-M394 HydrophobicContact CD1-CG 4.31Å; F390-M394 HydrophobicContact CD2-CG 3.9Å; F390-M394 HydrophobicContact CD2-SD 4.4Å; F390-M394 HydrophobicContact CE1-CG 4.04Å; F390-M394 HydrophobicContact CE2-CG 3.52Å; F390-M394 HydrophobicContact CE2-SD 3.54Å; F390-M394 VanDerWaalsContact CE2-SD 3.54Å; F390-M394 HydrophobicContact CG-CG 4.29Å; F390-M394 HydrophobicContact CZ-CG 3.6Å; F390-M394 HydrophobicContact CZ-SD 3.69Å; F390-M394 VanDerWaalsContact O-CG 3.3Å; F390-M394 WeakPolarHBondContact O-CG 3.16Å; F390-M394 PolarHBondContact O-N 2.95Å; P391-M394 PolarHBondContact O-N 3.28Å; Y392-M394 VanDerWaalsContact C-N 3.33Å; M394-G396 PolarHBondContact O-N 3.25Å; M394-V400 HydrophobicContact CG-CG2 4.26Å; M394-V400 HydrophobicContact SD-CB 3.78Å; M394-V400 HydrophobicContact SD-CG1 4.36Å; M394-V400 HydrophobicContact SD-CG2 3.56Å; M394-V400 VanDerWaalsContact SD-CG2 3.56Å; M394-L415 HydrophobicContact CE-CD1 4.04Å; M394-L415 HydrophobicContact CE-CD2 4.27Å; M394-L415 HydrophobicContact CG-CD1 4.47Å; M394-H420 HydrophobicContact CE-CB 4.25Å; M394-H420 WeakPolarHBondContact CE-O 3.34Å; M394-G452 VanDerWaalsContact CE-CA 3.48Å; M394-G452 WeakPolarHBondContact CE-O 3.38Å; M394-Q453 WeakPolarHBondContact O-CA 3.24Å; M394-A456 HydrophobicContact CB-CB 3.63Å
395	L	98.1	Very high	97.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-68.5	-17.9	172.8	-74.2	166.3	0	0	0	113.4	L301 V304 Q305 P391 Y392 L393 Q453 A456 R457 L460	L301-L395 HydrophobicContact CB-CD1 3.96Å; L301-L395 HydrophobicContact CD2-CD1 3.52Å; L301-L395 HydrophobicContact CG-CD1 4.34Å; V304-L395 HydrophobicContact CB-CB 4.33Å; V304-L395 HydrophobicContact CG1-CB 3.7Å; Q305-L395 HydrophobicContact CG-CD2 4.05Å; P391-L395 WeakPolarHBondContact O-CG 3.46Å; P391-L395 PolarHBondContact O-N 3.18Å; Y392-L395 PolarHBondContact O-N 2.8Å; L393-L395 VanDerWaalsContact C-N 3.34Å; L395-Q453 PolarHBondContact O-NE2 2.89Å; L395-A456 HydrophobicContact CD2-CB 4.23Å; L395-A456 HydrophobicContact CG-CB 4.35Å; L395-R457 HydrophobicContact CD2-CB 4.42Å; L395-R457 HydrophobicContact CD2-CG 3.82Å; L395-L460 HydrophobicContact CD1-CB 4.47Å; L395-L460 HydrophobicContact CD1-CD1 3.97Å; L395-L460 HydrophobicContact CD2-CD1 4.44Å; L395-L460 HydrophobicContact CG-CD1 3.98Å
396	G	96.5	Very high	97.6	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	173.9	169.4	0	0	0	0	0	113.5	Y392 L393 M394 Q453	Y392-G396 PolarHBondContact O-N 3.26Å; L393-G396 WeakPolarHBondContact O-CA 3.14Å; L393-G396 PolarHBondContact O-N 2.68Å; L393-G396 VanDerWaalsContact O-N 3.09Å; M394-G396 PolarHBondContact O-N 3.25Å; G396-Q453 WeakPolarHBondContact O-CB 3.24Å; G396-Q453 WeakPolarHBondContact O-CG 3.49Å; G396-Q453 PolarHBondContact O-NE2 2.04Å
397	N	95.5	Very high	97.7	Very high	30 Å²	30	17 Å²	17	16%	0.16	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	33.1	176.5	65.8	-8.6	0	0	0	111.8	T308 K315	T308-N397 VanDerWaalsContact CB-CG 3.44Å; T308-N397 WeakPolarHBondContact CB-OD1 3.43Å; T308-N397 VanDerWaalsContact O-CG 3.28Å; T308-N397 PolarHBondContact O-ND2 2.77Å; T308-N397 PolarHBondContact O-OD1 3.42Å; T308-N397 PolarHBondContact OG1-ND2 3.1Å; K315-N397 VanDerWaalsContact CE-O 3.3Å; K315-N397 WeakPolarHBondContact CE-O 3.38Å; K315-N397 WeakPolarHBondContact CE-OD1 3Å; K315-N397 VanDerWaalsContact NZ-CG 3.31Å; K315-N397 PolarHBondContact NZ-ND2 3.12Å; K315-N397 PolarHBondContact NZ-OD1 2.87Å
398	S	98.5	Very high	97.7	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.014	9%	0.087	C	C	.	.	S	Bend	trans	-116.1	149	-180	-55.4	0	0	0	0	108.8	Y375 K376 V400	Y375-S398 WeakPolarHBondContact O-CB 3.37Å; Y375-S398 PolarHBondContact O-OG 3.11Å; K376-S398 CarbonylContact O-C 3.48Å; K376-S398 WeakPolarHBondContact O-CB 3.24Å; S398-V400 PolarHBondContact O-N 3.1Å
399	L	98.9	Very high	97.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	125.2	176.4	176.4	64.4	0	0	0	109.4	W312 K376 Y377 Q378 L401 V422 A438 A445 I448 A449	W312-L399 HydrophobicContact CH2-CB 4.14Å; W312-L399 HydrophobicContact CZ3-CB 4.47Å; K376-L399 PolarHBondContact O-N 2.98Å; Y377-L399 CarbonylContact C-O 3.45Å; Y377-L399 WeakPolarHBondContact CA-O 3.46Å; Y377-L399 HydrophobicContact CD1-CB 4.17Å; Y377-L399 HydrophobicContact CD1-CD2 4.17Å; Q378-L399 PolarHBondContact N-O 2.88Å; L399-L401 HydrophobicContact CD2-CD2 4.18Å; L399-L401 HydrophobicContact CG-CD2 4.39Å; L399-V422 HydrophobicContact CD1-CG2 4.16Å; L399-V422 HydrophobicContact CD2-CG2 4.04Å; L399-V422 HydrophobicContact CG-CG2 4.48Å; L399-A438 HydrophobicContact CD2-CB 3.85Å; L399-A445 HydrophobicContact CD2-CB 3.84Å; L399-I448 HydrophobicContact CD1-CB 3.85Å; L399-I448 HydrophobicContact CD1-CG2 3.49Å; L399-I448 VanDerWaalsContact CD1-CG2 3.49Å; L399-A449 HydrophobicContact CB-CB 4.05Å; L399-A449 HydrophobicContact CD1-CB 4.49Å
400	V	98.9	Very high	97.9	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.012	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	126.3	175.1	-174.1	0	0	0	0	110.2	Q378 N380 F390 L393 M394 S398 K402 Y421 V422	Q378-V400 HydrophobicContact CB-CG2 4.45Å; Q378-V400 WeakPolarHBondContact O-CA 3.21Å; N380-V400 HydrophobicContact CB-CG1 3.83Å; F390-V400 HydrophobicContact CD2-CG1 3.89Å; F390-V400 HydrophobicContact CE2-CB 4.41Å; F390-V400 HydrophobicContact CE2-CG1 3.69Å; L393-V400 HydrophobicContact CB-CG2 3.85Å; M394-V400 HydrophobicContact CG-CG2 4.26Å; M394-V400 HydrophobicContact SD-CB 3.78Å; M394-V400 HydrophobicContact SD-CG1 4.36Å; M394-V400 HydrophobicContact SD-CG2 3.56Å; M394-V400 VanDerWaalsContact SD-CG2 3.56Å; S398-V400 PolarHBondContact O-N 3.1Å; V400-K402 HydrophobicContact CG1-CB 4.49Å; V400-Y421 WeakPolarHBondContact O-CB 3.36Å; V400-V422 PolarHBondContact O-N 2.91Å
401	L	98.9	Very high	97.9	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	93.6	170	-56.5	-179.4	0	0	0	107.5	Q378 V379 N380 L399 V422 V424 L431 I435	Q378-L401 PolarHBondContact O-N 2.78Å; V379-L401 HydrophobicContact CG2-CD1 4.26Å; N380-L401 PolarHBondContact N-O 2.9Å; L399-L401 HydrophobicContact CD2-CD2 4.18Å; L399-L401 HydrophobicContact CG-CD2 4.39Å; L401-V422 CarbonylContact C-O 3.57Å; L401-V422 WeakPolarHBondContact CA-O 3.35Å; L401-V422 HydrophobicContact CD2-CB 3.68Å; L401-V422 HydrophobicContact CD2-CG1 3.9Å; L401-V422 HydrophobicContact CD2-CG2 4.42Å; L401-V424 HydrophobicContact CB-CG2 3.93Å; L401-L431 HydrophobicContact CB-CD1 4.44Å; L401-L431 HydrophobicContact CD1-CD1 3.97Å; L401-I435 HydrophobicContact CD1-CD1 4.23Å; L401-I435 HydrophobicContact CD1-CG1 3.4Å
402	K	98.7	Very high	97.9	Very high	12 Å²	12	15.8 Å²	15.8	5%	0.052	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	126.8	-172.8	-169.5	-167.4	175.8	-71.8	0	110.4	F390 V400 D404 Y412 Y421 V422 S423 V424	F390-K402 HydrophobicContact CD2-CD 4.38Å; F390-K402 HydrophobicContact CD2-CG 4.31Å; F390-K402 HydrophobicContact CE1-CD 4.18Å; F390-K402 HydrophobicContact CE2-CB 4.14Å; F390-K402 HydrophobicContact CE2-CD 3.76Å; F390-K402 HydrophobicContact CE2-CG 3.94Å; F390-K402 HydrophobicContact CZ-CD 3.65Å; F390-K402 HydrophobicContact CZ-CG 4.35Å; V400-K402 HydrophobicContact CG1-CB 4.49Å; K402-D404 PolarHBondContact O-N 3.5Å; K402-Y412 VanDerWaalsContact CE-CE2 3.45Å; K402-Y421 HydrophobicContact CB-CD2 3.45Å; K402-Y421 VanDerWaalsContact CB-CD2 3.45Å; K402-Y421 HydrophobicContact CB-CE2 3.75Å; K402-Y421 HydrophobicContact CB-CG 4.15Å; K402-Y421 HydrophobicContact CD-CD2 4.16Å; K402-Y421 HydrophobicContact CD-CE1 4.33Å; K402-Y421 HydrophobicContact CD-CE2 3.82Å; K402-Y421 HydrophobicContact CG-CD2 4.43Å; K402-Y421 HydrophobicContact CG-CE2 4.36Å; K402-V422 PolarHBondContact N-O 2.91Å; K402-S423 CarbonylContact O-C 3.52Å; K402-S423 WeakPolarHBondContact O-CA 3.23Å; K402-V424 PolarHBondContact O-N 2.99Å
403	Q	98.1	Very high	97.7	Very high	3 Å²	3	17.9 Å²	17.9	1%	0.014	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	132.8	169.2	-170.7	-172.2	23.9	0	0	110.7	N380 V381 S405 V424 R426 L428	N380-Q403 WeakPolarHBondContact O-CB 3.17Å; N380-Q403 PolarHBondContact O-N 2.54Å; V381-Q403 HydrophobicContact CG2-CB 4.39Å; Q403-S405 PolarHBondContact O-N 3.19Å; Q403-V424 CarbonylContact C-O 3.54Å; Q403-R426 PolarHBondContact NE2-O 2.92Å; Q403-L428 HydrophobicContact CG-CD2 4.23Å
404	D	97.4	Very high	97.6	Very high	94 Å²	94	20.5 Å²	20.5	50%	0.503	12%	0.117	S	C	.	.	P	Polyproline II helix	trans	-65.7	121.7	167.9	-177	26.7	0	0	0	109	K402 V424 R426	K402-D404 PolarHBondContact O-N 3.5Å; D404-V424 WeakPolarHBondContact CB-O 3.15Å; D404-V424 PolarHBondContact N-O 2.71Å; D404-R426 WeakPolarHBondContact O-CA 3.29Å; D404-R426 WeakPolarHBondContact O-CB 3.12Å
405	S	95.8	Very high	97.6	Very high	23 Å²	23	20.8 Å²	20.8	16%	0.161	12%	0.118	C	C	.	.			trans	-151.7	145.3	-169	-179.1	0	0	0	0	111.1	D382 Q403 Y407	D382-S405 WeakPolarHBondContact OD2-CB 3.28Å; D382-S405 PolarHBondContact OD2-OG 3Å; Q403-S405 PolarHBondContact O-N 3.19Å; S405-Y407 PolarHBondContact O-N 2.81Å; S405-Y407 PolarHBondContact OG-N 3.44Å
406	Q	96.7	Very high	97.6	Very high	45 Å²	45	27.6 Å²	27.6	21%	0.21	15%	0.148	C	C	.	.	S	Bend	trans	-67.4	-19.3	169.3	65.7	-173	76.9	0	0	113.5	S273 T274 D275	S273-Q406 WeakPolarHBondContact CA-O 3.36Å; S273-Q406 WeakPolarHBondContact OG-CG 3.08Å; S273-Q406 PolarHBondContact OG-NE2 3.02Å; S273-Q406 VanDerWaalsContact OG-NE2 3.08Å; S273-Q406 PolarHBondContact OG-O 3.13Å; T274-Q406 PolarHBondContact N-O 3.18Å; T274-Q406 VanDerWaalsContact N-O 3.09Å; T274-Q406 WeakPolarHBondContact OG1-CB 3.43Å; D275-Q406 PolarHBondContact OD2-NE2 3.19Å
407	Y	98.3	Very high	97.7	Very high	20 Å²	20	30.3 Å²	30.3	8%	0.078	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	139.1	-176.9	-64.1	-72	0	0	0	111.6	W255 P256 G272 V385 S405	W255-Y407 HydrophobicContact CE3-CE1 4.26Å; W255-Y407 HydrophobicContact CZ3-CE1 4.32Å; W255-Y407 HydrophobicContact CZ3-CE2 4.41Å; W255-Y407 AromaticContact CZ3-CZ 3.73Å; W255-Y407 VanDerWaalsContact CZ3-OH 3.24Å; W255-Y407 WeakPolarHBondContact CZ3-OH 3.41Å; P256-Y407 HydrophobicContact CG-CE1 4.26Å; G272-Y407 WeakPolarHBondContact O-CA 3.47Å; V385-Y407 HydrophobicContact CB-CD1 3.98Å; V385-Y407 HydrophobicContact CB-CE1 4.36Å; V385-Y407 HydrophobicContact CB-CG 4.22Å; V385-Y407 HydrophobicContact CG1-CD1 4.05Å; V385-Y407 HydrophobicContact CG1-CE1 3.95Å; S405-Y407 PolarHBondContact O-N 2.81Å; S405-Y407 PolarHBondContact OG-N 3.44Å
408	Y	98.1	Very high	97.8	Very high	40 Å²	40	31.3 Å²	31.3	16%	0.157	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	152.4	179.4	60.8	-93.5	0	0	0	112.7	Q175 C271 G272 S273 V280	Q175-Y408 VanDerWaalsContact NE2-CE2 3.26Å; C271-Y408 PolarHBondContact SG-O 3.01Å; G272-Y408 PolarHBondContact N-O 3.2Å; G272-Y408 PolarHBondContact O-N 3.41Å; S273-Y408 VanDerWaalsContact C-CE1 3.44Å; V280-Y408 HydrophobicContact CB-CE2 4.37Å; V280-Y408 HydrophobicContact CG2-CD2 4.09Å; V280-Y408 HydrophobicContact CG2-CE2 3.44Å; V280-Y408 VanDerWaalsContact CG2-CE2 3.44Å
409	E	98.1	Very high	97.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.203	C	C	.	.			trans	-101.2	168.1	163.8	-57.8	-179.7	-116.2	0	0	109.8	T283 A386 Y388 P391 F411 Y412	T283-E409 HydrophobicContact CG2-CB 4.5Å; T283-E409 HydrophobicContact CG2-CG 3.78Å; T283-E409 WeakPolarHBondContact CG2-OE2 3.33Å; T283-E409 PolarHBondContact OG1-OE2 3.43Å; T283-E409 VanDerWaalsContact OG1-OE2 3.13Å; A386-E409 HydrophobicContact CB-CG 4.22Å; Y388-E409 HydrophobicContact CD1-CG 4.22Å; Y388-E409 HydrophobicContact CE1-CG 4.35Å; P391-E409 WeakPolarHBondContact CD-OE1 3.42Å; E409-F411 HydrophobicContact CB-CD1 4.16Å; E409-F411 HydrophobicContact CB-CE1 4.01Å; E409-F411 PolarHBondContact O-N 3.36Å; E409-Y412 HydrophobicContact CB-CD1 3.7Å; E409-Y412 HydrophobicContact CB-CE1 3.51Å; E409-Y412 HydrophobicContact CG-CD1 4.32Å; E409-Y412 HydrophobicContact CG-CE1 3.62Å; E409-Y412 WeakPolarHBondContact O-CB 3.09Å; E409-Y412 PolarHBondContact O-N 3.17Å; E409-Y412 WeakPolarHBondContact OE1-CE1 3.28Å; E409-Y412 PolarHBondContact OE1-OH 3.08Å
410	H	97.9	Very high	97.8	Very high	10 Å²	10	35 Å²	35	5%	0.046	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-29.5	-174.4	70.5	-69.8	0	0	0	116.6	Q175 V280 P282 Y468	Q175-H410 WeakPolarHBondContact CB-O 3.31Å; V280-H410 HydrophobicContact CG1-CB 4.15Å; P282-H410 WeakPolarHBondContact CA-ND1 3.45Å; H410-Y468 HydrophobicContact CB-CE1 3.95Å; H410-Y468 HydrophobicContact CB-CE2 3.9Å
411	F	97.5	Very high	97.8	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.018	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-7.4	-175.8	71.9	-81.9	0	0	0	114	F390 P391 E409 G413 H414 L415 L460	F390-F411 HydrophobicContact CD1-CE2 4.04Å; F390-F411 AromaticContact CD1-CZ 3.76Å; F390-F411 HydrophobicContact CD1-CZ 3.76Å; F390-F411 AromaticContact CE1-CE2 3.99Å; F390-F411 HydrophobicContact CE1-CE2 3.99Å; F390-F411 HydrophobicContact CE1-CZ 4.18Å; P391-F411 HydrophobicContact CB-CE1 3.97Å; P391-F411 HydrophobicContact CB-CZ 3.73Å; P391-F411 HydrophobicContact CG-CE1 4.28Å; P391-F411 HydrophobicContact CG-CZ 4.27Å; E409-F411 HydrophobicContact CB-CD1 4.16Å; E409-F411 HydrophobicContact CB-CE1 4.01Å; E409-F411 PolarHBondContact O-N 3.36Å; F411-G413 VanDerWaalsContact C-N 3.25Å; F411-G413 PolarHBondContact O-N 2.7Å; F411-H414 WeakPolarHBondContact O-CB 3.38Å; F411-H414 PolarHBondContact O-N 3.19Å; F411-H414 VanDerWaalsContact O-N 3.07Å; F411-L415 HydrophobicContact CD2-CD1 3.79Å; F411-L415 HydrophobicContact CD2-CG 4.38Å; F411-L415 HydrophobicContact CE2-CD1 3.56Å; F411-L460 HydrophobicContact CD1-CD2 3.81Å; F411-L460 HydrophobicContact CD2-CD2 4.32Å; F411-L460 HydrophobicContact CE1-CD2 3.97Å; F411-L460 HydrophobicContact CE2-CD2 4.45Å; F411-L460 HydrophobicContact CG-CD2 3.99Å; F411-L460 HydrophobicContact CZ-CD1 4.5Å; F411-L460 HydrophobicContact CZ-CD2 4.28Å
412	Y	97.5	Very high	97.8	Very high	19 Å²	19	37 Å²	37	8%	0.075	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-60.9	-35.5	-170.7	-82.2	30.8	0	0	0	112	A386 F390 K402 E409 H414 L415	A386-Y412 HydrophobicContact CB-CE2 4.41Å; F390-Y412 HydrophobicContact CB-CE1 4.47Å; F390-Y412 VanDerWaalsContact CB-OH 3.31Å; F390-Y412 WeakPolarHBondContact CB-OH 3.26Å; F390-Y412 AromaticContact CD1-CD1 3.94Å; F390-Y412 HydrophobicContact CD1-CD1 3.94Å; F390-Y412 AromaticContact CD1-CE1 3.24Å; F390-Y412 HydrophobicContact CD1-CE1 3.24Å; F390-Y412 HydrophobicContact CD1-CE2 4.21Å; F390-Y412 AromaticContact CD1-CZ 3.37Å; F390-Y412 WeakPolarHBondContact CD1-OH 3.01Å; F390-Y412 HydrophobicContact CE1-CD1 4.02Å; F390-Y412 AromaticContact CE1-CE1 3.78Å; F390-Y412 HydrophobicContact CE1-CE1 3.78Å; F390-Y412 HydrophobicContact CE1-CE2 4.49Å; F390-Y412 HydrophobicContact CE1-CG 4.49Å; F390-Y412 HydrophobicContact CG-CE1 4.25Å; K402-Y412 VanDerWaalsContact CE-CE2 3.45Å; E409-Y412 HydrophobicContact CB-CD1 3.7Å; E409-Y412 HydrophobicContact CB-CE1 3.51Å; E409-Y412 HydrophobicContact CG-CD1 4.32Å; E409-Y412 HydrophobicContact CG-CE1 3.62Å; E409-Y412 WeakPolarHBondContact O-CB 3.09Å; E409-Y412 PolarHBondContact O-N 3.17Å; E409-Y412 WeakPolarHBondContact OE1-CE1 3.28Å; E409-Y412 PolarHBondContact OE1-OH 3.08Å; Y412-H414 PolarHBondContact O-N 3.18Å; Y412-H414 VanDerWaalsContact O-N 3.13Å; Y412-L415 PolarHBondContact O-N 2.64Å
413	G	95.9	Very high	97.8	Very high	64 Å²	64	38.2 Å²	38.2	66%	0.66	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-61.9	-18	178.7	0	0	0	0	0	114.8	F411	F411-G413 VanDerWaalsContact C-N 3.25Å; F411-G413 PolarHBondContact O-N 2.7Å
414	H	96.8	Very high	97.8	Very high	57 Å²	57	38.2 Å²	38.2	26%	0.264	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-82.8	-16.2	173.9	-65.6	-91.1	0	0	0	112.9	E173 F411 Y412 L459	E173-H414 IonicContact OE2-NE2 3.17Å; F411-H414 WeakPolarHBondContact O-CB 3.38Å; F411-H414 PolarHBondContact O-N 3.19Å; F411-H414 VanDerWaalsContact O-N 3.07Å; Y412-H414 PolarHBondContact O-N 3.18Å; Y412-H414 VanDerWaalsContact O-N 3.13Å; H414-L459 HydrophobicContact CB-CD1 3.57Å; H414-L459 HydrophobicContact CB-CD2 3.89Å; H414-L459 HydrophobicContact CB-CG 4.39Å
415	L	98.1	Very high	97.9	Very high	11 Å²	11	40.9 Å²	40.9	6%	0.058	23%	0.234	C	C	.	.			trans	-97.6	131.7	-175.8	-61.6	177.7	0	0	0	111.8	F390 M394 F411 Y412 H420 Y421 A455 L459	F390-L415 HydrophobicContact CE1-CD1 3.6Å; F390-L415 HydrophobicContact CZ-CD1 3.84Å; M394-L415 HydrophobicContact CE-CD1 4.04Å; M394-L415 HydrophobicContact CE-CD2 4.27Å; M394-L415 HydrophobicContact CG-CD1 4.47Å; F411-L415 HydrophobicContact CD2-CD1 3.79Å; F411-L415 HydrophobicContact CD2-CG 4.38Å; F411-L415 HydrophobicContact CE2-CD1 3.56Å; Y412-L415 PolarHBondContact O-N 2.64Å; L415-H420 WeakPolarHBondContact CA-ND1 3.33Å; L415-H420 HydrophobicContact CD2-CB 4.08Å; L415-Y421 HydrophobicContact CB-CD1 4.26Å; L415-Y421 HydrophobicContact CB-CE1 4.02Å; L415-A455 HydrophobicContact CD2-CB 3.79Å; L415-L459 HydrophobicContact CD2-CD1 4.06Å; L415-L459 HydrophobicContact CG-CD1 4.43Å
416	K	98.3	Very high	97.9	Very high	143 Å²	143	45.2 Å²	45.2	62%	0.622	25%	0.247	S	C	*	.			trans	-112.3	127.6	-175.6	-62	179.9	-176.4	178.4	0	110.6	A419 H420	K416-A419 HydrophobicContact CB-CB 4.09Å; K416-A419 PolarHBondContact O-N 2.67Å; K416-H420 PolarHBondContact N-ND1 3.04Å; K416-H420 VanDerWaalsContact N-ND1 3.11Å; K416-H420 PolarHBondContact O-N 2.92Å
417	A	98.3	Very high	97.9	Very high	56 Å²	56	47.7 Å²	47.7	46%	0.463	26%	0.261	S	S	.	.	B	Isolated β-bridge	trans	-58	140.8	170.6	0	0	0	0	0	110.7	A419 Y421	A417-A419 PolarHBondContact O-N 3.25Å; A417-Y421 CarbonylContact C-O 3.57Å; A417-Y421 HydrophobicContact CB-CE2 3.78Å
418	G	97.9	Very high	97.9	Very high	51 Å²	51	46.9 Å²	46.9	53%	0.526	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.2	-23	-175.1	0	0	0	0	0	114.5	Y421 I448	G418-Y421 PolarHBondContact N-O 2.9Å; G418-I448 WeakPolarHBondContact O-CD1 3.36Å; G418-I448 WeakPolarHBondContact O-CG1 3.32Å
419	A	98.5	Very high	97.9	Very high	42 Å²	42	48.3 Å²	48.3	35%	0.347	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-41.1	177.1	0	0	0	0	0	112.9	K416 A417 A451	K416-A419 HydrophobicContact CB-CB 4.09Å; K416-A419 PolarHBondContact O-N 2.67Å; A417-A419 PolarHBondContact O-N 3.25Å; A419-A451 WeakPolarHBondContact O-CB 3.48Å
420	H	98.8	Very high	97.9	Very high	39 Å²	39	49 Å²	49	18%	0.181	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-24.7	-174.9	-57.4	151.5	0	0	0	113.1	M394 L415 K416 G452	M394-H420 HydrophobicContact CE-CB 4.25Å; M394-H420 WeakPolarHBondContact CE-O 3.34Å; L415-H420 WeakPolarHBondContact CA-ND1 3.33Å; L415-H420 HydrophobicContact CD2-CB 4.08Å; K416-H420 PolarHBondContact N-ND1 3.04Å; K416-H420 VanDerWaalsContact N-ND1 3.11Å; K416-H420 PolarHBondContact O-N 2.92Å; H420-G452 WeakPolarHBondContact O-CA 3.27Å
421	Y	98.9	Very high	98	Very high	32 Å²	32	48.5 Å²	48.5	13%	0.125	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-154.7	163.7	178.4	66.3	-93.2	0	0	0	109.2	F390 V400 K402 L415 A417 G418	F390-Y421 HydrophobicContact CZ-CD1 4.32Å; V400-Y421 WeakPolarHBondContact O-CB 3.36Å; K402-Y421 HydrophobicContact CB-CD2 3.45Å; K402-Y421 VanDerWaalsContact CB-CD2 3.45Å; K402-Y421 HydrophobicContact CB-CE2 3.75Å; K402-Y421 HydrophobicContact CB-CG 4.15Å; K402-Y421 HydrophobicContact CD-CD2 4.16Å; K402-Y421 HydrophobicContact CD-CE1 4.33Å; K402-Y421 HydrophobicContact CD-CE2 3.82Å; K402-Y421 HydrophobicContact CG-CD2 4.43Å; K402-Y421 HydrophobicContact CG-CE2 4.36Å; L415-Y421 HydrophobicContact CB-CD1 4.26Å; L415-Y421 HydrophobicContact CB-CE1 4.02Å; A417-Y421 CarbonylContact C-O 3.57Å; A417-Y421 HydrophobicContact CB-CE2 3.78Å; G418-Y421 PolarHBondContact N-O 2.9Å
422	V	98.9	Very high	98	Very high	11 Å²	11	50.1 Å²	50.1	7%	0.067	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	126.9	171.9	170.1	0	0	0	0	109.2	L399 V400 L401 K402 K434 W437 I448	L399-V422 HydrophobicContact CD1-CG2 4.16Å; L399-V422 HydrophobicContact CD2-CG2 4.04Å; L399-V422 HydrophobicContact CG-CG2 4.48Å; V400-V422 PolarHBondContact O-N 2.91Å; L401-V422 CarbonylContact C-O 3.57Å; L401-V422 WeakPolarHBondContact CA-O 3.35Å; L401-V422 HydrophobicContact CD2-CB 3.68Å; L401-V422 HydrophobicContact CD2-CG1 3.9Å; L401-V422 HydrophobicContact CD2-CG2 4.42Å; K402-V422 PolarHBondContact N-O 2.91Å; V422-K434 HydrophobicContact CG1-CB 4.11Å; V422-K434 HydrophobicContact CG1-CD 3.91Å; V422-K434 HydrophobicContact CG1-CG 4.01Å; V422-W437 HydrophobicContact CG2-CE3 4.49Å; V422-W437 HydrophobicContact CG2-CH2 4.47Å; V422-W437 HydrophobicContact CG2-CZ3 3.77Å; V422-I448 HydrophobicContact CG2-CD1 4.31Å
423	S	98.5	Very high	98.1	Very high	39 Å²	39	55.4 Å²	55.4	27%	0.273	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	139.1	176.7	-160.6	0	0	0	0	110.9	K402	K402-S423 CarbonylContact O-C 3.52Å; K402-S423 WeakPolarHBondContact O-CA 3.23Å
424	V	98.6	Very high	98.2	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.018	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	139.4	174.7	175.8	0	0	0	0	107.7	L401 K402 Q403 D404 L428 D430 L431 K434	L401-V424 HydrophobicContact CB-CG2 3.93Å; K402-V424 PolarHBondContact O-N 2.99Å; Q403-V424 CarbonylContact C-O 3.54Å; D404-V424 WeakPolarHBondContact CB-O 3.15Å; D404-V424 PolarHBondContact N-O 2.71Å; V424-L428 HydrophobicContact CG1-CD2 3.91Å; V424-D430 WeakPolarHBondContact CG1-OD1 3.49Å; V424-L431 HydrophobicContact CG1-CB 3.85Å; V424-L431 HydrophobicContact CG1-CD1 4.13Å; V424-L431 HydrophobicContact CG2-CD1 3.88Å; V424-K434 HydrophobicContact CG2-CG 4.33Å
425	R	98.4	Very high	98.3	Very high	149 Å²	149	52.5 Å²	52.5	56%	0.562	28%	0.278	S	S	*	.			trans	-56.4	150.5	178.9	-70.7	172	-176.6	-176.4	3.6	111.4	N427 L428 S429 D430	R425-N427 PolarHBondContact O-N 3.35Å; R425-N427 VanDerWaalsContact O-N 3.13Å; R425-L428 WeakPolarHBondContact O-CA 3.18Å; R425-L428 PolarHBondContact O-N 3.15Å; R425-S429 VanDerWaalsContact CD-OG 3.3Å; R425-S429 WeakPolarHBondContact CD-OG 3.39Å; R425-D430 WeakPolarHBondContact CB-OD1 3.4Å; R425-D430 PolarHBondContact N-OD1 3.06Å
426	R	96.6	Very high	98.4	Very high	115 Å²	115	55.2 Å²	55.2	43%	0.434	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-41.1	179.5	-169.3	173.9	-174.1	-101.6	13.6	113.1	Q403 D404 L428	Q403-R426 PolarHBondContact NE2-O 2.92Å; D404-R426 WeakPolarHBondContact O-CA 3.29Å; D404-R426 WeakPolarHBondContact O-CB 3.12Å; R426-L428 VanDerWaalsContact C-N 3.3Å; R426-L428 PolarHBondContact O-N 2.98Å
427	N	96.6	Very high	98.4	Very high	97 Å²	97	52 Å²	52	52%	0.519	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	4.6	179.3	68	-1.1	0	0	0	114.6	R425 S429	R425-N427 PolarHBondContact O-N 3.35Å; R425-N427 VanDerWaalsContact O-N 3.13Å; N427-S429 PolarHBondContact O-N 3.36Å; N427-S429 VanDerWaalsContact OD1-CB 3.32Å; N427-S429 WeakPolarHBondContact OD1-CB 3.2Å; N427-S429 PolarHBondContact OD1-N 3.41Å; N427-S429 VanDerWaalsContact OD1-N 3.08Å; N427-S429 PolarHBondContact OD1-OG 3.08Å
428	L	98.3	Very high	98.4	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.016	25%	0.252	C	S	.	.			trans	63.5	14.6	-179.6	-46.2	176.3	0	0	0	115.5	E329 L333 L336 V381 Q403 V424 R425 R426 D430 L431	E329-L428 HydrophobicContact CB-CD1 3.97Å; E329-L428 HydrophobicContact CB-CG 4.39Å; E329-L428 VanDerWaalsContact O-CD1 3.24Å; E329-L428 WeakPolarHBondContact O-CD1 3.45Å; L333-L428 HydrophobicContact CD2-CD1 3.64Å; L333-L428 HydrophobicContact CG-CD1 3.71Å; L336-L428 HydrophobicContact CD1-CB 4.25Å; V381-L428 HydrophobicContact CG2-CD1 4.31Å; V381-L428 HydrophobicContact CG2-CD2 3.81Å; Q403-L428 HydrophobicContact CG-CD2 4.23Å; V424-L428 HydrophobicContact CG1-CD2 3.91Å; R425-L428 WeakPolarHBondContact O-CA 3.18Å; R425-L428 PolarHBondContact O-N 3.15Å; R426-L428 VanDerWaalsContact C-N 3.3Å; R426-L428 PolarHBondContact O-N 2.98Å; L428-D430 PolarHBondContact O-N 2.7Å; L428-D430 VanDerWaalsContact O-N 3.13Å; L428-L431 HydrophobicContact CB-CB 4.3Å; L428-L431 WeakPolarHBondContact O-CB 3.33Å; L428-L431 PolarHBondContact O-N 3.33Å; L428-L431 VanDerWaalsContact O-N 3.08Å
429	S	98.1	Very high	98.4	Very high	70 Å²	70	50.2 Å²	50.2	49%	0.49	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-24.6	-173.8	69.3	0	0	0	0	113.9	R425 N427	R425-S429 VanDerWaalsContact CD-OG 3.3Å; R425-S429 WeakPolarHBondContact CD-OG 3.39Å; N427-S429 PolarHBondContact O-N 3.36Å; N427-S429 VanDerWaalsContact OD1-CB 3.32Å; N427-S429 WeakPolarHBondContact OD1-CB 3.2Å; N427-S429 PolarHBondContact OD1-N 3.41Å; N427-S429 VanDerWaalsContact OD1-N 3.08Å; N427-S429 PolarHBondContact OD1-OG 3.08Å
430	D	98.5	Very high	98.4	Very high	13 Å²	13	54.5 Å²	54.5	7%	0.07	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105	4.8	179.9	65.8	-24.2	0	0	0	113.1	V424 R425 L428 L432 E433 K434	V424-D430 WeakPolarHBondContact CG1-OD1 3.49Å; R425-D430 WeakPolarHBondContact CB-OD1 3.4Å; R425-D430 PolarHBondContact N-OD1 3.06Å; L428-D430 PolarHBondContact O-N 2.7Å; L428-D430 VanDerWaalsContact O-N 3.13Å; D430-L432 PolarHBondContact O-N 3.1Å; D430-E433 WeakPolarHBondContact O-CB 3.47Å; D430-E433 PolarHBondContact O-N 3.47Å; D430-K434 WeakPolarHBondContact O-CG 3.41Å; D430-K434 PolarHBondContact O-N 3.01Å; D430-K434 WeakPolarHBondContact OD2-CE 3.05Å
431	L	98.8	Very high	98.4	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-58.4	-48.7	-174.5	175.4	62.8	0	0	0	112.8	L333 L336 L344 V379 L401 V424 L428 E433 K434 I435	L333-L431 HydrophobicContact CD2-CD2 3.23Å; L336-L431 HydrophobicContact CD1-CB 4.49Å; L336-L431 HydrophobicContact CD1-CD2 4.07Å; L344-L431 HydrophobicContact CD2-CD2 3.98Å; V379-L431 HydrophobicContact CG1-CD1 3.98Å; V379-L431 HydrophobicContact CG1-CD2 4.13Å; V379-L431 HydrophobicContact CG2-CD1 4.12Å; L401-L431 HydrophobicContact CB-CD1 4.44Å; L401-L431 HydrophobicContact CD1-CD1 3.97Å; V424-L431 HydrophobicContact CG1-CB 3.85Å; V424-L431 HydrophobicContact CG1-CD1 4.13Å; V424-L431 HydrophobicContact CG2-CD1 3.88Å; L428-L431 HydrophobicContact CB-CB 4.3Å; L428-L431 WeakPolarHBondContact O-CB 3.33Å; L428-L431 PolarHBondContact O-N 3.33Å; L428-L431 VanDerWaalsContact O-N 3.08Å; L431-E433 VanDerWaalsContact C-N 3.31Å; L431-E433 PolarHBondContact O-N 3.35Å; L431-K434 PolarHBondContact O-N 3.15Å; L431-I435 HydrophobicContact CD1-CD1 4.11Å; L431-I435 HydrophobicContact CD1-CG1 4.38Å; L431-I435 HydrophobicContact CG-CD1 4.05Å; L431-I435 WeakPolarHBondContact O-CG1 3.47Å; L431-I435 PolarHBondContact O-N 2.85Å
432	L	98.7	Very high	98.4	Very high	39 Å²	39	56.1 Å²	56.1	20%	0.204	27%	0.267	C	S	.	.	H	α-helix	trans	-66.2	-36.7	-178.4	-62.8	-179.5	0	0	0	111.5	L336 L343 L344 D430 I435 Q436	L336-L432 HydrophobicContact CD2-CD1 4.11Å; L343-L432 HydrophobicContact CB-CD2 4.35Å; L343-L432 HydrophobicContact CD1-CB 4.47Å; L344-L432 HydrophobicContact CB-CD2 4.17Å; L344-L432 HydrophobicContact CD2-CD2 4.37Å; D430-L432 PolarHBondContact O-N 3.1Å; L432-I435 HydrophobicContact CD2-CD1 4.43Å; L432-I435 PolarHBondContact O-N 2.88Å; L432-Q436 WeakPolarHBondContact O-CB 3.28Å; L432-Q436 PolarHBondContact O-N 2.89Å
433	E	98.6	Very high	98.4	Very high	130 Å²	130	59.5 Å²	59.5	61%	0.607	30%	0.296	S	S	*	.	H	α-helix	trans	-62	-44.8	172.8	-174.5	-163.6	140.5	0	0	110.9	D430 L431 I435 Q436 W437	D430-E433 WeakPolarHBondContact O-CB 3.47Å; D430-E433 PolarHBondContact O-N 3.47Å; L431-E433 VanDerWaalsContact C-N 3.31Å; L431-E433 PolarHBondContact O-N 3.35Å; E433-I435 PolarHBondContact O-N 3.04Å; E433-Q436 PolarHBondContact O-N 3.34Å; E433-W437 WeakPolarHBondContact O-CB 3.49Å; E433-W437 PolarHBondContact O-N 3.48Å
434	K	98.8	Very high	98.4	Very high	59 Å²	59	62.4 Å²	62.4	26%	0.257	31%	0.305	S	S	.	.	H	α-helix	trans	-64.1	-37.8	176.7	-66.3	-50.1	-175.4	-168.1	0	112.9	V422 V424 D430 L431 A438	V422-K434 HydrophobicContact CG1-CB 4.11Å; V422-K434 HydrophobicContact CG1-CD 3.91Å; V422-K434 HydrophobicContact CG1-CG 4.01Å; V424-K434 HydrophobicContact CG2-CG 4.33Å; D430-K434 WeakPolarHBondContact O-CG 3.41Å; D430-K434 PolarHBondContact O-N 3.01Å; D430-K434 WeakPolarHBondContact OD2-CE 3.05Å; L431-K434 PolarHBondContact O-N 3.15Å; K434-A438 WeakPolarHBondContact O-CB 3.06Å; K434-A438 PolarHBondContact O-N 2.56Å
435	I	98.9	Very high	98.4	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-64.5	-45.8	173.9	-68	165.8	0	0	0	110.1	L343 L344 Y377 L401 L431 L432 E433 A438 K439	L343-I435 HydrophobicContact CB-CG2 4.18Å; L343-I435 HydrophobicContact CD2-CG2 4.38Å; L344-I435 HydrophobicContact CB-CD1 4.23Å; L344-I435 HydrophobicContact CD1-CD1 4.15Å; Y377-I435 HydrophobicContact CD2-CG2 4.03Å; Y377-I435 HydrophobicContact CE2-CG2 4.33Å; L401-I435 HydrophobicContact CD1-CD1 4.23Å; L401-I435 HydrophobicContact CD1-CG1 3.4Å; L431-I435 HydrophobicContact CD1-CD1 4.11Å; L431-I435 HydrophobicContact CD1-CG1 4.38Å; L431-I435 HydrophobicContact CG-CD1 4.05Å; L431-I435 WeakPolarHBondContact O-CG1 3.47Å; L431-I435 PolarHBondContact O-N 2.85Å; L432-I435 HydrophobicContact CD2-CD1 4.43Å; L432-I435 PolarHBondContact O-N 2.88Å; E433-I435 PolarHBondContact O-N 3.04Å; I435-A438 PolarHBondContact O-N 3.11Å; I435-K439 HydrophobicContact CG2-CD 4.33Å; I435-K439 WeakPolarHBondContact O-CG 3.35Å; I435-K439 PolarHBondContact O-N 2.9Å; I435-K439 VanDerWaalsContact O-N 3.09Å
436	Q	98.8	Very high	98.4	Very high	68 Å²	68	55.9 Å²	55.9	32%	0.318	28%	0.283	S	S	.	.	H	α-helix	trans	-62.4	-45.9	178.9	-174.5	59.3	32.7	0	0	111.4	L432 E433 A438 K439 E440	L432-Q436 WeakPolarHBondContact O-CB 3.28Å; L432-Q436 PolarHBondContact O-N 2.89Å; E433-Q436 PolarHBondContact O-N 3.34Å; Q436-A438 VanDerWaalsContact C-N 3.3Å; Q436-A438 PolarHBondContact O-N 3.19Å; Q436-K439 WeakPolarHBondContact O-CB 3.44Å; Q436-K439 PolarHBondContact O-N 3.02Å; Q436-E440 WeakPolarHBondContact CG-OE1 3.31Å; Q436-E440 PolarHBondContact NE2-OE1 3.1Å; Q436-E440 WeakPolarHBondContact O-CG 3.24Å; Q436-E440 PolarHBondContact O-N 3.34Å
437	W	98.8	Very high	98.5	Very high	76 Å²	76	55 Å²	55	29%	0.288	28%	0.284	S	S	.	.	H	α-helix	trans	-55.1	-44.8	173.3	172.4	85.7	0	0	0	111.8	V422 E433 K439 E440 N441 E444 I448	V422-W437 HydrophobicContact CG2-CE3 4.49Å; V422-W437 HydrophobicContact CG2-CH2 4.47Å; V422-W437 HydrophobicContact CG2-CZ3 3.77Å; E433-W437 WeakPolarHBondContact O-CB 3.49Å; E433-W437 PolarHBondContact O-N 3.48Å; W437-K439 VanDerWaalsContact C-N 3.26Å; W437-K439 PolarHBondContact O-N 3.35Å; W437-E440 PolarHBondContact O-N 3.26Å; W437-N441 HydrophobicContact CZ2-CB 4.28Å; W437-N441 PolarHBondContact NE1-ND2 3.25Å; W437-N441 WeakPolarHBondContact O-CB 3.38Å; W437-N441 PolarHBondContact O-N 3.38Å; W437-N441 PolarHBondContact O-ND2 3.23Å; W437-E444 HydrophobicContact CH2-CG 4.2Å; W437-E444 HydrophobicContact CZ2-CG 4.29Å; W437-I448 HydrophobicContact CH2-CD1 3.85Å; W437-I448 HydrophobicContact CZ3-CD1 4.43Å
438	A	98.8	Very high	98.6	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-68	-24.4	179.7	0	0	0	0	0	113.2	Y377 L399 K434 I435 Q436 A445	Y377-A438 HydrophobicContact CD1-CB 3.92Å; Y377-A438 HydrophobicContact CE1-CB 3.57Å; Y377-A438 PolarHBondContact OH-O 3.14Å; L399-A438 HydrophobicContact CD2-CB 3.85Å; K434-A438 WeakPolarHBondContact O-CB 3.06Å; K434-A438 PolarHBondContact O-N 2.56Å; I435-A438 PolarHBondContact O-N 3.11Å; Q436-A438 VanDerWaalsContact C-N 3.3Å; Q436-A438 PolarHBondContact O-N 3.19Å; A438-A445 HydrophobicContact CB-CB 4.07Å
439	K	98.6	Very high	98.7	Very high	70 Å²	70	51 Å²	51	30%	0.304	26%	0.263	S	S	.	.	H	α-helix	trans	-75.8	-40.6	172.3	-69.4	174.7	74.6	143.1	0	111.7	A317 L343 Y377 I435 Q436 W437 N441	A317-K439 HydrophobicContact CB-CG 4.46Å; A317-K439 WeakPolarHBondContact O-CE 3.23Å; A317-K439 PolarHBondContact O-NZ 3.29Å; L343-K439 HydrophobicContact CD2-CD 3.85Å; Y377-K439 HydrophobicContact CE2-CD 4.28Å; Y377-K439 HydrophobicContact CE2-CG 3.6Å; Y377-K439 WeakPolarHBondContact OH-CA 3.47Å; Y377-K439 VanDerWaalsContact OH-CG 3.25Å; Y377-K439 WeakPolarHBondContact OH-CG 3.34Å; Y377-K439 PolarHBondContact OH-N 3.28Å; I435-K439 HydrophobicContact CG2-CD 4.33Å; I435-K439 WeakPolarHBondContact O-CG 3.35Å; I435-K439 PolarHBondContact O-N 2.9Å; I435-K439 VanDerWaalsContact O-N 3.09Å; Q436-K439 WeakPolarHBondContact O-CB 3.44Å; Q436-K439 PolarHBondContact O-N 3.02Å; W437-K439 VanDerWaalsContact C-N 3.26Å; W437-K439 PolarHBondContact O-N 3.35Å; K439-N441 VanDerWaalsContact C-N 3.33Å
440	E	98.6	Very high	98.7	Very high	132 Å²	132	53.6 Å²	53.6	62%	0.617	26%	0.262	S	S	*	.	H	α-helix	trans	-73.6	-27.2	179.5	-69.9	168.5	-177.7	0	0	112.4	Q436 W437	Q436-E440 WeakPolarHBondContact CG-OE1 3.31Å; Q436-E440 PolarHBondContact NE2-OE1 3.1Å; Q436-E440 WeakPolarHBondContact O-CG 3.24Å; Q436-E440 PolarHBondContact O-N 3.34Å; W437-E440 PolarHBondContact O-N 3.26Å
441	N	98.7	Very high	98.7	Very high	56 Å²	56	54.5 Å²	54.5	30%	0.299	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	49.6	-178.8	-57.2	-83	0	0	0	110.9	W437 K439 A443 E444 A445	W437-N441 HydrophobicContact CZ2-CB 4.28Å; W437-N441 PolarHBondContact NE1-ND2 3.25Å; W437-N441 WeakPolarHBondContact O-CB 3.38Å; W437-N441 PolarHBondContact O-N 3.38Å; W437-N441 PolarHBondContact O-ND2 3.23Å; K439-N441 VanDerWaalsContact C-N 3.33Å; N441-A443 VanDerWaalsContact C-N 3.3Å; N441-A443 PolarHBondContact O-N 2.88Å; N441-E444 HydrophobicContact CB-CB 4.19Å; N441-E444 PolarHBondContact O-N 3.38Å; N441-E444 VanDerWaalsContact O-N 3.08Å; N441-A445 WeakPolarHBondContact O-CB 3.28Å; N441-A445 PolarHBondContact O-N 3.12Å
442	D	98.7	Very high	98.7	Very high	49 Å²	49	54.5 Å²	54.5	26%	0.262	27%	0.272	S	S	.	.	H	α-helix	trans	-56.9	-38.9	-169	-167.5	66.8	0	0	0	114.1	W312 K376 A446	W312-D442 PolarHBondContact NE1-OD1 3.41Å; W312-D442 PolarHBondContact NE1-OD2 3.14Å; K376-D442 IonicContact NZ-OD1 3.88Å; K376-D442 PolarHBondContact NZ-OD1 3.33Å; K376-D442 IonicContact NZ-OD2 3.16Å; K376-D442 PolarHBondContact NZ-OD2 3Å; K376-D442 VanDerWaalsContact NZ-OD2 3.08Å; D442-A446 WeakPolarHBondContact O-CB 3.37Å; D442-A446 PolarHBondContact O-N 3.11Å
443	A	98.5	Very high	98.7	Very high	81 Å²	81	53.3 Å²	53.3	67%	0.669	27%	0.265	S	S	*	.	H	α-helix	trans	-66.9	-42.1	178.1	0	0	0	0	0	112	N441 A446 E447	N441-A443 VanDerWaalsContact C-N 3.3Å; N441-A443 PolarHBondContact O-N 2.88Å; A443-A446 PolarHBondContact O-N 2.95Å; A443-E447 PolarHBondContact O-N 3.35Å
444	E	98.7	Very high	98.6	Very high	100 Å²	100	49.9 Å²	49.9	47%	0.467	26%	0.26	S	S	.	.	H	α-helix	trans	-67.7	-42.2	176.6	-171.7	177.6	172.1	0	0	111	W437 N441 A446 E447 I448	W437-E444 HydrophobicContact CH2-CG 4.2Å; W437-E444 HydrophobicContact CZ2-CG 4.29Å; N441-E444 HydrophobicContact CB-CB 4.19Å; N441-E444 PolarHBondContact O-N 3.38Å; N441-E444 VanDerWaalsContact O-N 3.08Å; E444-A446 VanDerWaalsContact C-N 3.31Å; E444-A446 PolarHBondContact O-N 2.56Å; E444-E447 WeakPolarHBondContact O-CB 3.38Å; E444-E447 PolarHBondContact O-N 2.8Å; E444-E447 VanDerWaalsContact O-N 3.14Å; E444-I448 HydrophobicContact CG-CD1 4.33Å; E444-I448 WeakPolarHBondContact O-CG1 3.01Å; E444-I448 PolarHBondContact O-N 3.29Å
445	A	98.8	Very high	98.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-58.6	-41.9	173.5	0	0	0	0	0	112.2	W312 L399 A438 N441 E447 A449	W312-A445 HydrophobicContact CH2-CB 4.22Å; W312-A445 HydrophobicContact CZ2-CB 4.06Å; L399-A445 HydrophobicContact CD2-CB 3.84Å; A438-A445 HydrophobicContact CB-CB 4.07Å; N441-A445 WeakPolarHBondContact O-CB 3.28Å; N441-A445 PolarHBondContact O-N 3.12Å; A445-E447 VanDerWaalsContact C-N 3.35Å; A445-A449 WeakPolarHBondContact O-CB 3.2Å; A445-A449 PolarHBondContact O-N 3.26Å
446	A	98.6	Very high	98.6	Very high	16 Å²	16	48.1 Å²	48.1	13%	0.132	26%	0.256	C	S	.	.	H	α-helix	trans	-65.5	-37.5	175.6	0	0	0	0	0	112.2	W312 D442 A443 E444 A449 R450	W312-A446 HydrophobicContact CD2-CB 3.81Å; W312-A446 HydrophobicContact CE3-CB 4.38Å; W312-A446 HydrophobicContact CG-CB 4.13Å; W312-A446 HydrophobicContact CH2-CB 4.41Å; W312-A446 HydrophobicContact CZ2-CB 3.85Å; D442-A446 WeakPolarHBondContact O-CB 3.37Å; D442-A446 PolarHBondContact O-N 3.11Å; A443-A446 PolarHBondContact O-N 2.95Å; E444-A446 VanDerWaalsContact C-N 3.31Å; E444-A446 PolarHBondContact O-N 2.56Å; A446-A449 PolarHBondContact O-N 3.31Å; A446-R450 WeakPolarHBondContact O-CB 3.03Å; A446-R450 PolarHBondContact O-N 3.21Å
447	E	98.6	Very high	98.5	Very high	97 Å²	97	45.6 Å²	45.6	45%	0.453	24%	0.243	S	C	.	.	H	α-helix	trans	-63.9	-50.4	176.8	-169.8	59.2	-138.2	0	0	111.4	A443 E444 A445 A449 R450 A451	A443-E447 PolarHBondContact O-N 3.35Å; E444-E447 WeakPolarHBondContact O-CB 3.38Å; E444-E447 PolarHBondContact O-N 2.8Å; E444-E447 VanDerWaalsContact O-N 3.14Å; A445-E447 VanDerWaalsContact C-N 3.35Å; E447-A449 VanDerWaalsContact C-N 3.3Å; E447-A449 PolarHBondContact O-N 2.85Å; E447-R450 PolarHBondContact O-N 3.22Å; E447-R450 VanDerWaalsContact O-N 3.13Å; E447-R450 IonicContact OE1-CZ 3.7Å; E447-R450 IonicContact OE1-NH1 3.01Å; E447-R450 PolarHBondContact OE1-NH1 3.05Å; E447-R450 IonicContact OE2-CZ 3.65Å; E447-R450 IonicContact OE2-NH1 3.88Å; E447-R450 PolarHBondContact OE2-NH1 3.29Å; E447-R450 IonicContact OE2-NH2 2.66Å; E447-R450 PolarHBondContact OE2-NH2 3.07Å; E447-A451 WeakPolarHBondContact O-CB 3.34Å; E447-A451 PolarHBondContact O-N 2.9Å
448	I	98.9	Very high	98.4	Very high	10 Å²	10	46.1 Å²	46.1	5%	0.051	25%	0.252	C	S	.	.	H	α-helix	trans	-59.3	-43.9	177.5	-64.2	169.9	0	0	0	110.3	L399 G418 V422 W437 E444 R450 A451 G452	L399-I448 HydrophobicContact CD1-CB 3.85Å; L399-I448 HydrophobicContact CD1-CG2 3.49Å; L399-I448 VanDerWaalsContact CD1-CG2 3.49Å; G418-I448 WeakPolarHBondContact O-CD1 3.36Å; G418-I448 WeakPolarHBondContact O-CG1 3.32Å; V422-I448 HydrophobicContact CG2-CD1 4.31Å; W437-I448 HydrophobicContact CH2-CD1 3.85Å; W437-I448 HydrophobicContact CZ3-CD1 4.43Å; E444-I448 HydrophobicContact CG-CD1 4.33Å; E444-I448 WeakPolarHBondContact O-CG1 3.01Å; E444-I448 PolarHBondContact O-N 3.29Å; I448-R450 VanDerWaalsContact C-N 3.34Å; I448-R450 PolarHBondContact O-N 2.73Å; I448-A451 PolarHBondContact O-N 3.47Å; I448-G452 PolarHBondContact O-N 2.79Å
449	A	98.7	Very high	98.4	Very high	5 Å²	5	47 Å²	47	4%	0.041	26%	0.256	C	S	.	.	H	α-helix	trans	-59.2	-44.5	176.5	0	0	0	0	0	111.9	W312 L399 A445 A446 E447 Q453	W312-A449 HydrophobicContact CH2-CB 4.47Å; W312-A449 HydrophobicContact CZ3-CB 3.93Å; L399-A449 HydrophobicContact CB-CB 4.05Å; L399-A449 HydrophobicContact CD1-CB 4.49Å; A445-A449 WeakPolarHBondContact O-CB 3.2Å; A445-A449 PolarHBondContact O-N 3.26Å; A446-A449 PolarHBondContact O-N 3.31Å; E447-A449 VanDerWaalsContact C-N 3.3Å; E447-A449 PolarHBondContact O-N 2.85Å; A449-Q453 WeakPolarHBondContact O-CB 3.47Å; A449-Q453 PolarHBondContact O-N 3.47Å
450	R	98.3	Very high	98.3	Very high	124 Å²	124	43.9 Å²	43.9	47%	0.468	24%	0.243	S	C	.	.	H	α-helix	trans	-68.5	-42.4	-179.9	-160.2	-176.8	-28.5	97.8	6.8	112	A446 E447 I448 Q453 A454	A446-R450 WeakPolarHBondContact O-CB 3.03Å; A446-R450 PolarHBondContact O-N 3.21Å; E447-R450 PolarHBondContact O-N 3.22Å; E447-R450 VanDerWaalsContact O-N 3.13Å; E447-R450 IonicContact OE1-CZ 3.7Å; E447-R450 IonicContact OE1-NH1 3.01Å; E447-R450 PolarHBondContact OE1-NH1 3.05Å; E447-R450 IonicContact OE2-CZ 3.65Å; E447-R450 IonicContact OE2-NH1 3.88Å; E447-R450 PolarHBondContact OE2-NH1 3.29Å; E447-R450 IonicContact OE2-NH2 2.66Å; E447-R450 PolarHBondContact OE2-NH2 3.07Å; I448-R450 VanDerWaalsContact C-N 3.34Å; I448-R450 PolarHBondContact O-N 2.73Å; R450-Q453 PolarHBondContact O-N 3.35Å; R450-A454 WeakPolarHBondContact O-CB 3.1Å; R450-A454 PolarHBondContact O-N 3.48Å
451	A	98.7	Very high	98.2	Very high	32 Å²	32	39.3 Å²	39.3	26%	0.264	22%	0.222	S	C	.	.	H	α-helix	trans	-63.2	-44.3	176.4	0	0	0	0	0	111.3	A419 E447 I448 Q453 A454 A455	A419-A451 WeakPolarHBondContact O-CB 3.48Å; E447-A451 WeakPolarHBondContact O-CB 3.34Å; E447-A451 PolarHBondContact O-N 2.9Å; I448-A451 PolarHBondContact O-N 3.47Å; A451-Q453 PolarHBondContact O-N 3.2Å; A451-A454 PolarHBondContact O-N 3.35Å; A451-A455 PolarHBondContact O-N 3.27Å
452	G	98.7	Very high	98.2	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-60.5	-43.6	173.6	0	0	0	0	0	113	M394 H420 I448 A455 A456	M394-G452 VanDerWaalsContact CE-CA 3.48Å; M394-G452 WeakPolarHBondContact CE-O 3.38Å; H420-G452 WeakPolarHBondContact O-CA 3.27Å; I448-G452 PolarHBondContact O-N 2.79Å; G452-A455 PolarHBondContact O-N 2.78Å; G452-A456 WeakPolarHBondContact O-CB 3.25Å; G452-A456 PolarHBondContact O-N 2.75Å
453	Q	98.4	Very high	98.1	Very high	13 Å²	13	34.9 Å²	34.9	6%	0.061	20%	0.199	C	C	.	.	H	α-helix	trans	-63.3	-43.8	176	-173	-176.8	45.7	0	0	112.6	M394 L395 G396 A449 R450 A451 A456 R457	M394-Q453 WeakPolarHBondContact O-CA 3.24Å; L395-Q453 PolarHBondContact O-NE2 2.89Å; G396-Q453 WeakPolarHBondContact O-CB 3.24Å; G396-Q453 WeakPolarHBondContact O-CG 3.49Å; G396-Q453 PolarHBondContact O-NE2 2.04Å; A449-Q453 WeakPolarHBondContact O-CB 3.47Å; A449-Q453 PolarHBondContact O-N 3.47Å; R450-Q453 PolarHBondContact O-N 3.35Å; A451-Q453 PolarHBondContact O-N 3.2Å; Q453-A456 PolarHBondContact O-N 2.62Å; Q453-R457 HydrophobicContact CG-CG 4.37Å; Q453-R457 WeakPolarHBondContact O-CB 3.45Å; Q453-R457 VanDerWaalsContact O-CG 3.29Å; Q453-R457 WeakPolarHBondContact O-CG 3.34Å; Q453-R457 PolarHBondContact O-N 2.8Å
454	A	98.2	Very high	98	Very high	59 Å²	59	33 Å²	33	49%	0.488	17%	0.174	S	C	.	.	H	α-helix	trans	-60.5	-46.5	177.2	0	0	0	0	0	111.2	R450 A451 R457 D458	R450-A454 WeakPolarHBondContact O-CB 3.1Å; R450-A454 PolarHBondContact O-N 3.48Å; A451-A454 PolarHBondContact O-N 3.35Å; A454-R457 PolarHBondContact O-N 2.96Å; A454-D458 PolarHBondContact O-N 3.03Å
455	A	98.3	Very high	98	Very high	21 Å²	21	28.5 Å²	28.5	17%	0.174	15%	0.153	C	C	.	.	H	α-helix	trans	-61.5	-45.1	176.2	0	0	0	0	0	112	L415 A451 G452 R457 D458 L459	L415-A455 HydrophobicContact CD2-CB 3.79Å; A451-A455 PolarHBondContact O-N 3.27Å; G452-A455 PolarHBondContact O-N 2.78Å; A455-R457 PolarHBondContact O-N 2.99Å; A455-D458 PolarHBondContact O-N 3.03Å; A455-L459 WeakPolarHBondContact O-CB 3.46Å; A455-L459 WeakPolarHBondContact O-CD1 3.23Å; A455-L459 VanDerWaalsContact O-CG 3.24Å; A455-L459 WeakPolarHBondContact O-CG 3.42Å; A455-L459 PolarHBondContact O-N 3.47Å
456	A	98.4	Very high	98	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-65	-39.3	179.1	0	0	0	0	0	112.9	M394 L395 G452 Q453 D458 L459 L460	M394-A456 HydrophobicContact CB-CB 3.63Å; L395-A456 HydrophobicContact CD2-CB 4.23Å; L395-A456 HydrophobicContact CG-CB 4.35Å; G452-A456 WeakPolarHBondContact O-CB 3.25Å; G452-A456 PolarHBondContact O-N 2.75Å; Q453-A456 PolarHBondContact O-N 2.62Å; A456-D458 PolarHBondContact O-N 3.38Å; A456-L459 PolarHBondContact O-N 2.95Å; A456-L460 HydrophobicContact CB-CD1 4.15Å; A456-L460 VanDerWaalsContact O-CB 3.23Å; A456-L460 WeakPolarHBondContact O-CB 3.28Å; A456-L460 WeakPolarHBondContact O-CG 3.35Å; A456-L460 PolarHBondContact O-N 2.03Å
457	R	97.8	Very high	97.9	Very high	15 Å²	15	27.7 Å²	27.7	6%	0.057	15%	0.147	C	C	.	.	H	α-helix	trans	-63	-29.9	175.5	-76.4	177.2	172	168.6	-9.1	112.5	R107 D109 Q305 L395 Q453 A454 A455 Q461	R107-R457 VanDerWaalsContact NE-CZ 3.3Å; R107-R457 PolarHBondContact O-NH2 2.91Å; R107-R457 VanDerWaalsContact O-NH2 3.15Å; D109-R457 IonicContact OD2-CZ 3.8Å; D109-R457 IonicContact OD2-NH1 3.28Å; D109-R457 PolarHBondContact OD2-NH1 2.95Å; Q305-R457 HydrophobicContact CG-CG 4.21Å; Q305-R457 PolarHBondContact O-NH2 2.78Å; L395-R457 HydrophobicContact CD2-CB 4.42Å; L395-R457 HydrophobicContact CD2-CG 3.82Å; Q453-R457 HydrophobicContact CG-CG 4.37Å; Q453-R457 WeakPolarHBondContact O-CB 3.45Å; Q453-R457 VanDerWaalsContact O-CG 3.29Å; Q453-R457 WeakPolarHBondContact O-CG 3.34Å; Q453-R457 PolarHBondContact O-N 2.8Å; A454-R457 PolarHBondContact O-N 2.96Å; A455-R457 PolarHBondContact O-N 2.99Å; R457-Q461 WeakPolarHBondContact O-CG 3.39Å
458	D	96.1	Very high	97.9	Very high	87 Å²	87	23.3 Å²	23.3	47%	0.465	13%	0.126	S	C	.	.	H	α-helix	trans	-77.2	-51.5	173.8	-175.4	58.2	0	0	0	111.9	A454 A455 A456 L460 Q461 R464	A454-D458 PolarHBondContact O-N 3.03Å; A455-D458 PolarHBondContact O-N 3.03Å; A456-D458 PolarHBondContact O-N 3.38Å; D458-L460 PolarHBondContact O-N 3Å; D458-Q461 WeakPolarHBondContact O-CG 3.31Å; D458-Q461 PolarHBondContact O-NE2 3.34Å; D458-R464 WeakPolarHBondContact O-CG 3.39Å
459	L	97.4	Very high	97.9	Very high	19 Å²	19	23 Å²	23	10%	0.099	13%	0.125	C	C	.	.	H	α-helix	trans	-69.9	-31.7	-173.2	-66.6	166.1	0	0	0	113.9	H414 L415 A455 A456 R464	H414-L459 HydrophobicContact CB-CD1 3.57Å; H414-L459 HydrophobicContact CB-CD2 3.89Å; H414-L459 HydrophobicContact CB-CG 4.39Å; L415-L459 HydrophobicContact CD2-CD1 4.06Å; L415-L459 HydrophobicContact CG-CD1 4.43Å; A455-L459 WeakPolarHBondContact O-CB 3.46Å; A455-L459 WeakPolarHBondContact O-CD1 3.23Å; A455-L459 VanDerWaalsContact O-CG 3.24Å; A455-L459 WeakPolarHBondContact O-CG 3.42Å; A455-L459 PolarHBondContact O-N 3.47Å; A456-L459 PolarHBondContact O-N 2.95Å; L459-R464 WeakPolarHBondContact O-CB 3.38Å
460	L	97.7	Very high	97.9	Very high	5 Å²	5	22.9 Å²	22.9	3%	0.026	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	22.9	-171.9	-58.3	171.6	0	0	0	113.2	P391 L395 F411 A456 D458	P391-L460 HydrophobicContact CB-CD1 3.46Å; P391-L460 VanDerWaalsContact CB-CD1 3.46Å; P391-L460 HydrophobicContact CB-CD2 4.13Å; P391-L460 HydrophobicContact CB-CG 4.46Å; L395-L460 HydrophobicContact CD1-CB 4.47Å; L395-L460 HydrophobicContact CD1-CD1 3.97Å; L395-L460 HydrophobicContact CD2-CD1 4.44Å; L395-L460 HydrophobicContact CG-CD1 3.98Å; F411-L460 HydrophobicContact CD1-CD2 3.81Å; F411-L460 HydrophobicContact CD2-CD2 4.32Å; F411-L460 HydrophobicContact CE1-CD2 3.97Å; F411-L460 HydrophobicContact CE2-CD2 4.45Å; F411-L460 HydrophobicContact CG-CD2 3.99Å; F411-L460 HydrophobicContact CZ-CD1 4.5Å; F411-L460 HydrophobicContact CZ-CD2 4.28Å; A456-L460 HydrophobicContact CB-CD1 4.15Å; A456-L460 VanDerWaalsContact O-CB 3.23Å; A456-L460 WeakPolarHBondContact O-CB 3.28Å; A456-L460 WeakPolarHBondContact O-CG 3.35Å; A456-L460 PolarHBondContact O-N 2.03Å; D458-L460 PolarHBondContact O-N 3Å
461	Q	97	Very high	97.9	Very high	36 Å²	36	19.6 Å²	19.6	17%	0.168	11%	0.111	C	C	.	.			trans	-65.9	145.8	172.9	-69.8	-173.2	52.7	0	0	111.3	Y62 R457 D458 S463 R464 L465	Y62-Q461 WeakPolarHBondContact OH-CB 3.41Å; Y62-Q461 PolarHBondContact OH-OE1 3.04Å; R457-Q461 WeakPolarHBondContact O-CG 3.39Å; D458-Q461 WeakPolarHBondContact O-CG 3.31Å; D458-Q461 PolarHBondContact O-NE2 3.34Å; Q461-S463 VanDerWaalsContact C-N 3.26Å; Q461-S463 PolarHBondContact O-N 2.83Å; Q461-R464 HydrophobicContact CB-CB 4.27Å; Q461-R464 HydrophobicContact CB-CG 3.97Å; Q461-R464 WeakPolarHBondContact O-CB 3.01Å; Q461-R464 PolarHBondContact O-N 3.49Å; Q461-L465 PolarHBondContact O-N 2.93Å; Q461-L465 VanDerWaalsContact O-N 3.16Å
462	P	97.2	Very high	97.9	Very high	5 Å²	5	18 Å²	18	3%	0.032	10%	0.098	C	C	.	.	H	α-helix	trans	-51.6	-42.2	172.3	-31	36.7	0	0	0	113.5	L58 Y62 T290 L302 R464 L465 Y466	L58-P462 HydrophobicContact CD1-CB 4.35Å; L58-P462 HydrophobicContact CD2-CB 4.4Å; Y62-P462 HydrophobicContact CD1-CG 4.23Å; Y62-P462 HydrophobicContact CE1-CB 4Å; Y62-P462 HydrophobicContact CE1-CG 3.78Å; T290-P462 HydrophobicContact CG2-CB 3.75Å; T290-P462 HydrophobicContact CG2-CG 4.32Å; L302-P462 HydrophobicContact CD1-CG 4.18Å; L302-P462 HydrophobicContact CD2-CG 4.04Å; L302-P462 HydrophobicContact CG-CG 4.24Å; P462-R464 VanDerWaalsContact C-N 3.34Å; P462-R464 PolarHBondContact O-N 2.83Å; P462-L465 VanDerWaalsContact O-CB 3.31Å; P462-L465 WeakPolarHBondContact O-CB 3.4Å; P462-L465 PolarHBondContact O-N 3.44Å; P462-Y466 VanDerWaalsContact O-CD2 3.29Å; P462-Y466 WeakPolarHBondContact O-CD2 3.36Å; P462-Y466 PolarHBondContact O-N 2.84Å
463	S	96.8	Very high	97.9	Very high	7 Å²	7	18.2 Å²	18.2	5%	0.049	10%	0.098	C	C	.	.	H	α-helix	trans	-60.2	-42.5	176.8	55.2	0	0	0	0	112.4	Y62 Q461 L465 Y466 C467	Y62-S463 PolarHBondContact OH-OG 2.82Å; Q461-S463 VanDerWaalsContact C-N 3.26Å; Q461-S463 PolarHBondContact O-N 2.83Å; S463-L465 VanDerWaalsContact C-N 3.29Å; S463-L465 PolarHBondContact O-N 3.1Å; S463-Y466 PolarHBondContact O-N 3.26Å; S463-C467 PolarHBondContact O-N 2.87Å; S463-C467 PolarHBondContact O-SG 2.66Å
464	R	97.1	Very high	97.9	Very high	41 Å²	41	19.4 Å²	19.4	16%	0.155	11%	0.105	C	C	.	.	H	α-helix	trans	-59.6	-38.6	176.9	-70.9	-66.2	-55	-150.1	-0.1	112.3	P170 E173 D458 L459 Q461 P462 C467 Y468	P170-R464 VanDerWaalsContact CG-CZ 3.48Å; E173-R464 IonicContact OE1-CZ 2.76Å; E173-R464 IonicContact OE1-NE 3.05Å; E173-R464 IonicContact OE1-NH2 3.12Å; E173-R464 PolarHBondContact OE1-NH2 2.48Å; E173-R464 IonicContact OE2-NH2 3.24Å; E173-R464 PolarHBondContact OE2-NH2 2.97Å; D458-R464 WeakPolarHBondContact O-CG 3.39Å; L459-R464 WeakPolarHBondContact O-CB 3.38Å; Q461-R464 HydrophobicContact CB-CB 4.27Å; Q461-R464 HydrophobicContact CB-CG 3.97Å; Q461-R464 WeakPolarHBondContact O-CB 3.01Å; Q461-R464 PolarHBondContact O-N 3.49Å; P462-R464 VanDerWaalsContact C-N 3.34Å; P462-R464 PolarHBondContact O-N 2.83Å; R464-C467 PolarHBondContact O-N 2.98Å; R464-Y468 WeakPolarHBondContact O-CB 3.31Å; R464-Y468 PolarHBondContact O-N 2.69Å
465	L	97.9	Very high	97.9	Very high	5 Å²	5	17.2 Å²	17.2	3%	0.026	9%	0.087	C	C	.	.	H	α-helix	trans	-56.9	-54	174.6	-174	78	0	0	0	111.3	M233 P282 V286 T290 Q461 P462 S463 C467 Y468 Y469	M233-L465 HydrophobicContact SD-CD2 4.06Å; P282-L465 HydrophobicContact CB-CD1 3.22Å; P282-L465 HydrophobicContact CG-CD1 3.58Å; V286-L465 HydrophobicContact CG1-CD1 3.77Å; T290-L465 HydrophobicContact CG2-CD2 3.67Å; Q461-L465 PolarHBondContact O-N 2.93Å; Q461-L465 VanDerWaalsContact O-N 3.16Å; P462-L465 VanDerWaalsContact O-CB 3.31Å; P462-L465 WeakPolarHBondContact O-CB 3.4Å; P462-L465 PolarHBondContact O-N 3.44Å; S463-L465 VanDerWaalsContact C-N 3.29Å; S463-L465 PolarHBondContact O-N 3.1Å; L465-C467 VanDerWaalsContact C-N 3.35Å; L465-C467 PolarHBondContact O-N 3.49Å; L465-Y468 PolarHBondContact O-N 2.84Å; L465-Y469 HydrophobicContact CD1-CD2 4.33Å; L465-Y469 HydrophobicContact CD1-CE2 3.99Å; L465-Y469 HydrophobicContact CG-CD2 4.13Å; L465-Y469 HydrophobicContact CG-CE2 4.11Å; L465-Y469 WeakPolarHBondContact O-CD2 3.38Å; L465-Y469 PolarHBondContact O-N 3.14Å; L465-Y469 VanDerWaalsContact O-N 3.09Å
466	Y	98.4	Very high	97.9	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-61.8	-43.4	-180	-79.1	-88.2	0	0	0	111.7	L58 P59 W163 M233 S236 L237 K240 T290 L291 P462 S463 Y468 Y469 H470	L58-Y466 HydrophobicContact CD2-CD2 3.61Å; L58-Y466 HydrophobicContact CD2-CE2 3.79Å; L58-Y466 HydrophobicContact CD2-CG 4.49Å; P59-Y466 VanDerWaalsContact CD-OH 3.27Å; P59-Y466 WeakPolarHBondContact CD-OH 3.4Å; P59-Y466 HydrophobicContact CG-CE2 4.3Å; P59-Y466 WeakPolarHBondContact CG-OH 3.38Å; W163-Y466 HydrophobicContact CZ2-CD1 4.45Å; M233-Y466 HydrophobicContact CE-CD1 3.46Å; M233-Y466 VanDerWaalsContact CE-CD1 3.46Å; M233-Y466 HydrophobicContact CE-CE1 3.18Å; M233-Y466 HydrophobicContact CE-CE2 4.48Å; M233-Y466 HydrophobicContact CE-CG 4.22Å; S236-Y466 PolarHBondContact OG-OH 3.5Å; L237-Y466 HydrophobicContact CD1-CD1 3.92Å; K240-Y466 HydrophobicContact CD-CD1 3.86Å; K240-Y466 HydrophobicContact CD-CE1 3.5Å; K240-Y466 VanDerWaalsContact CD-CE1 3.5Å; K240-Y466 PolarHBondContact NZ-OH 3.04Å; T290-Y466 HydrophobicContact CG2-CE2 4.27Å; L291-Y466 WeakPolarHBondContact CD2-OH 3.49Å; P462-Y466 VanDerWaalsContact O-CD2 3.29Å; P462-Y466 WeakPolarHBondContact O-CD2 3.36Å; P462-Y466 PolarHBondContact O-N 2.84Å; S463-Y466 PolarHBondContact O-N 3.26Å; Y466-Y468 VanDerWaalsContact C-N 3.31Å; Y466-Y468 PolarHBondContact O-N 2.88Å; Y466-Y469 PolarHBondContact O-N 2.98Å; Y466-H470 WeakPolarHBondContact O-CB 3.21Å; Y466-H470 PolarHBondContact O-N 2.9Å
467	C	98.3	Very high	97.9	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-57.4	-44.5	175.9	-67.5	0	0	0	0	111.9	C169 S463 R464 L465 H470 R471	C169-C467 WeakPolarHBondContact CA-SG 3.11Å; C169-C467 HydrophobicContact CB-CB 3.59Å; C169-C467 WeakPolarHBondContact CB-SG 3.45Å; C169-C467 VanDerWaalsContact SG-CA 3.55Å; C169-C467 WeakPolarHBondContact SG-CB 3.26Å; C169-C467 CovalentContact SG-SG 2.03Å; C169-C467 PolarHBondContact SG-SG 3.29Å; S463-C467 PolarHBondContact O-N 2.87Å; S463-C467 PolarHBondContact O-SG 2.66Å; R464-C467 PolarHBondContact O-N 2.98Å; L465-C467 VanDerWaalsContact C-N 3.35Å; L465-C467 PolarHBondContact O-N 3.49Å; C467-H470 PolarHBondContact O-N 2.95Å; C467-R471 WeakPolarHBondContact O-CB 3.32Å; C467-R471 WeakPolarHBondContact O-CG 3.45Å; C467-R471 PolarHBondContact O-N 3.03Å
468	Y	98.7	Very high	97.9	Very high	5 Å²	5	22.8 Å²	22.8	2%	0.02	11%	0.114	C	C	.	.	H	α-helix	trans	-64	-50.1	-179.9	-167.7	-77.9	0	0	0	111.5	E173 Q175 I176 V280 P282 H410 R464 L465 Y466 H470 R471 V472	E173-Y468 HydrophobicContact CG-CD2 4.44Å; Q175-Y468 HydrophobicContact CB-CE2 4.47Å; Q175-Y468 WeakPolarHBondContact CG-OH 3.38Å; I176-Y468 HydrophobicContact CD1-CD1 4.31Å; I176-Y468 HydrophobicContact CD1-CD2 3.98Å; I176-Y468 HydrophobicContact CD1-CE1 4.23Å; I176-Y468 HydrophobicContact CD1-CE2 3.9Å; I176-Y468 HydrophobicContact CD1-CG 4.2Å; I176-Y468 HydrophobicContact CG1-CD2 4.22Å; I176-Y468 HydrophobicContact CG1-CE1 4.09Å; I176-Y468 HydrophobicContact CG1-CE2 3.61Å; V280-Y468 VanDerWaalsContact O-CE1 3.22Å; V280-Y468 WeakPolarHBondContact O-CE1 3.35Å; V280-Y468 PolarHBondContact O-OH 2.81Å; P282-Y468 HydrophobicContact CG-CD1 3.75Å; P282-Y468 HydrophobicContact CG-CE1 4.37Å; P282-Y468 HydrophobicContact CG-CG 4.23Å; H410-Y468 HydrophobicContact CB-CE1 3.95Å; H410-Y468 HydrophobicContact CB-CE2 3.9Å; R464-Y468 WeakPolarHBondContact O-CB 3.31Å; R464-Y468 PolarHBondContact O-N 2.69Å; L465-Y468 PolarHBondContact O-N 2.84Å; Y466-Y468 VanDerWaalsContact C-N 3.31Å; Y466-Y468 PolarHBondContact O-N 2.88Å; Y468-H470 PolarHBondContact O-N 3.16Å; Y468-R471 PolarHBondContact O-N 2.79Å; Y468-V472 HydrophobicContact CD1-CG2 3.85Å; Y468-V472 HydrophobicContact CE1-CG2 3.51Å; Y468-V472 WeakPolarHBondContact O-CG2 3.5Å; Y468-V472 PolarHBondContact O-N 2.96Å
469	Y	98.8	Very high	98	Very high	4 Å²	4	21.7 Å²	21.7	2%	0.016	10%	0.103	C	C	.	.	H	α-helix	trans	-56.8	-47.9	175.9	-89.8	-83.5	0	0	0	112.2	M233 W270 L281 P282 T287 L465 Y466 R471 V472 L473	M233-Y469 HydrophobicContact CG-CD1 4.02Å; M233-Y469 HydrophobicContact CG-CD2 3.89Å; M233-Y469 HydrophobicContact CG-CE1 3.74Å; M233-Y469 HydrophobicContact CG-CE2 3.61Å; M233-Y469 HydrophobicContact CG-CG 4.07Å; M233-Y469 HydrophobicContact SD-CD2 3.99Å; M233-Y469 HydrophobicContact SD-CE2 3.88Å; W270-Y469 WeakPolarHBondContact CZ3-OH 3.46Å; L281-Y469 HydrophobicContact CB-CE1 4.42Å; L281-Y469 HydrophobicContact CD1-CE1 4.02Å; L281-Y469 HydrophobicContact CD2-CD1 3.96Å; L281-Y469 HydrophobicContact CD2-CE1 3.93Å; L281-Y469 HydrophobicContact CG-CE1 4.36Å; P282-Y469 HydrophobicContact CB-CE2 3.89Å; P282-Y469 HydrophobicContact CG-CD2 3.93Å; P282-Y469 HydrophobicContact CG-CE2 3.65Å; P282-Y469 PolarHBondContact O-OH 3.34Å; T287-Y469 PolarHBondContact OG1-OH 3.34Å; L465-Y469 HydrophobicContact CD1-CD2 4.33Å; L465-Y469 HydrophobicContact CD1-CE2 3.99Å; L465-Y469 HydrophobicContact CG-CD2 4.13Å; L465-Y469 HydrophobicContact CG-CE2 4.11Å; L465-Y469 WeakPolarHBondContact O-CD2 3.38Å; L465-Y469 PolarHBondContact O-N 3.14Å; L465-Y469 VanDerWaalsContact O-N 3.09Å; Y466-Y469 PolarHBondContact O-N 2.98Å; Y469-R471 VanDerWaalsContact C-N 3.34Å; Y469-R471 PolarHBondContact O-N 3Å; Y469-V472 PolarHBondContact O-N 3.28Å; Y469-L473 WeakPolarHBondContact O-CG 3.43Å; Y469-L473 PolarHBondContact O-N 3.46Å
470	H	98.4	Very high	98	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-60.1	-43.8	178.4	-177.6	-81.1	0	0	0	111.8	W163 Q164 L237 Y466 C467 Y468 L473 L474	W163-H470 HydrophobicContact CH2-CB 3.94Å; W163-H470 HydrophobicContact CZ3-CB 3.68Å; W163-H470 AromaticContact CZ3-CD2 4Å; W163-H470 AromaticContact CZ3-CG 3.69Å; Q164-H470 PolarHBondContact NE2-CE1 3.12Å; Q164-H470 PolarHBondContact NE2-ND1 3.14Å; Q164-H470 VanDerWaalsContact NE2-ND1 3.19Å; L237-H470 HydrophobicContact CD1-CB 4.29Å; L237-H470 HydrophobicContact CD2-CB 4.49Å; Y466-H470 WeakPolarHBondContact O-CB 3.21Å; Y466-H470 PolarHBondContact O-N 2.9Å; C467-H470 PolarHBondContact O-N 2.95Å; Y468-H470 PolarHBondContact O-N 3.16Å; H470-L473 PolarHBondContact O-N 3.48Å; H470-L474 VanDerWaalsContact O-CB 3.31Å; H470-L474 WeakPolarHBondContact O-CB 3.26Å; H470-L474 PolarHBondContact O-N 3.4Å
471	R	98.3	Very high	98	Very high	55 Å²	55	24.4 Å²	24.4	21%	0.208	12%	0.124	C	C	.	.	H	α-helix	trans	-64.6	-40	178.4	-75.4	-73.8	-170.9	-149.2	-9.3	112.4	Q164 P170 I176 C467 Y468 Y469 A475	Q164-R471 VanDerWaalsContact OE1-CZ 3.32Å; P170-R471 PolarHBondContact O-NE 2.81Å; P170-R471 PolarHBondContact O-NH2 2.78Å; I176-R471 HydrophobicContact CD1-CB 3.53Å; C467-R471 WeakPolarHBondContact O-CB 3.32Å; C467-R471 WeakPolarHBondContact O-CG 3.45Å; C467-R471 PolarHBondContact O-N 3.03Å; Y468-R471 PolarHBondContact O-N 2.79Å; Y469-R471 VanDerWaalsContact C-N 3.34Å; Y469-R471 PolarHBondContact O-N 3Å; R471-A475 VanDerWaalsContact O-CB 3.27Å; R471-A475 WeakPolarHBondContact O-CB 3.3Å; R471-A475 PolarHBondContact O-N 3.4Å
472	V	98.7	Very high	97.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62	-48.5	175	170.8	0	0	0	0	110.7	I176 F180 L268 I279 L281 Y468 Y469 L474 A475 Y476	I176-V472 HydrophobicContact CD1-CG2 3.61Å; I176-V472 HydrophobicContact CG1-CG2 3.8Å; I176-V472 HydrophobicContact CG2-CG2 4.45Å; F180-V472 HydrophobicContact CE2-CG1 4.31Å; F180-V472 HydrophobicContact CZ-CG1 4.4Å; L268-V472 HydrophobicContact CD2-CG1 3.51Å; I279-V472 HydrophobicContact CG2-CG1 4.05Å; L281-V472 HydrophobicContact CD2-CB 4.23Å; L281-V472 HydrophobicContact CD2-CG1 3.9Å; L281-V472 HydrophobicContact CD2-CG2 4.27Å; Y468-V472 HydrophobicContact CD1-CG2 3.85Å; Y468-V472 HydrophobicContact CE1-CG2 3.51Å; Y468-V472 WeakPolarHBondContact O-CG2 3.5Å; Y468-V472 PolarHBondContact O-N 2.96Å; Y469-V472 PolarHBondContact O-N 3.28Å; V472-L474 PolarHBondContact O-N 2.81Å; V472-A475 PolarHBondContact O-N 3.15Å; V472-Y476 WeakPolarHBondContact O-CB 3.24Å; V472-Y476 PolarHBondContact O-N 3.33Å
473	L	98.7	Very high	97.9	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-64.6	-40.9	-179.4	-67.3	175.9	0	0	0	112.2	I210 L234 L237 V243 V246 F248 Y469 H470 Y476 A477	I210-L473 HydrophobicContact CD1-CD1 4.13Å; L234-L473 HydrophobicContact CD2-CD1 3.93Å; L237-L473 HydrophobicContact CD2-CD1 3.72Å; V243-L473 HydrophobicContact CG1-CB 4.32Å; V243-L473 HydrophobicContact CG1-CD1 3.95Å; V246-L473 HydrophobicContact CG1-CD2 4.29Å; F248-L473 HydrophobicContact CD1-CD2 3.96Å; F248-L473 HydrophobicContact CE1-CD2 3.41Å; F248-L473 VanDerWaalsContact CE1-CD2 3.41Å; F248-L473 HydrophobicContact CE2-CD2 4.49Å; F248-L473 HydrophobicContact CZ-CD2 3.71Å; Y469-L473 WeakPolarHBondContact O-CG 3.43Å; Y469-L473 PolarHBondContact O-N 3.46Å; H470-L473 PolarHBondContact O-N 3.48Å; L473-Y476 PolarHBondContact O-N 2.81Å; L473-A477 WeakPolarHBondContact O-CB 3.47Å; L473-A477 PolarHBondContact O-N 3.34Å
474	L	97.8	Very high	97.9	Very high	39 Å²	39	34.4 Å²	34.4	20%	0.204	18%	0.179	C	C	.	.	H	α-helix	trans	-62.1	-49.4	174.5	-179.7	64.2	0	0	0	111.3	P244 H470 V472 Y476 A477 E478	P244-L474 HydrophobicContact CG-CD1 4.24Å; H470-L474 VanDerWaalsContact O-CB 3.31Å; H470-L474 WeakPolarHBondContact O-CB 3.26Å; H470-L474 PolarHBondContact O-N 3.4Å; V472-L474 PolarHBondContact O-N 2.81Å; L474-Y476 VanDerWaalsContact C-N 3.26Å; L474-Y476 PolarHBondContact O-N 3.46Å; L474-A477 PolarHBondContact O-N 2.85Å; L474-E478 HydrophobicContact CD1-CG 4.35Å; L474-E478 VanDerWaalsContact O-CG 3.31Å; L474-E478 WeakPolarHBondContact O-CG 3.17Å; L474-E478 PolarHBondContact O-N 3.28Å
475	A	98.1	Very high	97.9	Very high	12 Å²	12	34.9 Å²	34.9	10%	0.099	19%	0.186	C	C	.	.	H	α-helix	trans	-60.6	-37.8	178.7	0	0	0	0	0	111.9	I176 F180 R471 V472 R479	I176-A475 HydrophobicContact CG2-CB 4.26Å; F180-A475 HydrophobicContact CD2-CB 3.93Å; F180-A475 HydrophobicContact CE1-CB 4.49Å; F180-A475 HydrophobicContact CE2-CB 3.65Å; F180-A475 HydrophobicContact CG-CB 4.46Å; F180-A475 HydrophobicContact CZ-CB 3.95Å; R471-A475 VanDerWaalsContact O-CB 3.27Å; R471-A475 WeakPolarHBondContact O-CB 3.3Å; R471-A475 PolarHBondContact O-N 3.4Å; V472-A475 PolarHBondContact O-N 3.15Å; A475-R479 WeakPolarHBondContact O-CD 3.3Å; A475-R479 WeakPolarHBondContact O-CG 3.37Å; A475-R479 PolarHBondContact O-NH1 3.42Å
476	Y	98.5	Very high	97.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64.8	-50.6	175	-151	-73.8	0	0	0	110.9	F180 I186 L191 V246 E247 F248 P266 I279 V472 L473 L474 E478 R479 Q480	F180-Y476 AromaticContact CE1-CD2 3.8Å; F180-Y476 HydrophobicContact CE1-CD2 3.8Å; F180-Y476 HydrophobicContact CE1-CG 4.2Å; F180-Y476 AromaticContact CZ-CD2 3.81Å; F180-Y476 HydrophobicContact CZ-CD2 3.81Å; F180-Y476 HydrophobicContact CZ-CG 4.26Å; I186-Y476 HydrophobicContact CD1-CD1 3.74Å; I186-Y476 HydrophobicContact CD1-CD2 4.14Å; I186-Y476 HydrophobicContact CD1-CE1 3.67Å; I186-Y476 HydrophobicContact CD1-CE2 4.09Å; I186-Y476 HydrophobicContact CD1-CG 3.98Å; I186-Y476 HydrophobicContact CG2-CE1 4.1Å; L191-Y476 HydrophobicContact CD2-CE1 4.45Å; L191-Y476 WeakPolarHBondContact CD2-OH 3.4Å; V246-Y476 HydrophobicContact CG2-CD1 3.94Å; V246-Y476 HydrophobicContact CG2-CG 4.35Å; E247-Y476 VanDerWaalsContact O-CE1 3.27Å; E247-Y476 WeakPolarHBondContact O-CE1 3.37Å; F248-Y476 HydrophobicContact CB-CD1 4.16Å; F248-Y476 HydrophobicContact CB-CD2 4.42Å; F248-Y476 HydrophobicContact CB-CE1 3.7Å; F248-Y476 HydrophobicContact CB-CE2 3.99Å; F248-Y476 HydrophobicContact CB-CG 4.5Å; P266-Y476 HydrophobicContact CB-CE2 3.85Å; P266-Y476 HydrophobicContact CG-CE2 4.26Å; P266-Y476 WeakPolarHBondContact CG-OH 3.26Å; P266-Y476 WeakPolarHBondContact O-CE2 3.46Å; P266-Y476 PolarHBondContact O-OH 3.29Å; I279-Y476 HydrophobicContact CD1-CD2 4.14Å; I279-Y476 HydrophobicContact CD1-CE2 4.03Å; V472-Y476 WeakPolarHBondContact O-CB 3.24Å; V472-Y476 PolarHBondContact O-N 3.33Å; L473-Y476 PolarHBondContact O-N 2.81Å; L474-Y476 VanDerWaalsContact C-N 3.26Å; L474-Y476 PolarHBondContact O-N 3.46Å; Y476-E478 PolarHBondContact O-N 3.15Å; Y476-R479 PolarHBondContact O-N 3.32Å; Y476-R479 VanDerWaalsContact O-N 3.11Å; Y476-Q480 HydrophobicContact CD1-CG 4.13Å; Y476-Q480 WeakPolarHBondContact O-CG 3.46Å; Y476-Q480 PolarHBondContact O-N 2.89Å
477	A	98.4	Very high	97.7	Very high	21 Å²	21	41.3 Å²	41.3	17%	0.174	22%	0.216	C	C	.	.	H	α-helix	trans	-56.9	-45.9	179.9	0	0	0	0	0	112.3	P244 V246 L473 L474 R479 Q480	P244-A477 HydrophobicContact CB-CB 4.03Å; P244-A477 HydrophobicContact CG-CB 3.8Å; V246-A477 HydrophobicContact CB-CB 4Å; V246-A477 HydrophobicContact CG2-CB 3.96Å; L473-A477 WeakPolarHBondContact O-CB 3.47Å; L473-A477 PolarHBondContact O-N 3.34Å; L474-A477 PolarHBondContact O-N 2.85Å; A477-R479 PolarHBondContact O-N 3.22Å; A477-R479 VanDerWaalsContact O-N 3.12Å; A477-Q480 PolarHBondContact O-N 3.49Å; A477-Q480 VanDerWaalsContact O-N 3.16Å
478	E	97.6	Very high	97.5	Very high	133 Å²	133	46.7 Å²	46.7	62%	0.621	26%	0.261	S	S	*	.	H	α-helix	trans	-60.2	-22.3	178.7	-74	171.8	174.6	0	0	113.8	L474 Y476	L474-E478 HydrophobicContact CD1-CG 4.35Å; L474-E478 VanDerWaalsContact O-CG 3.31Å; L474-E478 WeakPolarHBondContact O-CG 3.17Å; L474-E478 PolarHBondContact O-N 3.28Å; Y476-E478 PolarHBondContact O-N 3.15Å
479	R	98.3	Very high	97.3	Very high	64 Å²	64	50.8 Å²	50.8	24%	0.242	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-3.3	-177.1	-69.8	162.7	172.5	68.7	4.2	112.8	F183 A185 I186 A475 Y476 A477 A481	F183-R479 WeakPolarHBondContact O-CD 3.07Å; A185-R479 CarbonylContact C-O 3.53Å; A185-R479 WeakPolarHBondContact CA-O 3.5Å; I186-R479 HydrophobicContact CD1-CB 4Å; I186-R479 HydrophobicContact CG1-CB 3.97Å; I186-R479 PolarHBondContact N-O 2.86Å; A475-R479 WeakPolarHBondContact O-CD 3.3Å; A475-R479 WeakPolarHBondContact O-CG 3.37Å; A475-R479 PolarHBondContact O-NH1 3.42Å; Y476-R479 PolarHBondContact O-N 3.32Å; Y476-R479 VanDerWaalsContact O-N 3.11Å; A477-R479 PolarHBondContact O-N 3.22Å; A477-R479 VanDerWaalsContact O-N 3.12Å; R479-A481 PolarHBondContact O-N 2.86Å
480	Q	98.1	Very high	97.3	Very high	28 Å²	28	51 Å²	51	13%	0.131	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	125.8	-174.2	-51.2	-154.9	-83.5	0	0	112.3	I186 L188 V246 E247 Y476 A477	I186-Q480 CarbonylContact O-C 3.56Å; I186-Q480 WeakPolarHBondContact O-CA 3.32Å; L188-Q480 HydrophobicContact CD1-CB 4.3Å; L188-Q480 HydrophobicContact CG-CB 4.31Å; V246-Q480 VanDerWaalsContact CA-OE1 3.29Å; E247-Q480 PolarHBondContact O-NE2 3.48Å; Y476-Q480 HydrophobicContact CD1-CG 4.13Å; Y476-Q480 WeakPolarHBondContact O-CG 3.46Å; Y476-Q480 PolarHBondContact O-N 2.89Å; A477-Q480 PolarHBondContact O-N 3.49Å; A477-Q480 VanDerWaalsContact O-N 3.16Å
481	A	97.5	Very high	97.3	Very high	53 Å²	53	55.9 Å²	55.9	44%	0.438	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	122.6	164.1	0	0	0	0	0	109	I186 L188 R479	I186-A481 PolarHBondContact O-N 2.88Å; L188-A481 PolarHBondContact N-O 3.44Å; L188-A481 VanDerWaalsContact N-O 3.07Å; R479-A481 PolarHBondContact O-N 2.86Å
482	G	95.5	Very high	97.3	Very high	59 Å²	59	57.5 Å²	57.5	61%	0.608	32%	0.319	S	S	*	.	S	Bend	trans	101.9	168.5	-171.8	0	0	0	0	0	112.3
483	R	95.8	Very high	97.3	Very high	185 Å²	185	58 Å²	58	70%	0.698	32%	0.322	S	S	*	.			trans	-91.3	127.2	-179.4	-168.9	177.8	178.7	176.7	0.7	110.3	R192 T485	R192-R483 PolarHBondContact NH2-O 2.83Å; R483-T485 HydrophobicContact CG-CG2 4.4Å; R483-T485 PolarHBondContact O-N 2.84Å
484	P	97.9	Very high	97.2	Very high	13 Å²	13	62.2 Å²	62.2	8%	0.084	35%	0.35	C	S	.	.			trans	-57.2	131.5	164.8	-26.7	37.4	0	0	0	110.3	L188 D245 E247	L188-P484 HydrophobicContact CD1-CG 4.09Å; D245-P484 HydrophobicContact CB-CB 4.28Å; D245-P484 HydrophobicContact CB-CG 4.25Å; E247-P484 HydrophobicContact CB-CB 3.93Å
485	T	95.9	Very high	97.1	Very high	51 Å²	51	62.5 Å²	62.5	31%	0.313	35%	0.35	S	S	.	.			trans	-142.8	146.7	-178	53.2	0	0	0	0	111.1	R192 E247 R483 Q487	R192-T485 PolarHBondContact NH2-OG1 2.83Å; E247-T485 PolarHBondContact OE2-N 2.89Å; E247-T485 VanDerWaalsContact OE2-N 3.07Å; R483-T485 HydrophobicContact CG-CG2 4.4Å; R483-T485 PolarHBondContact O-N 2.84Å; T485-Q487 PolarHBondContact O-N 2.93Å; T485-Q487 VanDerWaalsContact O-N 3.14Å; T485-Q487 PolarHBondContact O-NE2 3.36Å; T485-Q487 PolarHBondContact OG1-NE2 3Å
486	Q	96.2	Very high	96.8	Very high	99 Å²	99	64.3 Å²	64.3	46%	0.463	36%	0.361	S	S	.	.			trans	-61.3	115.2	163.2	-178.2	-173	-3.5	0	0	108.8	Y216 M490	Y216-Q486 HydrophobicContact CD1-CB 4.27Å; Y216-Q486 HydrophobicContact CD1-CG 3.64Å; Y216-Q486 HydrophobicContact CD2-CB 4.43Å; Y216-Q486 HydrophobicContact CE1-CG 4.08Å; Y216-Q486 HydrophobicContact CG-CB 4.21Å; Y216-Q486 HydrophobicContact CG-CG 3.94Å; Q486-M490 HydrophobicContact CG-CB 4.03Å; Q486-M490 PolarHBondContact NE2-O 3.32Å
487	Q	95.4	Very high	96.3	Very high	41 Å²	41	71.8 Å²	71.8	19%	0.192	40%	0.401	C	S	.	.			trans	-72.8	153.6	172.9	-54.7	-57.5	-44.1	0	0	110.1	R192 E247 T485 D489 M490	R192-Q487 VanDerWaalsContact NE-NE2 3.11Å; E247-Q487 PolarHBondContact OE1-NE2 2.97Å; T485-Q487 PolarHBondContact O-N 2.93Å; T485-Q487 VanDerWaalsContact O-N 3.14Å; T485-Q487 PolarHBondContact O-NE2 3.36Å; T485-Q487 PolarHBondContact OG1-NE2 3Å; Q487-D489 WeakPolarHBondContact CB-OD1 3.48Å; Q487-D489 PolarHBondContact O-N 2.8Å; Q487-M490 HydrophobicContact CB-CE 4.3Å; Q487-M490 HydrophobicContact CB-CG 4Å; Q487-M490 HydrophobicContact CB-SD 4.12Å; Q487-M490 HydrophobicContact CG-CE 3.87Å; Q487-M490 HydrophobicContact CG-SD 4.18Å; Q487-M490 PolarHBondContact N-SD 3.01Å; Q487-M490 VanDerWaalsContact N-SD 3.41Å; Q487-M490 WeakPolarHBondContact O-CB 3.36Å; Q487-M490 PolarHBondContact O-N 2.97Å
488	A	94.3	Very high	95.7	Very high	114 Å²	114	74.6 Å²	74.6	94%	0.942	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-26.3	-173.7	0	0	0	0	0	114.2
489	D	95.5	Very high	95	Very high	90 Å²	90	76.1 Å²	76.1	48%	0.481	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	10	179.7	63.9	-26.4	0	0	0	113.7	R218 Q487	R218-D489 VanDerWaalsContact CD-OD1 3.24Å; R218-D489 WeakPolarHBondContact CD-OD1 3.45Å; R218-D489 WeakPolarHBondContact CD-OD2 3.28Å; R218-D489 IonicContact CZ-OD1 2.67Å; R218-D489 IonicContact CZ-OD2 3.85Å; R218-D489 IonicContact NE-OD1 2.72Å; R218-D489 IonicContact NE-OD2 2.66Å; R218-D489 IonicContact NH1-OD1 3.52Å; R218-D489 PolarHBondContact NH1-OD1 2.89Å; R218-D489 IonicContact NH1-OD2 3.08Å; R218-D489 PolarHBondContact NH1-OD2 3.38Å; Q487-D489 WeakPolarHBondContact CB-OD1 3.48Å; Q487-D489 PolarHBondContact O-N 2.8Å
490	M	98.4	Very high	94.2	Very high	10 Å²	10	75.8 Å²	75.8	5%	0.049	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-87.6	133.3	174.1	-72.4	179.8	171.4	0	0	112.5	H207 A209 R217 R218 Q486 Q487	H207-M490 HydrophobicContact CB-CE 4.29Å; H207-M490 WeakPolarHBondContact CE1-CE 3.4Å; H207-M490 WeakPolarHBondContact ND1-CE 3.49Å; A209-M490 HydrophobicContact CB-CE 4.05Å; A209-M490 HydrophobicContact CB-SD 3.85Å; R217-M490 CarbonylContact O-C 3.53Å; R217-M490 WeakPolarHBondContact O-CA 3.39Å; R218-M490 HydrophobicContact CB-CG 4.2Å; R218-M490 HydrophobicContact CG-CG 4.14Å; Q486-M490 HydrophobicContact CG-CB 4.03Å; Q486-M490 PolarHBondContact NE2-O 3.32Å; Q487-M490 HydrophobicContact CB-CE 4.3Å; Q487-M490 HydrophobicContact CB-CG 4Å; Q487-M490 HydrophobicContact CB-SD 4.12Å; Q487-M490 HydrophobicContact CG-CE 3.87Å; Q487-M490 HydrophobicContact CG-SD 4.18Å; Q487-M490 PolarHBondContact N-SD 3.01Å; Q487-M490 VanDerWaalsContact N-SD 3.41Å; Q487-M490 WeakPolarHBondContact O-CB 3.36Å; Q487-M490 PolarHBondContact O-N 2.97Å
491	E	98.1	Very high	93.7	Very high	103 Å²	103	75 Å²	75	48%	0.481	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	149	167.7	64.1	176.7	-163.9	0	0	111.3	Y216 R217	Y216-E491 CarbonylContact C-O 3.54Å; Y216-E491 VanDerWaalsContact CA-O 3.25Å; Y216-E491 WeakPolarHBondContact CA-O 3.43Å; R217-E491 HydrophobicContact CG-CG 3.95Å; R217-E491 IonicContact CZ-OE1 2.97Å; R217-E491 VanDerWaalsContact CZ-OE1 3.28Å; R217-E491 PolarHBondContact N-O 2.93Å; R217-E491 IonicContact NE-OE1 2.88Å; R217-E491 PolarHBondContact NE-OE1 2.8Å; R217-E491 IonicContact NH2-OE1 3.91Å; R217-E491 PolarHBondContact NH2-OE1 2.81Å; R217-E491 PolarHBondContact O-N 2.98Å
492	L	98.5	Very high	93.3	Very high	88 Å²	88	75.9 Å²	75.9	46%	0.461	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	133	165.7	175.9	69.2	0	0	0	108.8	K214 Y216 P494	K214-L492 HydrophobicContact CB-CD1 4.2Å; Y216-L492 HydrophobicContact CD1-CB 4.22Å; Y216-L492 HydrophobicContact CD1-CD1 4.2Å; Y216-L492 HydrophobicContact CE1-CB 4.13Å; Y216-L492 HydrophobicContact CE1-CD1 3.8Å; L492-P494 WeakPolarHBondContact O-CD 3.36Å
493	V	98.3	Very high	93.1	Very high	11 Å²	11	75.2 Å²	75.2	7%	0.067	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	106.8	165.1	-168.2	0	0	0	0	107	V215 R217 D231 L235	V215-V493 HydrophobicContact CB-CB 4.2Å; V215-V493 HydrophobicContact CB-CG2 4.5Å; V215-V493 HydrophobicContact CG1-CB 4.15Å; V215-V493 HydrophobicContact CG1-CG2 3.98Å; V215-V493 PolarHBondContact O-N 3.06Å; R217-V493 HydrophobicContact CB-CG2 4.24Å; R217-V493 HydrophobicContact CG-CG2 3.6Å; D231-V493 HydrophobicContact CB-CG1 4.12Å; L235-V493 HydrophobicContact CD1-CG1 3.87Å; L235-V493 HydrophobicContact CD2-CB 4.38Å; L235-V493 HydrophobicContact CD2-CG1 4.13Å; L235-V493 WeakPolarHBondContact CD2-O 3.5Å; L235-V493 HydrophobicContact CG-CG1 4.11Å
494	P	97.1	Very high	92.8	Very high	92 Å²	92	71.1 Å²	71.1	60%	0.597	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-73.1	143.5	-173.3	29.8	-34.6	0	0	0	111.3	L235 L492	L235-P494 WeakPolarHBondContact CD1-O 2.99Å; L492-P494 WeakPolarHBondContact O-CD 3.36Å
495	Q	95.9	Very high	92.5	Very high	45 Å²	45	73.2 Å²	73.2	21%	0.21	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-63.8	148.4	162.6	-69.3	-68.2	-2.8	0	0	109.4	L235 T238 D497	L235-Q495 HydrophobicContact CD2-CG 4.38Å; L235-Q495 PolarHBondContact O-NE2 2.98Å; L235-Q495 VanDerWaalsContact O-NE2 3.15Å; T238-Q495 PolarHBondContact OG1-NE2 2.66Å; Q495-D497 PolarHBondContact O-N 2.85Å
496	P	91	Very high	92.2	Very high	50 Å²	50	77.8 Å²	77.8	33%	0.325	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-57.8	130.9	169.4	-20.6	32.4	0	0	0	110.4	Y152 A501	Y152-P496 HydrophobicContact CD1-CG 4.43Å; P496-A501 HydrophobicContact CB-CB 4.29Å; P496-A501 VanDerWaalsContact O-CB 3.28Å; P496-A501 WeakPolarHBondContact O-CB 3.37Å
497	D	87.6	Confident	91.6	Very high	158 Å²	158	75.1 Å²	75.1	85%	0.845	42%	0.423	S	S	*	.			trans	-121.1	8.3	-178	66	-14.5	0	0	0	112.8	Q495	Q495-D497 PolarHBondContact O-N 2.85Å
498	D	86.9	Confident	89.9	Confident	79 Å²	79	81.5 Å²	81.5	42%	0.422	45%	0.453	S	S	.	.	S	Bend	trans	-73.8	172.1	176.9	71.9	30.5	0	0	0	112.4	T500 A501	D498-T500 PolarHBondContact O-N 2.87Å; D498-T500 WeakPolarHBondContact OD1-CA 3.25Å; D498-T500 WeakPolarHBondContact OD1-CB 3.39Å; D498-T500 PolarHBondContact OD1-N 2.8Å; D498-T500 PolarHBondContact OD1-OG1 3.24Å; D498-A501 PolarHBondContact O-N 2.87Å
499	H	83	Confident	87.8	Confident	166 Å²	166	78.9 Å²	78.9	77%	0.769	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-19.2	179.6	69.6	-75.1	0	0	0	114.3	A501	H499-A501 VanDerWaalsContact C-N 3.3Å
500	T	82.1	Confident	85	Confident	56 Å²	56	81.4 Å²	81.4	34%	0.344	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-14.5	177.4	79.2	0	0	0	0	113	H150 D498	H150-T500 PolarHBondContact NE2-O 2.77Å; H150-T500 VanDerWaalsContact NE2-O 3.1Å; D498-T500 PolarHBondContact O-N 2.87Å; D498-T500 WeakPolarHBondContact OD1-CA 3.25Å; D498-T500 WeakPolarHBondContact OD1-CB 3.39Å; D498-T500 PolarHBondContact OD1-N 2.8Å; D498-T500 PolarHBondContact OD1-OG1 3.24Å
501	A	86	Confident	82.1	Confident	12 Å²	12	90.4 Å²	90.4	10%	0.099	49%	0.49	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-6.8	175	0	0	0	0	0	113.9	P496 D498 H499 C503	P496-A501 HydrophobicContact CB-CB 4.29Å; P496-A501 VanDerWaalsContact O-CB 3.28Å; P496-A501 WeakPolarHBondContact O-CB 3.37Å; D498-A501 PolarHBondContact O-N 2.87Å; H499-A501 VanDerWaalsContact C-N 3.3Å; A501-C503 PolarHBondContact O-N 3.27Å
502	A	88.8	Confident	79.1	Confident	71 Å²	71	92 Å²	92	59%	0.587	51%	0.506	S	S	*	.			trans	-59	122.6	-175.6	0	0	0	0	0	112.5
503	C	92.4	Very high	75.9	Confident	46 Å²	46	91 Å²	91	31%	0.311	52%	0.517	S	S	.	.			trans	-158.8	166.1	170.9	73.1	0	0	0	0	111.9	C153 A501	C153-C503 WeakPolarHBondContact CA-SG 3.44Å; C153-C503 HydrophobicContact CB-CB 3.69Å; C153-C503 WeakPolarHBondContact CB-SG 3.44Å; C153-C503 WeakPolarHBondContact SG-CB 3.5Å; C153-C503 CovalentContact SG-SG 2.03Å; C153-C503 PolarHBondContact SG-SG 2.83Å; A501-C503 PolarHBondContact O-N 3.27Å
504	T	90.1	Very high	72.5	Confident	99 Å²	99	95.4 Å²	95.4	61%	0.607	55%	0.549	S	S	*	.			trans	-105.5	112.6	169.8	-52.6	0	0	0	0	109.6	R506	T504-R506 PolarHBondContact O-N 2.7Å
505	C	91.1	Very high	69.4	Low	57 Å²	57	96.2 Å²	96.2	39%	0.385	56%	0.556	S	S	.	*			trans	-70.7	129	172.4	-173.5	0	0	0	0	110.3	C155	C155-C505 WeakPolarHBondContact CA-SG 3.32Å; C155-C505 HydrophobicContact CB-CB 3.56Å; C155-C505 WeakPolarHBondContact CB-SG 3.26Å; C155-C505 WeakPolarHBondContact SG-CA 3.16Å; C155-C505 WeakPolarHBondContact SG-CB 3.37Å; C155-C505 CovalentContact SG-SG 2.04Å; C155-C505 PolarHBondContact SG-SG 3.43Å
506	R	89.2	Confident	66.2	Low	147 Å²	147	103 Å²	103	56%	0.555	59%	0.586	S	S	*	*			trans	-120.9	4.3	179.2	-63.9	-174.6	170.6	-167.9	-4.7	112.5	P147 Y149 T504 E508	P147-R506 HydrophobicContact CG-CB 4.3Å; Y149-R506 WeakPolarHBondContact OH-CA 3.34Å; Y149-R506 WeakPolarHBondContact OH-CB 3.47Å; Y149-R506 PolarHBondContact OH-N 3.38Å; T504-R506 PolarHBondContact O-N 2.7Å; R506-E508 PolarHBondContact O-N 2.92Å
507	R	84.2	Confident	63.4	Low	43 Å²	43	108 Å²	108	16%	0.162	61%	0.609	C	S	.	*	S	Bend	trans	-67.7	117.6	167.6	-69.4	-179.2	172.6	170.1	-11.8	106.9	D55 Y149 C155 E157 K240 G509	D55-R507 IonicContact OD1-NH2 2.88Å; D55-R507 PolarHBondContact OD1-NH2 2.97Å; Y149-R507 HydrophobicContact CE2-CG 4.24Å; C155-R507 WeakPolarHBondContact O-CD 3.37Å; C155-R507 PolarHBondContact O-NH1 2.86Å; E157-R507 VanDerWaalsContact N-NH1 3.18Å; E157-R507 IonicContact OE2-NE 2.84Å; K240-R507 PolarHBondContact O-NH1 3.48Å; R507-G509 PolarHBondContact O-N 2.85Å
508	E	59.6	Low	60.9	Low	174 Å²	174	109.3 Å²	109.3	81%	0.813	61%	0.61	S	S	*	*			trans	-64.3	111.3	178.2	-70.7	-173.8	167.3	0	0	108.3	R506 N510	R506-E508 PolarHBondContact O-N 2.92Å; E508-N510 PolarHBondContact O-N 2.99Å; E508-N510 VanDerWaalsContact O-N 3.1Å
509	G	50.8	Low	58.2	Low	59 Å²	59	117.5 Å²	117.5	61%	0.608	65%	0.653	S	S	*	*			trans	-65.1	111.8	164	0	0	0	0	0	107.2	R507 K511	R507-G509 PolarHBondContact O-N 2.85Å; G509-K511 PolarHBondContact O-N 2.75Å
510	N	36.3	Very low	56.9	Low	143 Å²	143	115.1 Å²	115.1	77%	0.765	65%	0.647	S	S	*	*			trans	-57.7	87.1	159.2	-95.6	-22.1	0	0	0	107.3	E508 T512	E508-N510 PolarHBondContact O-N 2.99Å; E508-N510 VanDerWaalsContact O-N 3.1Å; N510-T512 PolarHBondContact O-N 3.07Å
511	K	37.1	Very low	55.6	Low	200 Å²	200	118.2 Å²	118.2	87%	0.87	66%	0.663	S	S	*	*			trans	-64.6	94.6	160.9	-73.8	-176.2	178.7	178.8	0	104.8	G509 G513	G509-K511 PolarHBondContact O-N 2.75Å; K511-G513 PolarHBondContact O-N 2.93Å; K511-G513 VanDerWaalsContact O-N 3.15Å
512	T	35.6	Very low	53.9	Low	135 Å²	135	124.1 Å²	124.1	83%	0.828	69%	0.694	S	S	*	*			trans	-47.2	123.3	165.6	34.6	0	0	0	0	107.9	N510 S514	N510-T512 PolarHBondContact O-N 3.07Å; T512-S514 PolarHBondContact O-N 3.18Å
513	G	29.7	Very low	51.9	Low	67 Å²	67	127.2 Å²	127.2	69%	0.691	70%	0.7	S	S	*	*			trans	-53.9	131.5	-173.5	0	0	0	0	0	111.1	K511 S515	K511-G513 PolarHBondContact O-N 2.93Å; K511-G513 VanDerWaalsContact O-N 3.15Å; G513-S515 PolarHBondContact O-N 3.25Å
514	S	28.1	Very low	49.3	Very low	105 Å²	105	132.3 Å²	132.3	73%	0.734	73%	0.725	S	S	*	*			trans	-58.6	97.9	152.1	172.1	0	0	0	0	106.7	T512 K516	T512-S514 PolarHBondContact O-N 3.18Å; S514-K516 PolarHBondContact O-N 2.91Å
515	S	31	Very low	46.6	Very low	108 Å²	108	134.5 Å²	134.5	76%	0.755	73%	0.733	S	S	*	*			trans	-62.7	88.2	158.6	37.2	0	0	0	0	107.8	G513 N517	G513-S515 PolarHBondContact O-N 3.25Å; S515-N517 PolarHBondContact O-N 3.35Å; S515-N517 VanDerWaalsContact O-N 3.08Å
516	K	29.8	Very low	43.4	Very low	189 Å²	189	140 Å²	140	82%	0.822	76%	0.757	S	S	*	*			trans	-71.4	86.8	153.9	-79.4	-171	174.2	-174.1	0	107.7	S514	S514-K516 PolarHBondContact O-N 2.91Å
517	N	31.8	Very low	39.9	Very low	154 Å²	154	139.5 Å²	139.5	82%	0.824	77%	0.773	S	S	*	*			trans	-93	93	152.8	-92.2	-0.5	0	0	0	107.3	S515	S515-N517 PolarHBondContact O-N 3.35Å; S515-N517 VanDerWaalsContact O-N 3.08Å
518	E	34.6	Very low	36.2	Very low	185 Å²	185	147.5 Å²	147.5	86%	0.864	82%	0.824	S	S	*	*			trans	-147	97.6	152.1	-79.5	-167.6	161.3	0	0	107.8
519	L	30.2	Very low	34.1	Very low	251 Å²	251	145.1 Å²	145.1	100%	1.314	83%	0.825	S	S	*	*			trans	-165.5	0	135	-106.3	150.9	0	0	0	109.4

Retrieved 519 of 519 residues in 381.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).